# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T01:27:52+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b c a' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000047","18.25099","0.004","8.814","0.001","5.181","0.001","90","","90","","90","","833.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimagnesium catena-disilicate","Enstatite","- Mg2 O6 Si2 -","- Mg2 O6 Si2 -","- Mg16 O48 Si16 -","8","1","","Yang, H X; Ghose, S","High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K","Physics and Chemistry of Minerals (Germany)","1995","22","","300","310","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000079","6.755","0.0003","9.1026","0.0004","17.0808","0.0006","90","","90","","90","","1050.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium dioxovanadium hydrogenphosphate","","- H K O6 P V -","- H K O6 P V -","- H8 K8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000080","6.8064","0.0006","9.2567","0.0007","17.732","0.002","90","","90","","90","","1117.2","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium dioxovanadium hydrogenphosphate","","- H5 N O6 P V -","- H5 N O6 P V -","- H40 N8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000081","6.8182","0.0008","9.291","0.001","17.631","0.002","90","","90","","90","","1116.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rubidium dioxovanadium hydrogenphosphate","","- H O6 P Rb V -","- H O6 P Rb V -","- H8 O48 P8 Rb8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000099","7.416","0.004","13.082","0.007","9.483","0.005","90","","90","","90","","920","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cobalt phosphinate chloride hydrate","","- Cl Co H4 O3 P -","- Cl Co H4 O3 P -","- Cl8 Co8 H32 O24 P8 -","8","1","","Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A","Layer structure of (CoCl(H~2~PO~2~)) . H~2~O","Acta Crystallographica C (39,1983-)","1991","47","","1152","1155","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000133","5.0036","0.0003","10.6073","0.0007","11.7223","0.0008","90","","90","","90","","622.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Palladium nitrate(V) dihydrate","","- H4 N2 O8 Pd -","- H4 N2 O8 Pd -","- H16 N8 O32 Pd4 -","4","0.5","","Laligant, Y; Ferey, G; Le Bail, A","Crystal structure of Pd (N O3)2 (H2 O)2","Materials Research Bulletin","1991","26","","269","275","10.1016/0025-5408(91)90021-D","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000282","7.647","0.003","15.414","0.007","18.994","0.008","90","","90","","90","","2238.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diammonium catena-tetramolybdate","","- H8 Mo4 N2 O13 -","- H16 Mo4 N2 O13 -","- H128 Mo32 N16 O104 -","8","1","","Benchrifa, R; Leblanc, M; De Pape, R","Synthesis and crystal structure of two polymorphs of (NH~4~)~2~Mo~4~O~13~, orthorhombic (o) and triclinic (t)","European Journal of Solid State Inorganic Chemistry","1989","26","","593","601","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000362","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Disodium europium carbonate trifluoride","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, N; Leblanc, M","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica C (39,1983-)","1994","50","","1864","1865","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000505","9.926","0.0001","8.6189","0.0001","9.7622","0.0001","90","","90","","90","","835.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gallium phosphate(V) dihydrate","","- Ga H4 O6 P -","- Ga H8 O6 P -","- Ga8 H64 O48 P8 -","8","1","","Loiseau, T; Paulet, C; Ferey, G","Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite","C. R. Acad. Sci. Paris, T. 1, Serie II","1998","1","","667","674","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001019","9.052","0.004","6.676","0.005","19.797","0.006","90","","90","","90","","1196.4","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Calcium chloride nitrate dihydrate","","- Ca Cl H4 N O5 -","- Ca Cl H4 N O5 -","- Ca8 Cl8 H32 N8 O40 -","8","1","","Leclaire, A; Borel, M M","Identification et structure du chlorure nitrate de calcium dihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","902","904","10.1107/S056774087800429X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001135","12.89","0.002","12.725","0.002","12.654","0.003","90","","90","","90","","2075.6","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cadmium phosphide iodide (4/2/3)","","- Cd4 I3 P2 -","- Cd4 I3 P2 -","- Cd32 I24 P16 -","8","1","","Rebbah, A; Yazbeck, J; Deschanvres, A","Structure de Cd~4~ P~2~ I~3~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1747","1749","10.1107/S0567740880007157","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001644","9.676","0.002","14.366","0.002","28.39099","0.005","90","","90","","90","","3946.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tripotassium tetramolybdo(V)pentaphosphate(V)","","- K3 Mo4 O24 P5 -","- K3 Mo4 O24 P5 -","- K24 Mo32 O192 P40 -","8","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Mo(V) monophosphate with a tunnel structure: K3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","61","65","10.1006/jssc.1995.1009","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001813","22.181","0.002","11.564","0.001","9.548","0.001","90","","90","","90","","2449.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dipotassium tecto-divanado(IV)tetraphosphate(V)","","- K2 O15 P4 V2 -","- K2 O15 P4 V2 -","- K16 O120 P32 V16 -","8","1","","Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B","A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13","Journal of Solid State Chemistry","1997","132","","41","46","10.1006/jssc.1997.7404","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004016","8.131","0.003","9.258","0.005","18.084","0.007","90","","90","","90","","1361.31","","","","","","","","","","","","","4","P b c a","","61","","Strontium Hydrogenphosphate(V) - Gamma","","- H O4 P Sr -","- H O4 P Sr -","- H16 O64 P16 Sr16 -","16","2","","Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V.","Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form","Journal of Solid State Chemistry","2000","152","2","428","434","10.1006/jssc.2000.8700","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186631","2020-10-21","18:00:00",""
"1004151","7.557","0.003","11.925","0.006","14.734","0.019","90","","90","","90","","1327.8","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Thallium pentaborate","","- B5 O8 Tl -","- B5 O8 Tl -","- B40 O64 Tl8 -","8","1","","Touboul, M; Nowogrocki, G","Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8","Journal of Solid State Chemistry","1998","136","","216","220","10.1006/jssc.1997.7682","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005022","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","Corrigendum to ""New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl""","Journal of Alloys Compd.","1996","235","","133","134","10.1016/0925-8388(95)02134-5","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005025","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexacachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl","Journal of Alloys Compd.","1994","206","","95","101","10.1016/0925-8388(94)90015-9","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007005","12.199","0.005","13.047","0.005","10.537","0.005","90","","90","","90","","1677.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dilithium ammonium catena-phosphate","","- H4 Li2 N O9 P3 -","- H4 Li2 N O9 P3 -","- H32 Li16 N8 O72 P24 -","8","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline du polyphosphate de lithium-ammonium, Li~2~ N H~4~ (P O~3~)~3~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2440","2443","10.1107/S0567740876007930","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007031","9.607","0.004","13.7","0.01","7.037","0.003","90","","90","","90","","926.2","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cadmium catena-phosphate","","- Cd O6 P2 -","- Cd O6 P2 -","- Cd8 O48 P16 -","8","1","","Bagieu-Beucher, M; Guitel, J C; Tordjman, I; Durif, A","Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1974","97","","481","484","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007100","18.82","0.004","10.89","0.03","13.925","0.003","90","","90","","90","","2853.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Silver divanadate","","- Ag4 O7 V2 -","- Ag4 O7 V2 -","- Ag64 O112 V32 -","16","2","","Masse, R; Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag~4~ V~2~ O~7~","Acta Crystallographica C (39,1983-)","1983","39","","1608","1610","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008059","7.911","0.002","7.861","0.001","18.092","0.003","90","","90","","90","","1125.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium antimony trifluoride nitrate","","- F3 K N O3 Sb -","- F3 K N O3 Sb -","- F24 K8 N8 O24 Sb8 -","8","1","","Bourgault, M; Ducourant, M B; Mascherpa Corral, D; Fourcade, R","Structure cristalline et moleculaire de K Sb F~3~ N O~3~","Journal of Fluorine Chemistry","1981","17","","215","224","10.1016/S0022-1139(00)81284-1","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008120","18.18","0.01","11.505","0.007","5.66","0.003","90","","90","","90","","1183.9","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sodium antimony trifluoride nitrate hydrate","","- F3 H2 N Na O4 Sb -","- F3 H2 N Na O4 Sb -","- F24 H16 N8 Na8 O32 Sb8 -","8","1","","Bourgault, M; Ducourant, B; Mascherpa Corral, D; Fourcade, R","Structure cristalline de Na Sb F~3~ (N O~3~) (H~2~ O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O~3~) )","Journal of Fluorine Chemistry","1981","17","","305","315","10.1016/S0022-1139(00)81777-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008177","15.576","0.003","6.923","0.003","11.416","0.003","90","","90","","90","","1231","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Copper(I) 1,2dithiooxalicacidamide chloride","","- C2 H4 Cl Cu N2 S2 -","- C2 H4 Cl Cu N2 S2 -","- C16 H32 Cl8 Cu8 N16 S16 -","8","1","","Mosset, A; Abboudi, M; Galy, J","Etude structurale, par diffraction des rayons X, du rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)","Zeitschrift fuer Kristallographie (149,1979-)","1983","164","","181","188","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008316","7.33","","7.05","","14.35","","90","","90","","90","","741.6","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cerium sulfide iodide - $-alpha","","- Ce I S -","- Ce I S -","- Ce8 I8 S8 -","8","1","","Beck, H P; Strobel, C","Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","229","239","10.1002/zaac.19865350427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010810","7.82","0.02","6.46","0.03","16.04","0.08","90","","90","","90","","810.3","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Cadmium azide","","- Cd N6 -","","","8","1","","Bassiere, M","Sur la structure de l'azoture de cadmium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","204","","1573","1574","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011018","18.15999","","8.84","","5.19","","90","","90","","90","","833.2","","","","","","","","","","","","from Chichi-jima, Bonin Islands","4","P b c a","-P 2ac 2ab","61","","Magnesium iron silicate *","Enstatite ferroan","- Fe0.155 Mg0.845 O3 Si -","- Fe0.155 Mg0.845 O3 Si -","- Fe2.48 Mg13.52 O48 Si16 -","16","2","","Takané, Katsutashi","Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands","Proceedings of the Imperial Academy (Tokyo)","1932","8","7","308","311","10.2183/pjab1912.8.308","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011238","18.2","","8.86","","5.2","","90","","90","","90","","838.5","","","","","","","","","","","","from Mt. Dore, Auvergne, France","4","P b c a","-P 2ac 2ab","61","","Magnesium iron(II) silicate *","Hypersthene","- Fe0.3 Mg0.7 O3 Si -","- Fe0.3 Mg0.7 O3 Si -","- Fe4.8 Mg11.2 O48 Si16 -","16","2","","Warren, B E; Modell, D I","The Structure of Enstatite, Mg Si O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011268","9.75","0.01","12.204","0.02","4.429","0.01","90","","90","","90","","527","","","","","","","","","","","","from Langesundfjord, Norway","4","P b c a","-P 2ac 2ab","61","","Diberyllium borate hydroxide","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Zachariasen, W H","The crystalline structure of Hambergite Be2 B O3 (O H)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","289","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1100120","6.6226","0.0006","11.494","0.002","9.021","0.002","90","","90","","90","","686.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium Cobalt Dicarbonate Difluoride","","- C2 Ba2 Co F2 O6 -","- C2 Ba2 Co F2 O6 -","- C8 Ba8 Co4 F8 O24 -","4","0.5","","Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M.","Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~","Solid State Sciences","2002","4","4","503","506","10.1016/S1293-2558(02)01274-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100165","7.543","0.0008","13.1384","0.0012","17.2599","0.001","90","","90","","90","","1710.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one-N3)zinc(II) tetrah","","- C10 H18 N8 O8 Zn -","- C10 H18 N8 O8 Zn -","- C40 H72 N32 O32 Zn4 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","743","747","10.1016/j.poly.2003.11.052","","","0.71073","MoKα","","0.1402","0.0872","","","0.2186","0.276","","","","","","1.025","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100204","12.736","0.004","11.488","0.003","13.02","0.003","90","","90","","90","","1904.97","","","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aminotriethylphosphonium chloride","","- C6 H17 Cl N P -","- C6 H17 Cl N P -","- C48 H136 Cl8 N8 P8 -","8","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","4.19","","","4.19","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100283","14.462","0.002","17.405","0.001","17.299","0.002","90","","90","","90","","4354.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Cl N4 O3 -","- C23 H29 Cl N4 O3 -","- C184 H232 Cl8 N32 O24 -","8","1","","Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F.","Structure of an indolochinolizine derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1665","1667","10.1107/S0108270186091023","","","","","","","","","","","","","","","","","","","","","has coordinates","176919","2020-10-21","18:00:00",""
"1100285","8.745","0.002","33.451","0.005","8.845","0.002","90","","90","","90","","2587.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O4 S -","- C12 H18 O4 S -","- C96 H144 O32 S8 -","8","1","","Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F.","Structure of a cycloheptenone derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1662","1663","10.1107/S0108270186091047","","","","","","","","","","","","","","","","","","","","","has coordinates","176917","2020-10-21","18:00:00",""
"1100365","14.715","0.001","15.43","0.001","15.029","0.001","90","","90","","90","","3412.37","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H29 N3 O4 -","- C14 H29 N6 O4 -","- C112 H232 N48 O32 -","8","1","","Reetz, Manfred T.; Bingel, Carsten; Harms, Klaus","Structure of carbanions having carbocations as counterions","Journal of the Chemical Society, Chemical Communications","1993","","20","1558","1560","10.1039/c39930001558","","","","","","","","","","","","","","","","","","","","","has coordinates","177464","2020-10-21","18:00:00",""
"1100378","8.01","0.001","14.74","0.002","22.811","0.002","90","","90","","90","","2693.24","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 I O3 -","- C13 H15 I O3 -","- C104 H120 I8 O24 -","8","1","","Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus","A phenyl-assisted asymmetric iodolactonisation reaction","Tetrahedron Letters","1994","35","34","6263","6266","10.1016/s0040-4039(00)73407-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176938","2020-10-21","18:00:00",""
"1100391","12.026","0.001","12.242","0.001","17.667","0.001","90","","90","","90","","2600.98","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl2 N P Ti -","- C13 H19 Cl2 N P Ti -","- C104 H152 Cl16 N8 P8 Ti8 -","8","1","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100392","11.405","0.002","11.122","0.003","15.894","0.003","90","","90","","90","","2016.1","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl6 N2 P2 Ti2 -","- C12 H36 Cl12 N4 P4 Ti4 -","- C48 H144 Cl48 N16 P16 Ti16 -","4","0.5","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100399","12.265","","14.544","","32.444","","90","","90","","90","","5787.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Li2 N2 O4 S2 -","- C22 H40 Li2 N2 O4 S2 -","- C176 H320 Li16 N16 O32 S16 -","8","1","","Boche, Gernot; Hilf, Christof; Harms, Klaus; Marsch, Michael; Lohrenz, John C. W.","Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium: Carbene Character of a Formyl Anion Equivalent","Angewandte Chemie, International Edition in English","1995","34","4","487","489","10.1002/anie.199504871","","","","","","","","","","","","","","","","","","","","","has coordinates","177009","2020-10-21","18:00:00",""
"1100447","10.4707","0.001","17.0026","0.001","27.9321","0.0002","90","","90","","90","","4972.73","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl I P -","- C27 H23 Cl I P -","- C216 H184 Cl8 I8 P8 -","8","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Kristallstruktur von [PMePh~3~][Cl-1-C≡C-Ph] / Crystal Structure of [PMePh~3~][Cl-I-C≡C-Ph]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","","52","6","772","772","10.1515/znb-1997-0618","","","","","","","","","","","","","","","","","","","","","has coordinates","177081","2020-10-21","18:00:00",""
"1100473","12.695","0.001","11.387","0.001","14.703","0.002","90","","90","","90","","2125.44","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B2 Cl4 N2 P2 -","- C24 H60 B4 Cl8 N4 P4 -","- C96 H240 B16 Cl32 N16 P16 -","4","0.5","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100474","13.093","0.002","16.198","0.004","24.107","0.004","90","","90","","90","","5112.62","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B3 Cl7 N2 P2 -","- C12 H30 B3 Cl7 N2 P2 -","- C96 H240 B24 Cl56 N16 P16 -","8","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100486","14.206","0.001","14.839","0.001","16.22","0.001","90","","90","","90","","3419.22","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H42 Cl8 N2 P2 Ta2 -","- C42 H112 Cl16 N4 P4 Ta4 -","- C168 H448 Cl64 N16 P16 Ta16 -","4","0.5","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100509","18.003","0.001","14.474","0.001","28.384","0.001","90","","90","","90","","7396.17","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H74 B2 P2 -","- C33 H78 B2 P2 -","- C264 H624 B16 P16 -","8","1","","Graf, Claus-Dieter; Malan, Christophe; Harms, Klaus; Knochel, Paul","New Homochiral Ligands Bearing Nonstereogenic Chirotopic Centers. Lithiated N,N'-Dialkylureas as Chiral Bases and Sterically Crowded Phosphines for Asymmetric Catalysis","Journal of Organic Chemistry","1999","64","15","5581","5588","10.1021/jo990412u","","","","","","","","","","","","","","","","","","","","","has coordinates","177997","2020-10-21","18:00:00",""
"1100542","21.06","0.004","15.668","0.003","24.458","0.004","90","","90","","90","","8070.36","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H48 Br2 Cl8 F12 I6 P2 -","- C76 H48 Br2 Cl8 F16 I8 P2 -","- C304 H192 Br8 Cl32 F64 I32 P8 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100544","12.105","0.005","14.29","0.006","24.703","0.012","90","","90","","90","","4273.14","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F12 I8 N2 -","- C32 H24 F16 I10 N2 -","- C128 H96 F64 I40 N8 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100587","19.8876","0.001","20.0341","0.001","23.7074","0.001","90","","90","","90","","9445.74","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H73 Br Mg O5 Zn -","- C47 H72 Br Mg O5 Zn -","- C376 H576 Br8 Mg8 O40 Zn8 -","8","1","","Krieger, Matthias; Geiseler, Gertraud; Harms, Klaus; Merle, Jan; Massa, Werner; Dehnicke, Kurt","Die Kristallstrukturen der Triarylzinkate [Mg~2~Br~3~(THF)~6~][ZnPh~3~] und [MgBr(THF)~5~][ZnMes~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1387","1388","10.1002/(sici)1521-3749(199809)624:9<1387::aid-zaac1387>3.0.co;2-m","","","","","","","","","","","","","","","","","","","","","has coordinates","177973","2020-10-21","18:00:00",""
"1100591","13.613","0.001","16.073","0.001","22.718","0.001","90","","90","","90","","4970.74","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H36 O S -","- C30 H36 O S -","- C240 H288 O8 S8 -","8","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"1100597","27.372","0.006","19.889","0.004","28.579","0.006","90","","90","","90","","15558.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 N3 P3 Y2 -","- C90 H60 N3 P3 Y2 -","- C720 H480 N24 P24 Y16 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100598","27.35","0.003","19.872","0.002","28.578","0.004","90","","90","","90","","15532.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 Dy2 N3 P3 -","- C90 H84 Dy2 N3 P3 -","- C720 H672 Dy16 N24 P24 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100599","27.333","0.007","19.811","0.008","28.511","0.008","90","","90","","90","","15438.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 Er2 N3 P3 -","- C90 H84 Er2 N3 P3 -","- C720 H672 Er16 N24 P24 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100635","27.276","0.0019","19.7754","0.001","28.4888","0.0017","90","","90","","90","","15366.7","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 N3 P3 Yb2 -","- C90 H84 N3 P3 Yb2 -","- C720 H672 N24 P24 Yb16 -","8","1","","Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.","Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1853","1859","10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","177956","2020-10-21","18:00:00",""
"1100649","15.625","0.004","23.028","0.006","7.685","0.002","90","","90","","90","","2765","1","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 F3 N3 -","- C15 H14 F3 N3 -","- C120 H112 F24 N24 -","8","1","","Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai","Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x1","x2","10.2116/analscix.19.x1","","","0.7107","MoKα","","","0.0486","","","","0.0701","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100664","5.882","0.0005","12.104","0.0005","30.58","0.003","90","","90","","90","","2177.2","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S.","Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x29","x30","10.2116/analscix.19.x29","","x-ray","0.71073","MoKα","","0.0786","0.059","","","0.1965","0.2227","","","","","","1.057","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100684","6.3805","0.0005","15.624","0.001","24.778","0.002","90","","90","","90","","2470","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio","Crystal Structure of 1,4-Dimethoxyanthracene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x69","x70","10.2116/analscix.19.x69","","","0.7107","MoKα","","","0.0711","","","","0.1573","","","","","","1.772","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100770","8.798","0.0013","10.1982","0.0015","17.945","0.003","90","","90","","90","","1610.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N Ni O5 P -","- C6 H8 N Ni O5 P -","- C48 H64 N8 Ni8 O40 P8 -","8","1","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.1099","0.0541","","","0.0834","0.0958","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100831","17.2772","0.0001","18.3213","0.0002","18.6586","0.0002","90","","90","","90","","5906.21","0.1","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Au N -","- C32 H46 Au N -","- C256 H368 Au8 N8 -","8","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0426","0.04","","","0.1229","0.126","","","","","","1.081","","","","has coordinates","282633","2023-04-14","12:40:14",""
"1100850","22.027","0.003","12.4145","0.0014","23.813","0.003","90","","90","","90","","6511.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H43.84 B5 Cl3 Ru2 S -","- C24.5 H38 B5 Cl3 Ru2 S -","- C196 H304 B40 Cl24 Ru16 S8 -","8","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0372","0.0348","","","0.1026","0.1041","","","","","","1.163","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100961","17.9931","0.0005","15.2837","0.0004","20.2132","0.0006","90","","90","","90","","5558.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Fe P2 -","- C28 H46 Fe P2 -","- C224 H368 Fe8 P16 -","8","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0536","0.036","","","0.0799","0.0881","","","","","","1.054","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1101053","7.5479","0.0015","15.391","0.003","18.527","0.004","90","","90","","90","","2152.3","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","potassium tetramolybdate","","","- K2 Mo4 O13 -","- K2 Mo4 O13 -","- K16 Mo32 O104 -","8","1","","Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham","","Journal of Solid State Chemistry","","","","","","","","","0.71073","MoKα","","0.0344","0.0297","","","0.0764","0.0797","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101073","10.2473","0.0005","16.1318","0.0008","16.2087","0.0012","90","","90","","90","","2679.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cu2 N16 O8 -","- C20 H20 Cu2 N16 O8 -","- C80 H80 Cu8 N64 O32 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez","","European Journal of Inorganic Chemistry","2002","","","811","818","","","","","","","","0.1138","","","0.1913","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101084","15.468","0.006","20.652","0.01","25.162","0.005","90","","90","","90","","8038","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Cl2 N12 O12 Pd2 -","- C34 H22 Cl2 N12 O12 Pd2 -","- C272 H176 Cl16 N96 O96 Pd16 -","8","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.2782","0.1483","","","0.2413","0.2882","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101123","14.045","0.001","11.749","0.0007","19.701","0.002","90","","90","","90","","3251","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl2 Cu N4 O4 -","- C10 H16 Cl2 Cu N4 O4 -","- C80 H128 Cl16 Cu8 N32 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0415","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101130","15.2488","0.0012","15.238","0.0015","21.563","0.002","90","","90","","90","","5010.5","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Au Br4 N8 Na O4 -","- C16 H16 Au Br4 N8 Na O4 -","- C128 H128 Au8 Br32 N64 Na8 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives","Journal of Chemical Cristallography","1998","28","7","565","570","10.1023/A:1023252324268","","","","","","","0.0533","","","0.1001","","","","","","","","","","","has coordinates","174850","2020-10-21","18:00:00",""
"1200001","15.9407","0.0015","9.1737","0.001","19.015","0.002","90","","90","","90","","2780.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C112 H136 N8 O32 S8 -","8","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0404","0.0327","","","0.0939","0.098","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1500007","18.6201","0.001","12.0872","0.0006","24.0877","0.0012","90","","90","","90","","5421.3","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C64 H256 Br32 Cd8 Cl32 Co16 N64 -","8","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~","Journal of Molecular Structure","2006","794","","341","347","10.1016/j.molstruc.2006.02.053","","","0.71073","MoKα","","0.0973","0.0727","","","0.2214","0.2409","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500011","14.9599","0.0007","19.0064","0.0009","23.4883","0.0011","90","","90","","90","","6678.5","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl2 Co N9 O12 -","- C24 H18 Cl2 Co N9 O12 -","- C192 H144 Cl16 Co8 N72 O96 -","8","1","","Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito","Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity","Journal of Inorganic Biochemistry","2008","102","","1677","1683","10.1016/j.jinorgbio.2008.04.004","","","0.71073","MoKα","","0.1015","0.0713","","","0.2027","0.2247","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500019","9.4668","0.0007","8.8177","0.0006","25.9413","0.0018","90","","90","","90","","2165.5","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","","Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0584","0.0467","","","0.1264","0.1347","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1500040","16.33228","0.00018","16.2155","0.0003","7.24228","0.00009","90","","90","","90","","1918.02","0.05","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Silver(I) complex of 2,2-Dimethyl-1,3-Diisocyano Propane","","- C7 H10 Ag Cl N2 -","- C7 H10 Ag Cl N2 -","- C56 H80 Ag8 Cl8 N16 -","8","1","","Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K.","Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand","Pol.J.Chem.","2008","82","","547","557","","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","2.9758","1.85","","","","","","","has coordinates","190405","2020-10-21","18:00:00",""
"1501558","7.6138","0.0009","16.0573","0.0019","19.894","0.002","90","","90","","90","","2432.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Ag F3 O2 S2 -","- C7 H12 Ag F2.925 O2 S2 -","- C56 H96 Ag8 F23.4 O16 S16 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.1477","0.0722","","","0.1666","0.2064","","","","","","0.923","","","","has coordinates,has disorder","256942","2020-10-21","18:00:00",""
"1501708","11.0859","0.0001","13.0805","0.0001","15.8132","0.0002","90","","90","","90","","2293.06","0.04","183","2","183","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C80 H104 N24 O16 S8 -","8","1","","Farrugia, Louis J.; Khalaji, Aliakbar Dehno","Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone.","The journal of physical chemistry. A","2011","115","45","12512","12522","10.1021/jp2026169","","x-ray","0.71073","MoKα","","0.036","0.022","","","","0.024","","","","","","1.394","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501759","16.138","0.003","7.0036","0.0012","22.75","0.004","90","","90","","90","","2571.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N6 O4 -","- C10 H16 N6 O4 -","- C80 H128 N48 O32 -","8","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0743","0.0477","","","0.1118","0.1258","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501785","14.606","0.0003","12.1974","0.0003","20.733","0.0004","90","","90","","90","","3693.69","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H11 Cl2 N2 Ti -","- C20 H11 Cl2 N2 Ti -","- C160 H88 Cl16 N16 Ti8 -","8","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0382","","","","0.1054","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501850","15.338","0.003","13.793","0.002","15.4883","0.0017","90","","90","","90","","3276.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N4 Ni -","- C44 H40 N4 Ni -","- C176 H160 N16 Ni4 -","4","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0618","0.0377","","","0.1023","0.1105","","","","","","0.786","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501862","14.2119","0.0002","16.668","0.0002","18.1682","0.0003","90","","90","","90","","4303.75","0.11","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","0.71073","MoKα","","0.0741","0.0531","","","0.1168","0.1305","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501881","18.5834","0.0007","25.3538","0.0009","32.657","0.0012","90","","90","","90","","15386.7","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C744 H648 N72 O72 -","24","3","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.06","0.0365","","","0.073","0.0804","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501969","10.9327","0.0005","19.6472","0.0009","27.9312","0.0012","90","","90","","90","","5999.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H38 Cl N O2 -","- C35 H38 Cl N O2 -","- C280 H304 Cl8 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.1328","0.0524","","","0.0901","0.1139","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502038","15.6502","0.0011","13.1606","0.001","37.823","0.003","90","","90","","90","","7790.3","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C384 H352 N32 O48 -","16","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1569","0.0718","","","0.1987","0.2572","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502065","7.3583","0.0001","20.2268","0.0004","28.3714","0.0005","90","","90","","90","","4222.65","0.13","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H20 N2 S -","- C27 H20 N2 S -","- C216 H160 N16 S8 -","8","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.71075","MoKα","","","0.0667","","","","0.133","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502084","11.542","0.002","12.157","0.003","15.623","0.003","90","","90","","90","","2192.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.085","0.055","","","0.1507","0.1688","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502086","19.6684","0.0017","6.0152","0.0005","26.14","0.002","90","","90","","90","","3092.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 O -","- C18 H26 O -","- C144 H208 O8 -","8","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","0.71073","MoKα","","0.0694","0.0525","","","0.1434","0.1573","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502090","8.2616","0.0008","18.2223","0.0016","34.406","0.004","90","","90","","90","","5179.7","0.9","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-tosyl-6-(4-(trifluoromethyl)phenyl)-8-(trimethylsilyl)-1,2,3,4-tetrahydro-1,7-naphthyridine","","- C25 H27 F3 N2 O2 S Si -","- C25 H27 F3 N2 O2 S Si -","- C200 H216 F24 N16 O16 S8 Si8 -","8","1","","Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent","Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines.","Organic letters","2011","13","8","2030","2033","10.1021/ol200417p","","","0.71073","MoKα","","0.0738","0.0626","","","0.1628","0.1761","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502119","13.2943","0.0007","7.4099","0.0004","27.6216","0.0014","90","","90","","90","","2721","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 -","- C16 H17 N3 -","- C128 H136 N24 -","8","1","","Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam","Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles.","Organic letters","2011","13","8","2102","2105","10.1021/ol200523a","","","0.71073","MoKα","","0.0952","0.0497","","","0.1191","0.1369","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502379","14.934","0.0002","9.5657","0.0001","17.7739","0.0002","90","","90","","90","","2539.08","0.05","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 N4 O2 -","- C11 H10 Br2 N4 O2 -","- C88 H80 Br16 N32 O16 -","8","1","","Hewlett, Nicole M.; Tepe, Jetze J.","Total synthesis of the natural product (±)-dibromophakellin and analogues.","Organic letters","2011","13","17","4550","4553","10.1021/ol201741r","","x-ray","1.54178","CuKα","","0.0355","0.0337","","","0.0814","0.0826","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502387","12.771","0.002","9.914","0.0017","18.545","0.003","90","","90","","90","","2348","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.0772","0.0477","","","0.1321","0.1717","","","","","","0.965","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502458","9.2396","0.0001","14.8406","0.0002","27.0972","0.0003","90","","90","","90","","3715.6","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0764","0.0446","","0.1409","0.1044","0.1409","","","","","","0.9789","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502473","13.1485","0.0016","16.858","0.002","25.981","0.003","90","","90","","90","","5758.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N2 O2 S -","- C34 H34 N2 O2 S -","- C272 H272 N16 O16 S8 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.159","0.0697","","","0.1677","0.1999","","","","","","0.853","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502474","15.4711","0.0009","9.7718","0.0006","39.174","0.002","90","","90","","90","","5922.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Br2 N O4 -","- C31 H37 Br2 N O4 -","- C248 H296 Br16 N8 O32 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.0589","0.0388","","","0.084","0.0939","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502561","10.1514","0.0005","18.0417","0.0011","18.4086","0.001","90","","90","","90","","3371.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.0397","0.0313","","","0.0783","0.0831","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502595","7.889","0.0016","17.297","0.004","22.433","0.005","90","","90","","90","","3061.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi","Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes.","Organic letters","2011","13","24","6390","6393","10.1021/ol202691b","","","0.71073","MoKα","","0.0498","0.0393","","","0.1068","0.1103","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502613","7.8221","0.0005","14.5983","0.0008","27.4837","0.0016","90","","90","","90","","3138.3","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.057","0.0372","","","0.0912","0.1007","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502638","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502675","8.0067","0.0008","7.9511","0.0008","9.2216","0.0009","90","","90","","90","","587.07","0.1","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonia Trifluoroborane","","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter","Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.","The journal of physical chemistry. A","2010","114","37","10185","10196","10.1021/jp100995n","","","0.71073","MoKα","","0.024","0.014","","","","0.031","0.029","","","","","2.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502729","11.0135","0.0002","10.1491","0.0002","19.8528","0.0003","90","","90","","90","","2219.09","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0477","0.0401","","","0.0972","0.103","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502760","11.408","0.002","25.189","0.005","28.093","0.005","90","","90","","90","","8073","3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H49 N3 -","- C46.7 H48.1 N3 -","- C373.6 H384.8 N24 -","8","1","","Suwa, Kazuya; Otsuki, Joe; Goto, Kei","Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.","The journal of physical chemistry. A","2010","114","2","884","890","10.1021/jp909922y","","","0.71075","MoKα","","0.1313","0.099","","","0.186","0.2174","","","","","","1.171","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502778","10.084","0.002","14.552","0.004","24.36","0.006","90","","90","","90","","3574.6","1.5","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 N2 Ni O2 -","- C20 H12 Br2 N2 Ni O2 -","- C160 H96 Br16 N16 Ni8 O16 -","8","1","","Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu","π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties","Macromolecules","2010","43","24","10366","","10.1021/ma101800f","","","0.7107","MoKα","","","0.0518","","","","0.0681","","","","","","0.838","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502897","9.572","0.0006","13.652","0.0008","19.809","0.0015","90","","90","","90","","2588.6","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","1","","DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F.","Concise total synthesis of (+/-)-lycopladine A.","Organic letters","2010","12","7","1576","1579","10.1021/ol100273p","","","0.7107","MoKα","","0.0847","0.0492","","","0.102","0.116","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502906","9.9717","0.0003","8.8126","0.0003","25.5594","0.0011","90","","90","","90","","2246.07","0.14","173","","173","","","","","","","","LOC ETH Zurich","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0853","0.0467","","","0.1216","0.1472","","","","","","0.886","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502921","10.7478","0.0002","12.6636","0.0003","26.7573","0.0006","90","","90","","90","","3641.82","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex4","complex4","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C136 H224 Cl8 N16 Rh8 -","8","1","","Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed amination of aryl bromides.","Organic letters","2010","12","7","1640","1643","10.1021/ol100437j","","","0.71073","MoKα","","0.035","0.0287","","","0.0645","0.0668","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502945","9.1721","0.0003","14.0916","0.0005","16.1791","0.0006","90","","90","","90","","2091.14","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 B I O4 -","- C8 H10 B I O4 -","- C64 H80 B8 I8 O32 -","8","1","","Al-Zoubi, Raed M; Hall, Dennis G.","Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.","Organic letters","2010","12","11","2480","2483","10.1021/ol100537x","","","0.71073","MoKα","","0.0186","0.0179","","","0.0459","0.0463","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502990","17.066","0.0013","14.6477","0.0012","17.8123","0.0012","90","","90","","90","","4452.7","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B12 F12 N8 -","- C8 H12 B12 F12 N8 -","- C64 H96 B96 F96 N64 -","8","1","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","1.54178","CuKα","","0.063","0.0468","","","0.1313","0.1444","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503005","12.126","0.003","21.131","0.005","30.52","0.007","90","","90","","90","","7820","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Cl2 Cu N12 O14 -","- C30 H38 Cl2 Cu N12 O14 -","- C240 H304 Cl16 Cu8 N96 O112 -","8","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0994","0.0648","","","0.146","0.1613","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503092","15.2284","0.0007","17.6487","0.0008","17.8733","0.0009","90","","90","","90","","4803.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F3 N O2 S -","- C26 H22 F3 N O2 S -","- C208 H176 F24 N8 O16 S8 -","8","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Sanagawa, Atsushi; Kambe, Nobuaki","Pd-catalyzed regioselective iminothiolation of alkynes: a remarkable effect of the CF3 group of iminosulfides.","Organic letters","2010","12","17","3744","3747","10.1021/ol101289k","","","1.54187","CuKα","","0.079","0.0661","","","0.1704","0.1885","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503100","18.9939","0.0003","7.0672","0.0001","21.2043","0.0004","90","","90","","90","","2846.33","0.08","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl O2 -","- C18 H21 Cl O2 -","- C144 H168 Cl8 O16 -","8","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0325","0.0316","","","0.0895","0.0909","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503186","15.361","0.003","14.451","0.004","23.729","0.005","90","","90","","90","","5267","2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H28 B Cl2 F N2 O -","- C30 H28 B Cl2 F N2 O -","- C240 H224 B8 Cl16 F8 N16 O8 -","8","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.1484","0.0991","","","0.2635","0.2982","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503203","15.103","0.003","6.0078","0.0012","21.747","0.004","90","","90","","90","","1973.2","0.7","571","2","571","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C96 H72 Cl8 O16 -","8","1","","Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Yang, Yu-Tao; Yin, Cai-Xia; Chao, Jian-Bin","Chromene ""lock"", thiol ""key"", and mercury(II) ion ""hand"": a single molecular machine recognition system.","Organic letters","2010","12","21","4756","4759","10.1021/ol101771j","","","0.71073","MoKα","","0.0494","0.0442","","","0.1012","0.1037","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503208","9.9559","0.0003","13.4641","0.0003","21.4149","0.0006","90","","90","","90","","2870.61","0.13","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","1","","Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.","Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.","Organic letters","2010","12","20","4446","4449","10.1021/ol1018147","","","0.71073","MoKα","","0.1078","0.056","","","0.1325","0.1615","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503260","9.8904","0.0002","13.3099","0.0002","13.8982","0.0002","90","","90","","90","","1829.56","0.05","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","1","","Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique","Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.","Organic letters","2010","12","21","4904","4907","10.1021/ol102061k","","","0.71073","MoKα","","0.0598","0.0461","","0.1353","0.1249","0.1353","","","","","","0.926","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503297","18.994","0.003","7.2836","0.001","25.679","0.004","90","","90","","90","","3552.6","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 Si -","- C18 H24 O3 Si -","- C144 H192 O24 Si8 -","8","1","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.125","0.1041","","","0.264","0.2796","","","","","","1.11","","","","has coordinates,has disorder","218626","2020-10-21","18:00:00",""
"1503319","10.6357","0.0002","12.4031","0.0002","22.803","0.0003","90","","90","","90","","3008.07","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.0385","0.0361","","","0.0921","0.0946","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503370","8.9624","0.0008","19.1122","0.0018","31.228","0.003","90","","90","","90","","5349.1","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","compd-1","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C192 H176 S48 Si16 -","8","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0589","0.0411","","","0.0875","0.0972","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503377","7.0652","0.0011","20.188","0.003","21.214","0.003","90","","90","","90","","3025.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Zhao, Tiankun; Xu, Bin","Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones.","Organic letters","2010","12","2","212","215","10.1021/ol902626d","","","0.71073","MoKα","","0.0667","0.042","","","0.0925","0.1049","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503383","22.9778","0.0019","21.9054","0.0018","26.306","0.002","90","","90","","90","","13240.8","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C118 H166 F30 N14 O20 -","- C118 H166 F30 N14 O20 -","- C472 H664 F120 N56 O80 -","4","0.5","","Arunachalam, M.; Ghosh, Pradyut","Bistripodand amide host for compartmental recognition of multiple oxyanions.","Organic letters","2010","12","2","328","331","10.1021/ol9026649","","","0.71073","MoKα","","0.0872","0.0608","","","0.1507","0.1701","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503471","8.3669","0.0006","17.2652","0.0012","20.0508","0.0014","90","","90","","90","","2896.5","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju","Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum.","Journal of natural products","2012","75","2","275","279","10.1021/np200789s","","","0.71073","MoKα","","0.0436","0.0409","","","0.095","0.0968","","","","","","1.09","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503509","22.06","0.0019","6.295","0.0006","34.93","0.003","90","","90","","90","","4850.6","0.7","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[5-Azido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H19 N7 Ni -","- C32 H19 N7 Ni -","- C256 H152 N56 Ni8 -","8","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0854","0.0555","","","0.1243","0.1384","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503520","13.5392","0.0006","6.7124","0.0004","20.4694","0.001","90","","90","","90","","1860.27","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 N2 O2 -","- C8 H16 N2 O2 -","- C64 H128 N16 O16 -","8","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0708","0.0608","","0.1994","0.1944","0.1994","","","","","","1.1802","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503588","19.5308","0.0011","10.1952","0.0006","24.8108","0.0014","90","","90","","90","","4940.3","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N2 O4 S -","- C27.96 H27.91 N2 O4 S -","- C223.68 H223.28 N16 O32 S8 -","8","1","","Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing","Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence.","Organic letters","2012","14","3","740","743","10.1021/ol203275b","","","0.71073","MoKα","","0.0755","0.0633","","","0.1329","0.1376","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503659","8.7519","0.0003","16.8317","0.0005","25.6881","0.0008","90","","90","","90","","3784.1","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-6-(butylamino)-1,3,5-triazine-2,4(1H,3H)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C168 H192 N32 O16 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0807","0.0684","","","0.1681","0.1774","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503660","8.973","0.0005","8.3478","0.0005","28.1826","0.0015","90","","90","","90","","2111","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(Hydroxyimino)-1-methyl-3-phenyl-1,3,5-triazine-2,4-dione","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0814","0.0708","","","0.148","0.1529","","","","","","1.253","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503721","8.0384","0.0007","16.6403","0.0015","33.381","0.003","90","","90","","90","","4465.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N5 O4 -","- C22 H33 N5 O4 -","- C176 H264 N40 O32 -","8","1","","Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C.","Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality.","Organic letters","2009","11","1","61","64","10.1021/ol802344w","","","0.71073","MoKα","","0.1977","0.0618","","","0.1079","0.1533","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1503737","16.753","0.004","17.878","0.005","18.941","0.007","90","","90","","90","","5673","3","123","2","123","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71075","MoKα","","0.1694","0.0651","","","0.1264","0.1628","","","","","","0.98","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503748","12.596","0.003","17.629","0.004","20.182","0.003","90","","90","","90","","4481.5","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C176 H224 N8 O40 P8 S8 -","8","1","","Shintani, Ryo; Murakami, Masataka; Hayashi, Tamio","Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with imines.","Organic letters","2009","11","2","457","459","10.1021/ol802569q","","","0.71075","MoKα","","0.059","0.0484","","","0.1265","0.1321","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503798","11.725","0.003","13.381","0.003","17.617","0.004","90","","90","","90","","2764","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Wang, Kewei; Fu, Xiaolan; Liu, Jinying; Liang, Yongjiu; Dong, Dewen","PIFA-mediated oxidative cyclization of 1-carbamoyl-1-oximylcycloalkanes: synthesis of spiro-fused pyrazolin-5-one N-oxides.","Organic letters","2009","11","4","1015","1018","10.1021/ol802952e","","","0.71069","MoKα","","0.1725","0.0987","","","0.1735","0.2009","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503808","25.479","0.005","5.981","0.0012","30.461","0.006","90","","90","","90","","4641.9","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O2 Te -","- C6 H8 O2 Te -","- C144 H192 O48 Te24 -","24","3","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.","Organic letters","2009","11","7","1487","1490","10.1021/ol9000608","","","0.71073","MoKα","","0.0728","0.041","","","0.0952","0.1044","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503835","19.8903","0.0008","16.9211","0.0007","25.5102","0.001","90","","90","","90","","8585.9","0.6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H45 Cl3 I2 N2 O2 -","- C37 H45 Cl3 I2 N2 O2 -","- C296 H360 Cl24 I16 N16 O16 -","8","1","","Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M.","Unusual mechanistic course of some NHC-mediated transesterifications.","Organic letters","2009","11","7","1643","1646","10.1021/ol900257t","","","0.71073","MoKα","","0.0732","0.0721","","","0.147","0.1475","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503846","10.455","0.002","11.538","0.002","29.956","0.006","90","","90","","90","","3613.6","1.2","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O -","- C23 H23 N O -","- C184 H184 N8 O8 -","8","1","","Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.","Organic letters","2009","11","9","1911","1914","10.1021/ol900355h","","","0.71073","MoKα","","0.0596","0.0368","","","0.0914","0.0989","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503882","12.215","0.002","8.434","0.002","34.429","0.006","90","","90","","90","","3546.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-benzyl 2-(1-(4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)- ethyl)hydrazinecarboxylate","","- C16 H19 N3 O3 S2 -","- C16 H19 N3 O3 S2 -","- C128 H152 N24 O24 S16 -","8","1","","Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S.","An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes.","Organic letters","2009","11","11","2265","2268","10.1021/ol900545v","","","0.71073","MoKα","","0.1094","0.0516","","","0.1068","0.1313","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503932","9.7178","0.0008","12.0387","0.001","29.641","0.003","90","","90","","90","","3467.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C144 H208 N16 O24 -","8","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0591","0.0456","","","0.1213","0.1339","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503943","6.936","0.002","17.283","0.004","20.657","0.005","90","","90","","90","","2476.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-((4E,5Z)-5-amino-4,5-bis(hydroxyimino)pentyl) -3H-pyrrole-5-carboxamide","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C80 H120 N40 O24 -","8","1","","Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali","Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.","Organic letters","2009","11","12","2523","2526","10.1021/ol900745c","","","0.71069","MoKα","","0.0662","0.0428","","","0.1085","0.1213","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503989","12.7255","0.0006","9.7373","0.0005","26.8842","0.0013","90","","90","","90","","3331.3","0.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C144 H168 N8 O40 -","8","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0386","0.0356","","","0.0953","0.0988","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504012","9.6873","0.0006","17.8299","0.0011","18.963","0.0011","90","","90","","90","","3275.4","0.3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N S2 -","- C20 H17 N S2 -","- C160 H136 N8 S16 -","8","1","","Balaji, Ganapathy; Valiyaveettil, Suresh","Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles.","Organic letters","2009","11","15","3358","3361","10.1021/ol901133m","","","0.71073","MoKα","","0.0754","0.062","","","0.1508","0.1592","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504064","17.103","0.004","8.857","0.002","29.744","0.008","90","","90","","90","","4505.7","1.9","123.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Br N O4 -","- C25 H26 Br N O4 -","- C200 H208 Br8 N8 O32 -","8","1","","Shintani, Ryo; Hayashi, Shin-ya; Murakami, Masataka; Takeda, Momotaro; Hayashi, Tamio","Stereoselective synthesis of spirooxindoles by palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with isatins.","Organic letters","2009","11","16","3754","3756","10.1021/ol901348f","","","0.71075","MoKα","","","0.0553","","","","0.073","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504083","14.488","0.002","18.236","0.003","28.915","0.004","90","","90","","90","","7639","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N8 O8 -","- C36 H52 N8 O8 -","- C288 H416 N64 O64 -","8","1","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0727","0.0486","","","0.1037","0.1108","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504107","13.0902","0.0008","16.4023","0.001","19.4869","0.0012","90","","90","","90","","4184","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C200 H224 N16 O24 -","8","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.0703","0.0474","","","0.1445","0.1561","","","","","","1.318","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504118","9.4658","0.0002","10.2821","0.0002","19.9354","0.0004","90","","90","","90","","1940.28","0.07","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","1","","Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K.","Acyl-isothiocyanates as efficient thiocyanate transfer reagents.","Organic letters","2009","11","15","3382","3385","10.1021/ol901561j","","","0.71073","MoKα","","0.0473","0.0372","","","0.1426","0.1581","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504144","7.9296","0.0011","11.5575","0.0016","14.399","0.002","90","","90","","90","","1319.6","0.3","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H14 -","- C20 H16 -","- C80 H64 -","4","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.044","0.0391","","","0.1058","0.1094","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504171","9.2519","0.0009","16.7091","0.0016","20.816","0.002","90","","90","","90","","3218","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O S -","- C18 H24 O S -","- C144 H192 O8 S8 -","8","1","","Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent.","Organic letters","2009","11","20","4576","4579","10.1021/ol901818j","","","0.71073","MoKα","","0.082","0.0409","","","0.0797","0.0883","","","","","","0.833","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504236","9.03","0.005","11.494","0.006","26.562","0.014","90","","90","","90","","2757","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ethyl 2-((1R,9bS)-9b-hydroxy-5-oxo-2,3,5,9b- tetrahydro-1H-pyrrolo[2,1-a]isoindol-1-yl)acetate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0991","0.0546","","","0.1186","0.1359","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504237","9.4786","0.0007","10.8076","0.0008","28.163","0.002","90","","90","","90","","2885","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ethyl 2-((1R,10bS)-10b-hydroxy-6-oxo-1,2,3,4,6,10b- hexahydropyrido[2,1-a]isoindol-1-yl)acetate","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0919","0.0576","","","0.1418","0.1614","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504246","10.8889","0.0003","18.2557","0.0003","30.536","0.0006","90","","90","","90","","6070.1","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C39 H42 -","- C39 H42 -","- C312 H336 -","8","1","","Yang, Jye-Shane; Huang, Hsin-Hau; Liu, Yi-Hung; Peng, Shie-Ming","Synthesis and electronic properties of isotruxene-derived star-shaped ladder-type oligophenylenes: bandgap tuning with two-dimensional conjugation.","Organic letters","2009","11","21","4942","4945","10.1021/ol9021035","","","1.54178","CuKα","","0.0626","0.0443","","","0.1264","0.1367","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504253","17.055","0.003","6.187","0.0012","22.305","0.005","90","","90","","90","","2353.6","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N4 -","- C13 H12 N4 -","- C104 H96 N32 -","8","1","","Lee, Sanghee; Park, Seung Bum","An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening.","Organic letters","2009","11","22","5214","5217","10.1021/ol902147u","","","0.71073","MoKα","","0.0772","0.0354","","","0.0784","0.0838","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504290","12.587","0.003","12.897","0.004","30.669","0.007","90","","90","","90","","4979","2","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C224 H256 N16 O24 -","8","1","","Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio","Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes.","Organic letters","2009","11","24","5642","5645","10.1021/ol902326s","","","0.71075","MoKα","","","0.063","","","","0.0786","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504316","16.163","0.01","8.953","0.005","22.95","0.014","90","","90","","90","","3321","3","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","2","","Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O.","Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist†","Organic Process Research & Development","2009","13","2","198","","10.1021/op800243q","","","0.71073","MoKα","","0.0974","0.0452","","","0.1007","0.1176","","","","","","0.963","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504319","9.4251","0.0002","9.2575","0.0002","20.1686","0.0005","90","","90","","90","","1759.77","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloropropionanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0428","0.0372","","","0.0863","0.0905","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504320","9.7381","0.0002","10.0151","0.0001","22.9501","0.0004","90","","90","","90","","2238.28","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloro-t-butylanilide","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C88 H112 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0401","0.0331","","","0.0812","0.0859","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504323","10.848","0.0004","9.8017","0.0003","13.5375","0.0004","90","","90","","90","","1439.43","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Bromoformanilide","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0326","0.0255","","","0.0614","0.0668","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504334","10.2548","0.0005","17.3996","0.0013","21.2408","0.0012","90","","90","","90","","3790","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C136 H208 N32 O24 -","8","1","","Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid","Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives","Journal of Combinatorial Chemistry","2008","10","4","595","","10.1021/cc8000635","","","0.71073","MoKα","","0.1205","0.0837","","","0.1676","0.1842","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504366","15.064","0.003","5.9041","0.0005","32.08","0.007","90","","90","","90","","2853.2","0.9","","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O -","- C16 H8 F6 N2 O -","- C128 H64 F48 N16 O8 -","8","1","","Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups","Journal of Physical Chemistry C","2008","112","21","7939","","10.1021/jp711836b","","","0.71073","MoKα","","0.0659","0.0461","","","0.1152","0.1217","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504407","8.3395","0.0003","8.5023","0.0003","17.1507","0.0005","90","","90","","90","","1216.07","0.07","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu2 N4 O6 -","- C6 H16 Cu2 N4 O6 -","- C24 H64 Cu8 N16 O24 -","4","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.038","0.021","","","","0.029","","","","","","1.618","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504408","8.3459","0.0002","8.5084","0.0002","17.1684","0.0004","90","","90","","90","","1219.13","0.05","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu2 N4 O6 -","- C6 H16 Cu2 N4 O6 -","- C24 H64 Cu8 N16 O24 -","4","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.026","0.02","","","","0.028","","","","","","1.692","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504430","16.7466","0.0003","20.0392","0.0005","29.3774","0.0006","90","","90","","90","","9858.7","0.4","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H19 B Cl2 I2 N2 O -","- C24 H19 B Cl2 I2 N2 O -","- C384 H304 B16 Cl32 I32 N32 O16 -","16","2","","Nagata, Yuuya; Chujo, Yoshiki","Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior","Macromolecules","2008","41","10","3488","","10.1021/ma702873a","","","0.71075","MoKα","","0.0761","0.0445","","","0.115","0.1475","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504524","6.3174","0.0007","23.129","0.003","24.546","0.003","90","","90","","90","","3586.5","0.8","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,15-bis(dibromomethylene)cyclopentadeca-1,3-diyne","","- C17 H18 Br4 -","- C17 H18 Br4 -","- C136 H144 Br32 -","8","1","","Spantulescu, Andreea; Luu, Thanh; Zhao, Yuming; McDonald, Robert; Tykwinski, Rik R.","Synthesis and characterization of cyclic alkyl tetraynes.","Organic letters","2008","10","4","609","612","10.1021/ol702898a","","","0.71073","MoKα","","0.0739","0.0393","","","0.0743","0.0856","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504557","9.1369","0.0003","20.4629","0.0005","25.729","0.0006","90","","90","","90","","4810.5","0.2","296.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 B N O3 Si -","- C27 H26 B N O3 Si -","- C216 H208 B8 N8 O24 Si8 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio","Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.","Organic letters","2008","10","5","929","932","10.1021/ol7030944","","","0.71075","MoKα","","","0.0462","","","","0.0553","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504593","11.0748","0.0002","13.0716","0.0003","25.1947","0.0005","90","","90","","90","","3647.32","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Sp,Ss)*-4-benzylsulfinyl-[2.2]-paracyclophane","","- C23 H22 O S -","- C23 H22 O S -","- C184 H176 O8 S8 -","8","1","","Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick","An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation.","Organic letters","2008","10","6","1271","1274","10.1021/ol800161m","","","0.71073","MoKα","","0.0874","0.0437","","","0.1046","0.1379","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504596","13.6561","0.0005","16.409","0.0006","26.0092","0.001","90","","90","","90","","5828.2","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H35 N4 O4.5 -","- C34 H35 N4 O4.5 -","- C272 H280 N32 O36 -","8","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng","Chiral induction in phenanthroline-derived oligoamide foldamers: an acid- and base-controllable switch in helical molecular strands.","Organic letters","2008","10","6","1275","1278","10.1021/ol8001688","","","0.7107","MoKα","","0.0738","0.0653","","","0.1273","0.1309","","","","","","1.237","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504607","13.7887","0.0003","8.2013","0.0003","25.4017","0.001","90","","90","","90","","2872.56","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Magolan, Jakob; Carson, Cheryl A.; Kerr, Michael A.","Total synthesis of (+/-)-mersicarpine.","Organic letters","2008","10","7","1437","1440","10.1021/ol800259s","","","0.71073","MoKα","","0.0912","0.0479","","","0.1082","0.126","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504717","6.8324","0.0004","22.8044","0.0015","23.4492","0.0014","90","","90","","90","","3653.6","0.4","150","","150","","","","","","","","Mairi Rudkin MRA143A","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C176 H216 N8 O16 -","8","1","","Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai","Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents.","Organic letters","2008","10","14","2939","2942","10.1021/ol800883b","","","0.71073","MoKα","","0.071","0.0403","","0.1001","0.0876","0.1001","","","","","","0.9843","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504726","9.9608","0.0006","9.8561","0.0004","33.131","0.0019","90","","90","","90","","3252.6","0.3","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C152 H128 O48 -","8","1","","Wilsily, Ashraf; Fillion, Eric","Asymmetric synthesis of carboxylic acid derivatives having an all-carbon alpha-quaternary center through Cu-catalyzed 1,4-addition of dialkylzinc reagents to 2-aryl acetate derivatives.","Organic letters","2008","10","13","2801","2804","10.1021/ol800923q","","","0.71073","MoKα","","0.1276","0.0507","","","0.1111","0.1434","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504878","6.4956","0.0005","18.0854","0.0016","24.885","0.002","90","","90","","90","","2923.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","1","","Duan, Haifeng; Sun, Xiaohua; Liao, Wenyan; Petersen, Jeffrey L.; Shi, Xiaodong","Proline as Lewis base catalyst: diastereoselective synthesis of isoxazoline-N-oxide through [3 + 2] cycloaddition.","Organic letters","2008","10","18","4113","4116","10.1021/ol801656y","","","0.71073","MoKα","","0.0773","0.0478","","","0.1224","0.1444","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504960","38.946","0.003","10.7963","0.0008","7.8297","0.0006","90","","90","","90","","3292.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 O -","- C20 H14 N4 O -","- C160 H112 N32 O8 -","8","1","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0724","0.0521","","","0.1432","0.162","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504969","16.4539","0.0015","13.1086","0.0015","26.12","0.002","90","","90","","90","","5633.8","0.9","113.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H28 Cl3 O2 P2 Rh -","- C29 H28 Cl3 O2 P2 Rh -","- C232 H224 Cl24 O16 P16 Rh8 -","8","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.0682","","","","0.1878","","","","","","1.29","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504984","9.823","0.002","7.302","0.0015","23.688","0.005","90","","90","","90","","1699.1","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H3 F7 N2 -","- C6 H3 F7 N2 -","- C48 H24 F56 N16 -","8","1","","Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D.","Fluoroalkylation of imidazoles by hypervalent iodonium salts.","Organic letters","2008","10","24","5565","5568","10.1021/ol802399z","","","0.71073","MoKα","","0.2384","0.1748","","","0.4132","0.4888","","","","","","1.447","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505028","21.134","0.004","10.7258","0.0016","23.111","0.004","90","","90","","90","","5238.8","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Cl Cu N5 O8 -","- C23 H34 Cl Cu N5 O8 -","- C184 H272 Cl8 Cu8 N40 O64 -","8","1","","Sprague, Jennifer E.; Peng, Yijie; Fiamengo, Ashley L.; Woodin, Katrina S.; Southwick, Evan A.; Weisman, Gary R.; Wong, Edward H.; Golen, James A.; Rheingold, Arnold L.; Anderson, Carolyn J.","Synthesis, characterization and in vivo studies of Cu(II)-64-labeled cross-bridged tetraazamacrocycle-amide complexes as models of peptide conjugate imaging agents.","Journal of medicinal chemistry","2007","50","10","2527","2535","10.1021/jm070204r","","","0.71073","MoKα","","0.0712","0.0542","","","0.1303","0.1398","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505062","25.654","0.003","10.4439","0.001","10.2801","0.0012","90","","90","","90","","2754.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O4 S -","- C12 H18 N2 O4 S -","- C96 H144 N16 O32 S8 -","8","1","","Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen","Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities.","The journal of physical chemistry. B","2007","111","19","5254","5263","10.1021/jp068446a","","","1.54178","CuKα","","0.0747","0.0535","","","0.1353","0.153","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505168","13.8475","0.0006","16.2027","0.0007","19.3485","0.0009","90","","90","","90","","4341.2","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C248 H160 O32 -","8","1","","Al-Kaysi, Rabih O.; Dillon, Robert J.; Kaiser, J. Michael; Mueller, Leonard J.; Guirado, Gonzalo; Bardeen, Christopher J.","Photopolymerization of Organic Molecular Crystal Nanorods","Macromolecules","2007","40","25","9040","","10.1021/ma0717082","","","0.71073","MoKα","","0.0491","0.0412","","","0.1112","0.1192","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505266","14.1344","0.0004","14.996","0.0004","15.2331","0.0004","90","","90","","90","","3228.8","0.15","173.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 Ir N O -","- C15 H19 Cl2 Ir N O -","- C120 H152 Cl16 Ir8 N8 O8 -","8","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0271","","","","0.031","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505273","10.9278","0.0012","10.6803","0.0011","24.621","0.003","90","","90","","90","","2873.6","0.6","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G.","Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template.","Organic letters","2007","9","4","615","618","10.1021/ol062869d","","","0.71073","MoKα","","0.0642","0.0401","","","0.0977","0.115","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505451","17.4562","0.0007","15.5902","0.0004","17.8949","0.0007","90","","90","","90","","4870","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","2","","Murphy, John A.; Mahesh, Mohan; McPheators, Gary; Anand, R. Vijaya; McGuire, Thomas M.; Carling, Robert; Kennedy, Alan R.","Fragmentation of nitrone triflates to 9-membered rings.","Organic letters","2007","9","17","3233","3236","10.1021/ol071049d","","","0.71073","MoKα","","0.1275","0.0592","","","0.1171","0.1427","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505466","9.907","0.003","16.144","0.006","17.827","0.006","90","","90","","90","","2851.2","1.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C120 H112 Br8 N8 O32 -","8","1","","Henry, Christopher E.; Kwon, Ohyun","Phosphine-catalyzed synthesis of highly functionalized coumarins.","Organic letters","2007","9","16","3069","3072","10.1021/ol071181d","","","0.71073","MoKα","","0.0783","0.034","","","0.0658","0.0784","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505503","10.0439","0.0007","9.8777","0.0007","27.4151","0.0019","90","","90","","90","","2719.9","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C136 H144 O24 -","8","1","","Lim, Choongmin; Kang, Ji-Eun; Lee, Ji-Eun; Shin, Seunghoon","Gold-catalyzed tandem C-C and C-O bond formation: a highly diastereoselective formation of cyclohex-4-ene-1,2-diol derivatives.","Organic letters","2007","9","18","3539","3542","10.1021/ol071402f","","","0.71073","MoKα","","0.0896","0.0642","","","0.1605","0.1738","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505523","15.9739","0.0017","8.89","0.001","18.522","0.002","90","","90","","90","","2630.3","0.5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C120 H136 Cl8 O16 -","8","1","","Grant, Tina N.; West, F. G.","Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping.","Organic letters","2007","9","19","3789","3792","10.1021/ol7015669","","","0.71073","MoKα","","0.0382","0.0333","","","0.0894","0.0943","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505556","14.5524","0.0002","16.6177","0.0003","16.8513","0.0003","90","","90","","90","","4075.11","0.12","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H29 I N O2 -","- C21 H29 I N O2 -","- C168 H232 I8 N8 O16 -","8","1","","Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F.","Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds.","Organic letters","2007","9","21","4223","4226","10.1021/ol7018357","","","0.71073","MoKα","","0.0478","0.0314","","","0.0754","0.0829","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505582","10.4278","0.0014","8.5518","0.0012","19.106","0.003","90","","90","","90","","1703.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl N O2 -","- C7 H12 Cl N O2 -","- C56 H96 Cl8 N8 O16 -","8","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0755","0.0557","","","0.1176","0.1254","","","","","","1.081","","","","has coordinates","287986","2023-12-04","13:33:14",""
"1505599","8.0935","0.0003","8.065","0.0003","35.0669","0.0015","90","","90","","90","","2288.96","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0558","0.0321","","0.0474","0.0407","0.0407","","","","","","1.1185","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505627","12.1354","0.0003","10.5342","0.0003","29.4482","0.0007","90","","90","","90","","3764.56","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N3 O2 -","- C20 H24 Cl N3 O2 -","- C160 H192 Cl8 N24 O16 -","8","1","","Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki","Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates.","Organic letters","2007","9","24","5115","5118","10.1021/ol7023295","","","1.54187","CuKα","","0.1157","0.0501","","","0.1027","0.1163","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505632","18.61","0.004","7.6918","0.0018","20.026","0.005","90","","90","","90","","2866.6","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.0934","0.0703","","","0.1717","0.1874","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505750","18.068","0.004","19.887","0.004","28.316","0.006","90","","90","","90","","10174","4","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Cl6 N6 O23 Pt3 Y2 -","- C36 H18 Cl6 N6 O23 Pt3 Y2 -","- C288 H144 Cl48 N48 O184 Pt24 Y16 -","8","1","","Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia","A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes.","The journal of physical chemistry. B","2006","110","43","21509","21520","10.1021/jp0634611","","","0.71073","MoKα","","0.1093","0.0611","","","0.104","0.1171","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505755","23.4721","0.0008","10.2027","0.0004","25.5957","0.0008","90","","90","","90","","6129.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F6 N2 O6 S2 -","- C7 H12 F6 N2 O6 S2 -","- C112 H192 F96 N32 O96 S32 -","16","2","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.0474","0.04","","","0.0966","0.1007","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505770","16.6918","0.0008","20.6408","0.001","37.0204","0.0014","90","","90","","90","","12754.7","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C71 H85 Cl3 O4 -","- C71 H85 Cl3 O4 -","- C568 H680 Cl24 O32 -","8","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0757","0.056","","","0.1379","0.1519","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505808","12.3702","0.0012","8.451","0.0009","19.563","0.002","90","","90","","90","","2045.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Suárez-Castillo, Oscar R; Beiza-Granados, Lidia; Meléndez-Rodríguez, Myriam; Alvarez-Hernández, Alejandro; Morales-Ríos, Martha S; Joseph-Nathan, Pedro","Synthesis of bromoindole alkaloids from Laurencia brongniartii.","Journal of natural products","2006","69","11","1596","1600","10.1021/np060406a","","","0.71073","MoKα","","0.0752","0.0291","","","0.0568","0.0647","","","","","","0.843","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505845","15.469","0.0017","7.263","0.003","22.129","0.007","90","","90","0.006","90","","2486.2","1.3","268","2","268","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2741","0.1036","","","0.1515","0.2154","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505856","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505900","8.717","0.002","21.365","0.003","23.39","0.003","90","","90","","90","","4356.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cyclopropylammonium benzotriazolate benzotriazole (1:1:2)","","- C21 H22 N10 -","- C21 H22 N10 -","- C168 H176 N80 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0664","0.0507","","","0.1518","0.1623","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505954","10.4474","0.0007","13.7791","0.001","23.7993","0.0016","90","","90","","90","","3426","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.","Organic letters","2006","8","10","2087","2090","10.1021/ol0605171","","","0.71073","MoKα","","0.0932","0.0554","","","0.1333","0.1523","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505989","8.178","0.0003","12.3849","0.0004","25.8621","0.0009","90","","90","","90","","2619.41","0.16","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0479","0.0371","","","0.1043","0.1106","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506040","16.779","0.003","23.256","0.003","8.243","0.003","90","","90","","90","","3216.5","1.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0562","","","","0.1497","","","","","","1.243","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506047","10.2128","0.001","14.5819","0.0014","26.706","0.003","90","","90","","90","","3977.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C160 H256 O24 Si8 -","8","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0667","0.0564","","","0.1571","0.1683","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506049","7.9917","0.0013","10.5745","0.0018","23.462","0.004","90","","90","","90","","1982.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br I N O -","- C7 H11 Br I0.75 N O -","- C56 H88 Br8 I6 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0943","0.0738","","","0.1971","0.2084","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506050","8.0936","0.0006","10.7502","0.0008","23.5836","0.0017","90","","90","","90","","2052","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H11 I2 N O -","- C7 H11 I2 N O -","- C56 H88 I16 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0643","0.0565","","","0.1377","0.1424","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506104","15.42","0.002","6.561","0.003","23.85","0.008","90","","90","","90","","2412.9","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 B N3 -","- C14 H12 B N3 -","- C112 H96 B8 N24 -","8","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0605","0.0438","","","0.1069","0.1187","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506131","21.57","0.005","8.3502","0.0019","23.271","0.005","90","","90","","90","","4191.4","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.06","0.0393","","","0.0791","0.0881","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506143","10.5307","0.0009","7.9709","0.0007","29.396","0.003","90","","90","","90","","2467.5","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.1045","0.0517","","","0.1428","0.1667","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506144","5.9414","0.0005","14.8154","0.0013","26.69","0.002","90","","90","","90","","2349.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0967","0.045","","","0.0825","0.0972","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506261","11.177","0.002","14.03","0.002","14.477","0.002","90","","90","","90","","2270.2","0.6","287","2","287","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0909","0.0426","","","0.0915","0.0988","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506403","16.7533","0.0002","10.6616","0.0001","17.2351","0.0002","90","","90","","90","","3078.48","0.06","100","2","100","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 B F2 N2 -","- C18 H17 B F2 N2 -","- C144 H136 B8 F16 N16 -","8","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0576","0.0454","","","0.1312","0.1394","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506407","8.6035","0.0019","10.008","0.002","28.521","0.006","90","","90","","90","","2455.8","0.9","86","2","86","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H30 F6 Li2 N2 O6 S2 -","- C14 H30 F6 Li2 N2 O6 S2 -","- C56 H120 F24 Li8 N8 O24 S8 -","4","0.5","","Rocher, Nathalie M.; Frech, Roger; Khan, Masood","Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).","The journal of physical chemistry. B","2005","109","44","20697","20706","10.1021/jp052965g","","","0.71073","MoKα","","0.0543","0.0501","","","0.1523","0.1552","","","","","","1.164","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506476","10.3322","0.0004","11.1219","0.0006","19.0191","0.0011","90","","90","","90","","2185.56","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 O3 -","- C11 H8 Br2 O3 -","- C88 H64 Br16 O24 -","8","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","1.54178","CuKα","","0.0627","0.0576","","","0.1643","0.1722","","","","","","1.071","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506514","10.7905","0.0012","7.675","0.0008","17.5436","0.0019","90","","90","","90","","1452.9","0.3","273","2","273","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,4-Bis-(2-methyl-phenyl)-benzene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","0.5","","Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar","Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.","Organic letters","2005","7","7","1291","1294","10.1021/ol050091a","","","0.71073","MoKα","","0.0492","0.0369","","","0.0976","0.1038","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506521","22.607","0.003","5.3689","0.0008","24.359","0.004","90","","90","","90","","2956.6","0.8","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.1487","0.0553","","","0.1061","0.1358","","","","","","0.966","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506550","9.9387","0.0013","11.7542","0.0016","15.485","0.002","90","","90","","90","","1809","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Aspinall, Helen C.; Greeves, Nicholas; Valla, Carine","Samarium diiodide-catalyzed diastereoselective pinacol couplings.","Organic letters","2005","7","10","1919","1922","10.1021/ol050256f","","","0.71073","MoKα","","0.0493","0.0381","","","0.0931","0.0971","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506565","7.6969","0.0012","9.6905","0.0014","16.428","0.002","90","","90","","90","","1225.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Hu, Tianshun; Li, Chaozhong","Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.","Organic letters","2005","7","10","2035","2038","10.1021/ol0505555","","","0.71073","MoKα","","0.0645","0.0474","","","0.1166","0.127","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506567","16.844","0.003","19.929","0.004","26.869","0.005","90","","90","","90","","9019","3","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Nanochloroazatriquinacene - C70","","","- C79 Cl9 N -","- C79 Cl9 N -","- C632 Cl72 N8 -","8","1","","Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene.","Organic letters","2005","7","14","2805","2808","10.1021/ol050557p","","","0.71073","MoKα","","0.0508","0.0391","","","0.1048","0.1132","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506587","11.739","0.0002","9.94","0.0002","31.993","0.0006","90","","90","","90","","3733.12","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C144 H240 O48 -","8","1","","Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M.","Two separable conformers of TATP and analogues exist at room temperature.","Organic letters","2005","7","12","2461","2464","10.1021/ol050801c","","","0.71073","MoKα","","0.0654","0.0378","","","0.0936","0.0989","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506617","15.9518","0.0012","12.6973","0.0009","19.0989","0.0013","90","","90","","90","","3868.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C160 H168 N8 O40 S8 -","8","1","","Shi, Yong-Ling; Shi, Min","DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes.","Organic letters","2005","7","14","3057","3060","10.1021/ol051044l","","","0.71073","MoKα","","0.0523","0.0435","","","0.1235","0.129","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506692","5.9697","0.0005","13.3048","0.0012","22.401","0.002","90","","90","","90","","1779.2","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","hexahydro-1-benzofuran-3(2H)-one","","","- C9 H14 O3 -","- C9 H14 O3 -","- C72 H112 O24 -","8","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.0608","0.0522","","","0.1358","0.1431","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506698","9.0996","0.0007","11.5389","0.0008","25.785","0.002","90","","90","","90","","2707.4","0.4","150","","150","","","","","","","","P. Joensuu","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.1124","0.0554","","0.1168","0.1026","0.1168","","","","","","0.7612","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506711","17.1855","0.0011","8.6653","0.0006","24.9779","0.0016","90","","90","","90","","3719.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F6 N O4 S -","- C16 H15 F6 N O4 S -","- C128 H120 F48 N8 O32 S8 -","8","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.1007","0.0885","","","0.1656","0.1718","","","","","","1.149","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506722","8.5596","0.0008","11.4819","0.0012","26.25","0.003","90","","90","","90","","2579.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","1","","Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C.","A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core.","Organic letters","2005","7","21","4721","4724","10.1021/ol0519184","","","0.71073","MoKα","","0.0487","0.0336","","","0.0807","0.0869","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506759","10.162","0.002","11.205","0.002","27.271","0.005","90","","90","","90","","3105.2","1","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.1027","0.0412","","","0.0766","0.0896","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506802","8.11","0.0006","17.9243","0.0014","21.3183","0.0016","90","","90","","90","","3099","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,6-dimethyl-2-phenylpyrimidine","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0678","0.0499","","","0.1203","0.1284","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506822","10.411","0.001","13.338","0.001","21.948","0.001","90","","90","","90","","3047.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluoroisophthalonitrile","2,4,5,6-tetrafluoro-1,3-benzenedicarbonitrile","","- C16 F8 N4 -","- C16 F8 N4 -","- C128 F64 N32 -","8","1","","Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.","Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile","The Journal of Physical Chemistry B","2004","108","11","3663","","10.1021/jp037700l","","","0.7107","MoKα","","0.031","0.031","","","","","","","","","","0.58","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506840","17.6569","0.0008","15.4289","0.0007","25.5819","0.0009","90","","90","","90","","6969.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H52 Al2 N8 O21 P4 -","- C12 H42 Al2 N8 O21 P4 -","- C96 H336 Al16 N64 O168 P32 -","8","1","","Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard","Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16)","The Journal of Physical Chemistry B","2004","108","52","20020","","10.1021/jp0485901","","","0.71073","MoKα","","0.1562","0.0749","","","0.1547","0.197","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506858","8.0944","0.0004","13.7017","0.0006","16.9431","0.0008","90","","90","","90","","1879.11","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I2 O2 -","- C18 H20 I2 O2 -","- C72 H80 I8 O8 -","4","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0209","0.0201","","","0.0524","0.053","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506862","21.303","0.003","38.332","0.005","19.564","0.002","90","","90","","90","","15976","3","203.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C496 H992 Cl16 P64 Pd16 Pt16 -","8","1","","Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi","Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides","Macromolecules","2004","37","22","8204","","10.1021/ma048612h","","","0.7107","MoKα","","","0.0595","","","","0.078","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506889","10.819","0.002","9.869","0.002","22.487","0.005","90","0","90","0","90","0","2401","0.8","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C112 H120 N24 -","8","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.1023","0.0471","","0.1129","","0.0912","","","0.938","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506904","14.8764","0.0017","13.5218","0.0013","27.438","0.003","90","","90","","90","","5519.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C224 H264 N24 O32 Si8 -","8","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.132","0.0945","","","0.1984","0.2242","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506935","11.17","0.01","16.42","0.01","24.14","0.02","90","","90","","90","","4428","6","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N Si -","- C26 H31 N Si -","- C208 H248 N8 Si8 -","8","1","","Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro","Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium.","Organic letters","2004","6","23","4339","4341","10.1021/ol048092a","","","0.7107","MoKα","","","0.054","","","","0.068","","","","","","1.168","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506942","8.8482","0.0005","17.6806","0.0011","29.5631","0.0019","90","","90","","90","","4624.9","0.5","223","2","223","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C33 H28 -","- C33 H28 -","- C264 H224 -","8","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1468","0.0594","","","0.1224","0.1506","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506991","21.228","0.005","13.527","0.005","27.025","0.005","90","0.005","90","0.005","90","0.005","7760","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cl9 S Sb -","- C37 H42 Cl9 S Sb -","- C296 H336 Cl72 S8 Sb8 -","8","1","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0924","0.043","","","0.053","0.058","","","","","","0.858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507023","6.75","0.004","16.542","0.01","20.635","0.012","90","","90","","90","","2304","2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","0.5","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.7107","MoKα","","0.0638","0.0574","","","0.1533","0.1597","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507042","9.7408","0.0004","17.4668","0.0007","25.7256","0.0012","90","","90","","90","","4377","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4:15,16-dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1(21),3,15,18(22),19-pentaen-22-ol","","- C26 H28 O5 -","- C26 H28 O5 -","- C208 H224 O40 -","8","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2851","0.067","","","0.0983","0.1496","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507095","10.646","0.004","18.82","0.01","40.113","0.015","90","","90","","90","","8037","6","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H53 N3 O4 S -","- C42 H53 N3 O4 S -","- C336 H424 N24 O32 S8 -","8","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1238","0.0873","","","0.1992","0.2206","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507163","13.0955","0.0003","18.5015","0.0006","28.2301","0.0011","90","","90","","90","","6839.8","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 B F15 Si2 -","- C34 H22 B F15 Si2 -","- C272 H176 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0757","0.0453","","","0.0991","0.1171","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507164","12.8769","0.0003","18.9861","0.0004","29.5893","0.0009","90","","90","","90","","7234.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H26 B F15 Si2 -","- C36 H26 B F15 Si2 -","- C288 H208 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0607","0.0464","","","0.1118","0.1218","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507171","8.3435","0.0002","13.8536","0.0003","23.2107","0.0007","90","","90","","90","","2682.87","0.12","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 O S -","- C16 H18 O S -","- C128 H144 O8 S8 -","8","1","","Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi","Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives.","Organic letters","2012","14","6","1488","1491","10.1021/ol3002305","","","0.71075","MoKα","","","0.0394","","","","0.1242","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507241","14.036","0.001","16.258","0.001","17.012","0.001","90","","90","","90","","3882.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5","[1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane]copper(II) dichloride","","- C19 H20 Cl2 Cu N4 O -","- C19 H20 Cl2 Cu N4 O -","- C152 H160 Cl16 Cu8 N32 O8 -","8","1","","Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.","Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts","Macromolecules","2003","36","23","8584","","10.1021/ma034548c","","","0.71073","MoKα","","0.0845","0.0418","","","0.0966","0.1049","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507269","25.451","0.0001","13.456","0.0002","28.128","0.0004","90","","90","","90","","9633","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H26 Co F15 N5 P -","- C57 H26 Co F15 N5 P -","- C456 H208 Co8 F120 N40 P8 -","8","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1135","0.0665","","","0.161","0.1854","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507328","12.4162","0.0003","7.6844","0.0002","26.1667","0.0006","90","","90","","90","","2496.59","0.11","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization.","Organic letters","2003","5","11","2011","2014","10.1021/ol034646i","","","0.71073","MoKα","","0.1119","0.0664","","","0.1396","0.1605","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507333","16.252","0.007","15.611","0.007","20.917","0.009","90","","90","","90","","5307","4","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H24 -","- C38 H24 -","- C304 H192 -","8","1","","Deaton, Kimberly R.; Gin, Mary S.","Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes.","Organic letters","2003","5","14","2477","2480","10.1021/ol034720x","","","0.71073","MoKα","","0.0712","0.0438","","","0.1014","0.1108","","","","","","1.027","","","","has coordinates","287940","2023-12-01","17:20:57",""
"1507345","22.7324","0.0015","9.6336","0.0006","26.7417","0.0018","90","","90","","90","","5856.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,7,12,17-tetraethyl-3,6,13,16-tetrakis(trifluoromethyl)porphycene","","- C32 H26 F12 N4 -","- C32 H26 F12 N4 -","- C256 H208 F96 N32 -","8","1","","Hayashi, Takashi; Nakashima, Yuji; Ito, Kazuyuki; Ikegami, Takahiro; Aritome, Isao; Suzuki, Akihiro; Hisaeda, Yoshio","Synthesis, structure, and chemical property of the first fluorine-containing porphycene.","Organic letters","2003","5","16","2845","2848","10.1021/ol0348452","","","0.71073","MoKα","","0.0943","0.0723","","","0.1424","0.1522","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507368","12.774","0.007","10.955","0.004","25.097","0.009","90","","90","","90","","3512","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Booker-Milburn, Kevin I; Jenkins, Helen; Charmant, Jonathan P. H.; Mohr, Peter","Synthesis of the reported structure of pogostol and a total aynthesis of (+/-)-kessane without the use of protecting groups.","Organic letters","2003","5","18","3309","3312","10.1021/ol035373u","","","0.71073","MoKα","","0.073","0.0473","","","0.092","0.1008","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507380","16.862","0.0002","11.0458","0.0001","16.9723","0.0002","90","","90","","90","","3161.16","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C136 H192 N16 O16 -","8","1","","Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.","Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines.","Organic letters","2003","5","20","3759","3762","10.1021/ol035521g","","","0.71073","MoKα","","0.0537","0.0386","","","0.0986","0.107","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507520","8.1348","0.0004","12.0317","0.0005","20.4322","0.0009","90","","90","","90","","1999.81","0.16","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Harmata, Michael; Rashatasakhon, Paitoon","A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol","Organic Letters","2001","3","16","2533","","10.1021/ol016200c","","","0.71073","MoKα","","0.0472","0.0398","","","0.1058","0.1118","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507536","43.138","0.013","9.07","0.002","8.544","0.002","90","","90","","90","","3342.9","1.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C136 H168 N8 O32 S8 -","8","1","","Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A.","1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations","Organic Letters","2001","3","21","3405","","10.1021/ol0166449","","","0.71069","MoKα","","0.139","0.078","","","0.221","0.2554","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507613","11.0852","0.0002","7.9804","0.0001","31.3518","0.0005","90","","90","","90","","2773.52","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","1.54178","CuKα","","0.0285","0.0281","","","0.0752","0.0755","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507641","10.8222","0.0006","9.7805","0.0006","13.6084","0.0009","90","","90","","90","","1440.4","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning","Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides.","Organic letters","2012","14","9","2362","2365","10.1021/ol300781s","","","0.71073","MoKα","","0.0346","0.0291","","","0.0783","0.0835","","","","","","1.113","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507644","8.28074","0.00015","10.78047","0.00019","41.173","0.0008","90","","90","","90","","3675.52","0.12","93.1","","93","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0621","","","","0.144","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507689","15.4372","0.0006","18.7975","0.0008","21.1721","0.0008","90","","90","","90","","6143.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44 B N5 O -","- C32 H44 B N5 O -","- C256 H352 B8 N40 O8 -","8","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","1.54178","CuKα","","0.0597","0.0527","","","0.1719","0.1765","","","","","","1.822","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507733","10.132","0.0012","15.1023","0.0017","28.17","0.003","90","","90","","90","","4310.5","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N3 O2 -","- C24 H33 N3 O2 -","- C192 H264 N24 O16 -","8","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0831","0.0508","","","0.1277","0.1451","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507887","12.321","0.004","14.075","0.005","23.143","0.008","90","","90","","90","","4013","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N2 O4 -","- C21 H25 N2 O4 -","- C168 H200 N16 O32 -","8","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.1055","0.0568","","","0.1313","0.1583","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507889","13.4194","0.0012","11.6002","0.001","26.589","0.002","90","","90","","90","","4139","0.6","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Br N O3 S -","- C23 H22 Br N O3 S -","- C184 H176 Br8 N8 O24 S8 -","8","1","","Yin, Qin; You, Shu-Li","Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones.","Organic letters","2012","14","13","3526","3529","10.1021/ol301531z","","","0.71073","MoKα","","0.0427","0.0294","","","0.0728","0.0798","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508046","16.0034","0.0012","17.018","0.0013","26.118","0.002","90","","90","","90","","7113.1","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1b","","","- C37 H57 Fe P3 Si -","- C37 H57 Fe P3 Si -","- C296 H456 Fe8 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0601","0.0379","","","0.0913","0.107","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508047","26.3222","0.0003","19.5893","0.0002","27.3174","0.0003","90","","90","","90","","14085.8","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","3","","","- C68 H66 B F24 Fe N2 P3 Si -","- C68 H66 B F24 Fe N2 P3 Si -","- C544 H528 B8 F192 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.051","0.0413","","","0.1013","0.1071","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508048","16.085","0.003","17.133","0.003","25.58","0.005","90","","90","","90","","7049","2","100","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4b","","","- C36 H54 Fe N2 P3 Si -","- C36 H54 Fe N2 P3 Si -","- C288 H432 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0566","0.037","","","0.0841","0.0957","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508220","13.1161","0.0004","13.6814","0.0005","24.0413","0.0008","90","","90","","90","","4314.1","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cu N3 Na O5 S -","- C20 H22 Cu N3 Na O5 S -","- C160 H176 Cu8 N24 Na8 O40 S8 -","8","1","","Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik","Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds","Inorganica Chimica Acta","2012","390","","53","60","10.1016/j.ica.2012.03.044","","","0.71073","MoKα","","0.0755","0.0408","","","0.0569","0.0637","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508427","5.9696","0.0001","16.7493","0.0004","19.0799","0.0004","90","","90","","90","","1907.73","0.07","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N7 -","- C7 H15 N7 -","- C56 H120 N56 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0491","0.0411","","","0.1081","0.1122","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508624","15.5606","0.0007","9.0491","0.0003","20.4783","0.0007","90","","90","","90","","2883.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Nair, Divya K.; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis of imidazopyridines from the Morita-Baylis-Hillman acetates of nitroalkenes and convenient access to Alpidem and Zolpidem.","Organic letters","2012","14","17","4580","4583","10.1021/ol3020418","","","0.71073","MoKα","","0.0689","0.0514","","","0.1389","0.154","","","","","","1.096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508643","9.42","0.0015","22.286","0.004","21.009","0.005","90","","90","","90","","4410.5","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","benzothia_BPh2","","","- C27 H20 B N O S -","- C27 H20 B N O S -","- C216 H160 B8 N8 O8 S8 -","8","1","","Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.","Organic letters","2012","14","17","4682","4685","10.1021/ol302179r","","","0.71075","MoKα","","0.0828","0.0591","","","0.1378","0.1533","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508663","11.0313","0.0003","9.5234","0.0002","31.3481","0.0008","90","","90","","90","","3293.29","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C152 H120 F8 N16 O32 -","8","1","","Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai","Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes.","Organic letters","2012","14","18","4934","4937","10.1021/ol302259v","","","1.54178","CuKα","","0.0438","0.0376","","","0.0924","0.0974","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508683","9.3","0.04","18.67","0.08","19.8","0.04","90","","90","","90","","3438","2","239.05","0.1","239.05","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min","Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids.","Organic letters","2012","14","19","5114","5117","10.1021/ol302386g","","","0.7107","MoKα","","0.0839","0.0562","","","0.1334","0.153","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508686","11.4136","0.0011","11.557","0.0012","28.331","0.003","90","","90","","90","","3737.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl N2 O5 S -","- C17 H23 Cl N2 O5 S -","- C136 H184 Cl8 N16 O40 S8 -","8","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.0503","0.0418","","","0.1005","0.1052","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508753","20.4027","0.0019","7.1468","0.0007","22.129","0.002","90","","90","","90","","3226.7","0.5","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C144 H168 N8 O24 S8 -","8","1","","Yuan, Wei; Dong, Xiang; Shi, Min; McDowell, Patrick; Li, Guigen","Rh(I)-catalyzed Pauson-Khand-type cycloaddition reaction of ene-vinylidenecyclopropanes with carbon monoxide (CO).","Organic letters","2012","14","21","5582","5585","10.1021/ol302705z","","","0.71073","MoKα","","0.0502","0.0403","","","0.1066","0.1141","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508870","19.1983","0.0008","10.9762","0.0005","23.4467","0.001","90","","90","","90","","4940.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C216 H264 N8 O56 -","8","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0671","0.042","","","0.101","0.1154","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508884","7.861","0.019","9.93","0.02","42.05","0.1","90","","90","","90","","3282","13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C128 H136 N8 O16 S16 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0799","0.055","","","0.1234","0.1341","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508885","8.132","0.005","12.907","0.007","23.129","0.013","90","","90","","90","","2428","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0704","0.0467","","","0.1132","0.1264","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508902","7.5741","0.0003","13.7438","0.0005","21.7946","0.0007","90","","90","","90","","2268.75","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C96 H80 N32 O8 -","8","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0567","0.0446","","","0.1187","0.1285","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508958","11.06","0.003","18.268","0.005","21.576","0.006","90","","90","","90","","4359","2","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O2 P S -","- C26 H24 N O2 P S -","- C208 H192 N8 O16 P8 S8 -","8","1","","Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi","Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s.","Organic letters","2013","15","4","932","935","10.1021/ol4000982","","","0.7107","MoKα","","0.0704","0.0568","","","0.1424","0.1516","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509291","7.5","","15.751","","5.702","","90","","90","","90","","673.592","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag Cu (P O4)","","- Ag Cu O4 P -","- Ag Cu O4 P -","- Ag8 Cu8 O32 P8 -","8","1","","Oumba, M.T.; Quarton, M.","Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta","Materials Research Bulletin","1983","18","","967","974","10.1016/0025-5408(83)90008-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509320","5.073","","5.529","","5.813","","90","","90","","90","","163.047","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ag F2 -","- Ag F2 -","- Ag4 F8 -","4","0.5","","Fischer, P.; Schwarzenbach, D.; Rietveld, H.M.","Crystal and magnetic structure of silver difluoride. I. Determination of the Ag F2 structure","Journal of Physics and Chemistry of Solids","1971","32","","543","550","10.1016/0022-3697(71)90003-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509321","5.568","","5.831","","5.101","","90","","90","","90","","165.614","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ag F2 -","- Ag F2 -","- Ag4 F8 -","4","0.5","","Mueller, B.G.; Hoppe, R.; Zemva, B.; Jesih, A.; Lutar, K.; Becker, S.; Bachmann, B.","Einkristalluntersuchungen an Ag F2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","588","","77","83","10.1002/zaac.19905880110","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509346","12.169","","22.484","","7.473","","90","","90","","90","","2044.67","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag Ga (P2 Se6)","","- Ag Ga P2 Se6 -","- Ag Ga P2 Se6 -","- Ag8 Ga8 P16 Se48 -","8","1","","Pfeiff, R.; Kniep, R.","Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6), (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In)","Journal of Alloys Compd.","1992","186","","111","133","10.1016/0925-8388(92)90626-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509468","6.995","","7.328","","10.118","","90","","90","","90","","518.642","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ag (N O3)","","- Ag N O3 -","- Ag N O3 -","- Ag8 N8 O24 -","8","1","","Trotter, J.; Gibbons, C.S.","Crystal structure of exo-tricyclo(3.2.1.02,4)oct-6-ene-silver nitrate, and a refinement of the silver nitrate structure","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","2058","2062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509622","16.5328","","10.6286","","10.5452","","90","","90","","90","","1853.01","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K Ag11 (V O4)4","","- Ag11 K O16 V4 -","- Ag11 K O16 V4 -","- Ag44 K4 O64 V16 -","4","0.5","","Jansen, M.; Kovalevskiy, A.","Synthesis and crystal structure analysis of K Ag11 (V O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","413","436","10.1002/zaac.200500411","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510264","8.549","","8.249","","10.011","","90","","90","","90","","705.983","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Au (S O4)","","- Au O4 S -","- Au O4 S -","- Au8 O32 S8 -","8","1","","Wickleder, M.S.","Au S O4 : a true gold(II) sulfate with Au2(4+) ion","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2112","2114","10.1002/1521-3749(200109)627:9<2112::AID-ZAAC2112>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510306","6.909","","7.037","","11.789","","90","","90","","90","","573.165","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Au Sn2 -","- Au Sn2 -","- Au8 Sn16 -","8","1","","Schubert, K.; Gohle, R.; Breimer, H.","Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon","Zeitschrift fuer Metallkunde","1959","50","","146","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510484","20.742","","18.036","","6.665","","90","","90","","90","","2493.4","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Au3 Ca7 -","- Au3 Ca7 -","- Au24 Ca56 -","8","1","","Fornasini, M.L.; Merlo, F.","Ca7 Au3 and Ca5 Au4, two structures closely related to the Th7 Fe3 and Pu5 Rh4 types","Journal of Solid State Chemistry","1985","59","","65","70","10.1016/0022-4596(85)90351-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510986","11.9","","6.281","","7.69","","90","","90","","90","","574.781","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- B2 Cl4 -","- B2 Cl4 -","- B8 Cl16 -","4","0.5","","Atoji, M.; Wheatley, P.J.; Lipscomb, W.N.","Molecular Structure of Diborane Tetrachloride, B2 Cl4","Journal of Chemical Physics","1955","23","","1176","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511036","9.9007","","7.2036","","23.292","","90","","90","","90","","1661.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce3 (B Si O6) (Si O4)","","- B Ce3 O10 Si2 -","- B Ce3 O10 Si2 -","- B8 Ce24 O80 Si16 -","8","1","","Grossholz, H.; Mueller-Bunz, H.; Schleid, T.","Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1436","1438","10.1002/1521-3749(200107)627:7<1436::AID-ZAAC1436>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511039","6.6139","","9.766","","10.6","","90","","90","","90","","684.668","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mg2 (B N2) Cl","","- B Cl Mg2 N2 -","- B Cl Mg2 N2 -","- B8 Cl8 Mg16 N16 -","8","1","","Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W.","Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1015","1021","10.1002/zaac.200400055","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511168","9.63","","6.959","","22.792","","90","","90","","90","","1527.41","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gd3 (B Si O6) (Si O4)","","- B Gd3 O10 Si2 -","- B Gd3 O10 Si2 -","- B8 Gd24 O80 Si16 -","8","1","","Chen, H.-Y.; Zhuang, H.-H.; Huang Jinshun; Lin, X.; Chi Lisheng","Synthesis and crystal structure of Gd3 (B Si O6) (Si O4)","Jiegon Huaxue","1998","17","","297","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511177","9.845","","7.146","","23.382","","90","","90","","90","","1644.98","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nd3 (B Ge1.08 Si0.92 O10)","","- B Ge1.08 Nd3 O10 Si0.92 -","- B Ge1.08 Nd3 O10 Si0.92 -","- B8 Ge8.64 Nd24 O80 Si7.36 -","8","1","","Serhan, K.; Darriet, J.; Taibi, M.; Aride, J.; le Flem, G.; Boukhari, A.","The crystal structure of a new borogermanosilicate Nd3BGe1.08Si0.92O10","Journal of Solid State Chemistry","1994","110","","384","388","10.1006/jssc.1994.1183","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511464","13.227","","6.1675","","6.062","","90","","90","","90","","494.523","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li Ca (B O3)","","- B Ca Li O3 -","- B Ca Li O3 -","- B8 Ca8 Li8 O24 -","8","1","","Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L.","Structure determination of a new compound Li Ca B O3","Journal of Solid State Chemistry","2004","177","","1111","1116","10.1016/j.jssc.2003.10.018","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511482","8.62354","","14.0071","","8.07237","","90","","90","","90","","975.068","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mn B4 O7","","- B4 Mn O7 -","- B4 Mn O7 -","- B32 Mn8 O56 -","8","1","","Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C.","Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence","Journal of Chemical Physics","1974","60","","1899","1905","10.1063/1.1681292","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511539","8.697","","8.431","","21.41","","90","","90","","90","","1569.88","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs (B5 O8)","","- B5 Cs O8 -","- B5 Cs O8 -","- B40 Cs8 O64 -","8","1","","Touboul, M.; Nowogrocki, G.; Seguin, L.; Penin, N.","Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))","Journal of Solid State Chemistry","2001","161","","205","213","10.1006/jssc.2001.9297","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511545","17.588","","9.001","","9.477","","90","","90","","90","","1500.3","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ho2 Ni10 B5","","- B5 Ho2 Ni10 -","- B5 Ho2 Ni10 -","- B40 Ho16 Ni80 -","8","1","","Zavalii, P.Yu.; Bruskov, V.A.; Kuz'ma, Yu.B.; Gubich, I.B.","A new type of Ho2Ni10B5 boride structure","Kristallografiya","1991","36","","490","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511550","7.838","","12.288","","18.18","","90","","90","","90","","1750.98","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 Mg (B5 O10)","","- B5 Mg Na3 O10 -","- B5 Mg Na3 O10 -","- B40 Mg8 Na24 O80 -","8","1","","Xiao Weiqiang; Zang Hegui; Li Ming; Chang Xinan; Zuo Jianlong; Chen Xuean","Syntheses and crystal structures of two pentaborates, Na3 Ca B5 O10 and Na3 Mg B5 O10","Solid State Sciences","2007","9","","678","685","10.1016/j.solidstatesciences.2007.05.013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511554","7.553","","11.857","","14.813","","90","","90","","90","","1326.59","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb (B5 O8)","","- B5 O8 Rb -","- B5 O8 Rb -","- B40 O64 Rb8 -","8","1","","Seguin, L.; Touboul, M.; Penin, N.; Nowogrocki, G.","Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))","Journal of Solid State Chemistry","2001","161","","205","213","10.1006/jssc.2001.9297","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511654","8.1189","","8.621","","13.737","","90","","90","","90","","961.494","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Co (B4 O7)","","- B4 Co O7 -","- B4 Co O7 -","- B32 Co8 O56 -","8","1","","Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F.","Crystallographic investigation of the Co - B - O system","Journal of Solid State Chemistry","2003","174","","189","197","10.1016/S0022-4596(03)00217-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511830","9.676","0.002","16.2","0.007","9.8866","0.0019","90","","90","","90","","1549.7","0.8","296","2","296","2","50000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2142","0.1421","","","0.329","0.3704","","","","","","1.297","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511831","9.66","0.004","16.126","0.006","9.753","0.004","90","","90","","90","","1519.3","1.1","296","2","296","2","190000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.1749","0.1226","","","0.278","0.3054","","","","","","1.38","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511832","9.676","0.002","16.179","0.011","9.627","0.003","90","","90","","90","","1507.1","1.2","296","2","296","2","330000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2108","0.2046","","","0.3718","0.3743","","","","","","1.398","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511833","9.634","0.005","16.132","0.007","9.466","0.004","90","","90","","90","","1471.2","1.2","296","2","296","2","480000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.263","0.2416","","","0.3427","0.3543","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511834","9.637","0.002","16.135","0.008","9.365","0.002","90","","90","","90","","1456.2","0.8","296","2","296","2","650000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2116","0.1374","","","0.2624","0.2908","","","","","","1.403","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511865","17.444","0.004","8.121","0.002","26.134","0.007","90","","90","","90","","3702.2","1.6","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C184 H192 O16 -","8","1","","Xie, Xiaocong; Li, Yi; Fox, Joseph M.","Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements","Organic Letters","2013","15","7","1500","","10.1021/ol400264a","","","0.71073","MoKα","","0.1059","0.0494","","","0.0882","0.1081","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511881","9.652","0.0011","14.2244","0.0015","20.858","0.003","90","","90","","90","","2863.7","0.6","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O -","- C22 H14 O -","- C176 H112 O8 -","8","1","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71075","MoKα","","","0.0449","","","","0.1215","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511888","9.5282","0.0005","21.6974","0.001","26.3399","0.0013","90","","90","","90","","5445.4","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","QY0629","Doyle/Qian QY0629","","- C27 H33 Br N2 O4 S -","- C27 H33 Br N2 O4 S -","- C216 H264 Br8 N16 O32 S8 -","8","1","","Qian, Yu; Zavalij, Peter J.; Hu, Wenhao; Doyle, Michael P.","Bicyclic Pyrazolidinone Derivatives from Diastereoselective Catalytic [3 + 3]-Cycloaddition Reactions of Enoldiazoacetates with Azomethine Imines","Organic Letters","2013","15","7","1564","","10.1021/ol400339c","","","0.71073","MoKα","","0.0548","0.0378","","","0.0801","0.0843","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511931","16.283","0.008","10.98","0.006","19.477","0.01","90","","90","","90","","3482","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N5 -","- C22 H15 N5 -","- C176 H120 N40 -","8","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines.","Organic letters","2013","15","8","1954","1957","10.1021/ol400606c","","","0.7107","MoKα","","0.1567","0.1081","","","0.2684","0.3309","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511936","11.8949","0.0007","8.9065","0.0005","28.0405","0.0016","90","","90","","90","","2970.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0384","0.0379","","","0.0897","0.0902","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511937","16.3661","0.0006","6.7959","0.0002","33.9544","0.0012","90","","90","","90","","3776.5","0.2","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cl F3 N3 O -","- C7 H7 Cl F3 N3 O -","- C112 H112 Cl16 F48 N48 O16 -","16","2","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","1.54178","CuKα","","0.0368","0.03","","","0.0723","0.076","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511958","7.8204","0.0014","14.892","0.003","23.179","0.004","90","","90","","90","","2699.5","0.9","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 B F4 N2 -","- C13 H17 B F4 N2 -","- C104 H136 B8 F32 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.1081","0.0578","","","0.1173","0.14","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511959","7.4246","0.0004","15.5642","0.001","21.89","0.0014","90","","90","","90","","2529.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Br N2 -","- C13 H17 Br N2 -","- C104 H136 Br8 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.0641","0.0374","","","0.0846","0.0977","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512038","14.7579","0.0002","10.3799","0.0002","22.7275","0.0004","90","","90","","90","","3481.52","0.1","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C176 H128 N32 O16 -","16","2","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0547","0.0356","","0.0903","0.0809","0.0903","","","","","","0.9785","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512040","13.8283","0.0006","7.4374","0.0002","24.5877","0.0009","90","","90","","90","","2528.76","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0784","0.0459","","0.1055","0.0935","0.1055","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512103","18.1208","0.0008","7.9048","0.0004","27.8786","0.0014","90","","90","","90","","3993.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0683","0.0463","","","0.1097","0.1238","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512113","11.6161","0.0003","8.1844","0.0002","31.4284","0.0008","90","","90","","90","","2987.92","0.13","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0804","0.0502","","","0.1355","0.1678","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512130","7.707","0.003","13.875","0.005","23.418","0.008","90","","90","","90","","2504.2","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Coumarin 343","11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0826","0.0694","","","0.172","0.1873","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512137","6.9752","0.0012","21.458","0.003","24.8","0.004","90","","90","","90","","3711.9","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,10-bis(trimethylsilyl)-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-on","","- C15 H20 O S2 Si2 -","- C15 H20 O S2 Si2 -","- C120 H160 O8 S16 Si16 -","8","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.1201","0.0551","","","0.0955","0.1175","","","","","","1.029","","","","has coordinates","264558","2021-04-26","21:52:53",""
"1512216","9.1775","0.0001","16.572","0.0003","33.404","0.002","90","","90","","90","","5080.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C240 H216 N8 O32 -","8","1","","Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela","Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.","Organic letters","2013","15","15","4002","4005","10.1021/ol401798w","","","1.54187","CuKα","","0.0563","0.0451","","","0.1177","0.1381","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512222","16.173","0.004","11.469","0.002","17.766","0.003","90","","90","","90","","3295.4","1.1","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C128 H112 Cl16 N16 O16 -","8","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.1475","0.0548","","","0.1184","0.1515","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512236","10.2819","0.0004","14.7015","0.0006","19.599","0.0008","90","","90","","90","","2962.6","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pd -","- C18 H24 Pd -","- C144 H192 Pd8 -","8","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0209","0.0178","","","0.0453","0.0469","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512256","8.6335","0.0002","14.1307","0.0003","21.2871","0.0005","90","","90","","90","","2596.97","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C96 H120 N24 O8 S8 -","8","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0666","0.0527","","0.0791","0.0505","0.0455","","","","","","1.0748","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512258","9.4374","0.0003","13.0463","0.0004","22.2127","0.0006","90","","90","","90","","2734.9","0.14","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl N3 O S -","- C12 H14 Cl N3 O S -","- C96 H112 Cl8 N24 O8 S8 -","8","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0548","0.0491","","0.066","0.0531","0.0511","","","","","","1.0895","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512288","9.8323","0.0009","27.722","0.003","29.449","0.003","90","","90","","90","","8026.9","1.4","191","2","191","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H10 N2 O S2 -","- C75 H10 N2 O S2 -","- C600 H80 N16 O8 S16 -","8","1","","Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang","Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE","Organic Letters","2013","15","18","4646","","10.1021/ol401834j","","","0.71073","MoKα","","0.1386","0.0888","","","0.2367","0.2908","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512354","11.3182","0.0009","15.2662","0.0012","16.9741","0.0013","90","","90","","90","","2932.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0461","0.0388","","","0.1105","0.1195","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512356","12.358","0.0005","11.8372","0.0005","22.9929","0.0012","90","","90","","90","","3363.5","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0903","0.0517","","","0.1092","0.1284","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512372","7.8897","0.0009","20.511","0.003","21.318","0.003","90","","90","","90","","3449.8","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C176 H128 Cl8 N8 O8 -","8","1","","Bhunia, Anup; Porwal, Digvijay; Gonnade, Rajesh G.; Biju, Akkattu T.","Multicomponent reactions involving arynes, quinolines, and aldehydes.","Organic letters","2013","15","17","4620","4623","10.1021/ol4023134","","","0.71073","MoKα","","0.093","0.0473","","","0.1324","0.1626","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512402","14.939","0.005","23.406","0.005","34.243","0.005","90","0.005","90","0.005","90","0.005","11973","5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H60 Cu6 N8 O50 Si W12 -","- C64 H56 Cu6 N8 O50 Si W12 -","- C256 H224 Cu24 N32 O200 Si4 W48 -","4","0.5","","Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su","Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates","Inorganica Chimica Acta","2012","390","","135","142","10.1016/j.ica.2012.04.011","","","0.71069","MoKα","","0.119","0.0692","","","0.1853","0.2084","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512417","9.7943","0.0006","17.285","0.0016","17.4952","0.0005","90","","90","","90","","2961.8","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Fe O3 -","- C19 H16 Fe O3 -","- C152 H128 Fe8 O24 -","8","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","","0.7107","MoKα","","0.0411","0.0312","","","0.0679","0.0724","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512429","17.4754","0.0017","12.7417","0.0012","18.2221","0.0017","90","","90","","90","","4057.4","0.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 Ni O5 -","- C22 H16 N4 Ni O5 -","- C176 H128 N32 Ni8 O40 -","8","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.71073","MoKα","","0.088","0.0419","","","0.0896","0.101","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512430","17.5759","0.0005","13.2778","0.0004","18.1001","0.0005","90","","90","","90","","4224","0.2","291.15","","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Mn N4 O5 -","- C22 H16 Mn N4 O5 -","- C176 H128 Mn8 N32 O40 -","8","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.7107","MoKα","","0.0711","0.0442","","","0.0957","0.1088","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512441","15.5","0.002","8.5536","0.0012","25.822","0.003","90","","90","","90","","3423.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Ag2 N4 O12 S2 -","- C28 H38 Ag2 N4 O12 S2 -","- C112 H152 Ag8 N16 O48 S8 -","4","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.1057","0.0996","","","0.3088","0.3135","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512448","9.4018","0.0002","18.2059","0.0004","25.6928","0.0006","90","","90","","90","","4397.79","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 F12 N5 P2 -","- C15 H19 F12 N5 P2 -","- C120 H152 F96 N40 P16 -","8","1","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0663","0.0422","","","0.0894","0.0991","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512647","7.8449","0.001","12.6638","0.0016","24.194","0.003","90","","90","","90","","2403.6","0.5","98","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd1.5 N11 O -","- C6 H6 Cd1.5 N11 O -","- C48 H48 Cd12 N88 O8 -","8","1","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0174","0.0155","","","0.0407","0.0419","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512657","12.01","0.004","5.795","0.002","12.677","0.004","90","","90","","90","","882.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B2 Cd O5 Sr -","- B2 Cd O5 Sr -","- B16 Cd8 O40 Sr8 -","8","1","","Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang","Synthesis, crystal structure and properties of a new strontium cadmium diborate","Inorganica Chimica Acta","2012","392","","459","464","10.1016/j.ica.2012.03.012","","","0.71073","MoKα","","0.03","0.0256","","","0.0727","0.0758","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512658","13.424","0.002","22.054","0.004","47.809","0.008","90","","90","","90","","14154","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H33 Cl2 Cu N10 O8.5 -","- C30 H33 Cl2 Cu N10 O8.5 -","- C480 H528 Cl32 Cu16 N160 O136 -","16","2","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.1401","0.0604","","","0.1631","0.1861","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512664","10.836","0.004","21.63","0.008","23.468","0.008","90","","90","","90","","5500","3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Br Cl N2 P -","- C32 H27 Br Cl N2 P -","- C256 H216 Br8 Cl8 N16 P8 -","8","1","","Ian Mallov; Heather Spinney; Titel Jurca; Serge Gorelsky; Tara Burchell; Darrin Richeson","The 2,2'-diindolylmethane dianion supporting scaffold for group 15 compounds","Inorganica Chimica Acta","2012","392","","5","9","10.1016/j.ica.2012.06.019","","","0.71073","MoKα","","0.1001","0.056","","","0.1224","0.138","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512680","15.0967","0.0005","15.7021","0.0005","16.8468","0.0006","90","","90","","90","","3993.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cl Cu N3 O5 -","- C16 H26 Cl Cu N3 O5 -","- C128 H208 Cl8 Cu8 N24 O40 -","8","1","","Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari","Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study","Inorganica Chimica Acta","2012","393","","1","9","10.1016/j.ica.2012.07.022","","","0.71073","MoKα","","0.0404","0.0331","","","0.0892","0.1061","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512705","7.8485","0.0015","9.915","0.0018","38.212","0.007","90","","90","","90","","2973.6","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 N O Pd Se -","- C12 H17 Cl2 N O Pd Se -","- C96 H136 Cl16 N8 O8 Pd8 Se8 -","8","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0439","0.0374","","","0.0838","0.0862","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512707","7.739","0.0019","9.812","0.002","37.95","0.009","90","","90","","90","","2881.7","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 N O Pd S -","- C12 H17 Cl2 N O Pd S -","- C96 H136 Cl16 N8 O8 Pd8 S8 -","8","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0376","0.0343","","","0.0853","0.0871","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512746","15.9769","0.0019","18.674","0.002","27.258","0.003","90","","90","","90","","8132.5","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H57 N3 O2 Sr -","- C43 H57 N3 O2 Sr -","- C344 H456 N24 O16 Sr8 -","8","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.1199","0.047","","","0.1132","0.1573","","","","","","0.838","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512781","6.9683","0.0008","14.1302","0.0016","22.426","0.003","90","","90","","90","","2208.1","0.5","98","2","98","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Co3 N10 O12 P2 -","- C12 H18 Co3 N10 O12 P2 -","- C48 H72 Co12 N40 O48 P8 -","4","0.5","","Kari Darling; Jon Zubieta","Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system","Inorganica Chimica Acta","2013","394","","512","518","10.1016/j.ica.2012.08.030","","","0.71073","MoKα","","0.0373","0.0302","","","0.0762","0.0824","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512798","11.22","0.003","16.927","0.004","30.679","0.008","90","","90","","90","","5827","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 N4 P Ru S -","- C29 H27 Cl2 N4 P Ru S -","- C232 H216 Cl16 N32 P8 Ru8 S8 -","8","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal","Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole","Inorganica Chimica Acta","2013","394","","583","590","10.1016/j.ica.2012.09.011","","","0.71073","MoKα","","0.084","0.0568","","","0.109","0.1217","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512799","11.3207","0.0002","17.7526","0.0004","30.2606","0.0006","90","","90","","90","","6081.5","0.2","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 I2 N4 P Ru S -","- C29 H27 I2 N4 P Ru S -","- C232 H216 I16 N32 P8 Ru8 S8 -","8","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal","Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole","Inorganica Chimica Acta","2013","394","","583","590","10.1016/j.ica.2012.09.011","","","0.71073","MoKα","","0.0817","0.0621","","","0.1633","0.1787","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512843","16.524","0.004","7.958","0.002","21.913","0.004","90","","90","","90","","2881.5","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cl2 Cu2 N8 O6 -","- C26 H22 Cl2 Cu2 N8 O6 -","- C104 H88 Cl8 Cu8 N32 O24 -","4","0.5","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.0705","0.0587","","","0.1441","0.1497","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512862","14.831","0.0013","15.8627","0.0014","16.9169","0.0012","90","","90","","90","","3979.9","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Fe N6 S6 -","- C14 H8 Fe N6 S6 -","- C112 H64 Fe8 N48 S48 -","8","1","","Anita Abedi; Vahid Amani; Roman Boca; Lubor Dlhan; Hamid Reza Khavasi; Nasser Safari","Bis(isothiocyanato)iron(II) complexes with bithiazole ligands: Structure and magnetic studies","Inorganica Chimica Acta","2013","395","","58","66","10.1016/j.ica.2012.10.037","","","0.71073","MoKα","","0.1621","0.0824","","","0.1213","0.1437","","","","","","1.103","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512924","12.654","0.0013","12.9686","0.0013","19.864","0.002","90","","90","","90","","3259.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H22 Br3 La O9 -","- C2 H22 Br3 La O9 -","- C16 H176 Br24 La8 O72 -","8","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0194","0.0158","","","0.0333","0.0344","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512932","16.998","0.002","17.515","0.002","32.617","0.005","90","","90","","90","","9711","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 N4 Nd -","- C20 H20 Br3 N4 Nd -","- C320 H320 Br48 N64 Nd16 -","16","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0866","0.0386","","","0.0619","0.0796","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512963","10.9446","0.0018","13.11","0.002","10.945","","90","","90","","90","","1570.4","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Ba N6 O2 S2 -","- C8 H16 Ba N6 O2 S2 -","- C32 H64 Ba4 N24 O8 S8 -","4","0.5","","Wenjun Zheng; Dongming Yang","1,2,4-Triazolato barium complex: The layered polymeric planar structure with an nu2-nu2,nu1 bridging coordination","Inorganica Chimica Acta","2013","396","","21","24","10.1016/j.ica.2012.12.027","","","0.71073","MoKα","","0.0216","0.0169","","","0.0486","0.0528","","","","","","0.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512976","11.8253","0.0018","17.268","0.003","19.299","0.003","90","","90","","90","","3940.8","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 Zn -","- C21 H19 N3 O4 Zn -","- C168 H152 N24 O32 Zn8 -","8","1","","De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu","Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks","Inorganica Chimica Acta","2013","396","","84","91","10.1016/j.ica.2012.10.006","","","0.71073","MoKα","","0.1186","0.0641","","","0.1718","0.2067","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1513028","17.8084","0.0006","18.8997","0.0006","24.4847","0.0007","90","","90","","90","","8240.9","0.4","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-(Diaqua-tris(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-disilver(i)) diacetate","","- C34 H51.12 Ag2 N12 O5.56 -","- C34 H51.122 Ag2 N12 O5.561 -","- C272 H408.976 Ag16 N96 O44.488 -","8","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0374","0.0249","","","0.0665","0.0694","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513043","9.9537","0.0015","9.6632","0.0015","16.173","0.003","90","","90","","90","","1555.6","0.4","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","D,L-mandelic acid redetermination","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.058","0.041","","","0.1244","0.144","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513057","13.526","0.002","15.045","0.002","16.533","0.003","90","","90","","90","","3364.4","0.9","202","2","202","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1-(2-chloroethyl)piperidinium 5-sulfosalicylicilate","","","- C14 H20 Cl N O6 S -","- C14 H20 Cl N O6 S -","- C112 H160 Cl8 N8 O48 S8 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0912","0.0752","","","0.1959","0.2123","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513080","13.5214","0.0005","16.1932","0.0008","22.1855","0.0009","90","","90","","90","","4857.6","0.4","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H26 F6 N Na O10 S2 -","- C14 H26 F6 N Na O10 S2 -","- C112 H208 F48 N8 Na8 O80 S16 -","8","1","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.0604","","","","0.1588","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513128","17.494","0.0015","10.8153","0.0008","27.104","0.002","90","","90","","90","","5128.2","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Br O6 S2 -","- C28 H25 Br O6 S2 -","- C224 H200 Br8 O48 S16 -","8","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-Catalyzed Domino Reaction: An Efficient Method for the Synthesis of Bicyclo[3.2.0]heptenes Skeleton.","Organic letters","2013","15","22","5758","5761","10.1021/ol402799w","","","0.71075","MoKα","","0.0336","0.0301","","","0.0725","0.0743","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513157","10.6801","0.0004","8.9717","0.0003","26.3836","0.001","90","","90","","90","","2528.04","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.56086","AgKα","","0.0407","0.0348","","","0.0865","0.0893","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513171","10.5942","0.001","9.8494","0.0013","19.646","0.002","90","","90","","90","","2050","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H2 N2 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides","Ecotoxicology and Environmental Safety","2013","91","","86","95","10.1016/j.ecoenv.2013.01.010","","","0.71073","MoKα","","0.1585","0.1396","","","0.2466","0.251","","","","","","2.575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513278","12.149","0.002","15.807","0.003","17.735","0.003","90","","90","","90","","3405.8","1","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 B N Se -","- C21 H16 B N Se -","- C168 H128 B8 N8 Se8 -","8","1","","Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki","Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain","Macromolecules","2009","42","8","2988","","10.1021/ma900008m","","","0.71075","MoKα","","0.2296","0.0654","","","0.0522","0.0731","","","","","","0.916","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513279","12.08","0.002","15.806","0.004","17.537","0.005","90","","90","","90","","3348.5","1.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 B N S -","- C21 H16 B N S -","- C168 H128 B8 N8 S8 -","8","1","","Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki","Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain","Macromolecules","2009","42","8","2988","","10.1021/ma900008m","","","0.71075","MoKα","","0.2047","0.0892","","","0.1214","0.1524","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513497","14.849","0.003","12.95","0.003","30.051","0.005","90","","90","","90","","5779","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H48 Cl4 N12 O4 -","- C59 H48 Cl4 N12 O4 -","- C236 H192 Cl16 N48 O16 -","4","0.5","","Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali","Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.","Organic letters","2014","16","3","920","923","10.1021/ol403672p","","","0.7107","MoKα","","0.0888","0.0682","","","0.1693","0.1819","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513511","7.6857","0.0015","15.248","0.003","28.403","0.006","90","","90","","90","","3328.6","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 F6 N2 -","- C18 H10 F6 N2 -","- C144 H80 F48 N16 -","8","1","","Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo","AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.","Organic letters","2014","16","1","102","105","10.1021/ol403083e","","","1.54178","CuKα","","0.0359","0.0337","","","0.0897","0.0915","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513529","11.6106","0.0009","9.0413","0.0007","24.953","0.002","90","","90","","90","","2619.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Zn -","- C28 H28 N4 O8 Zn -","- C112 H112 N16 O32 Zn4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.105","0.1037","","","0.1946","0.1953","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513530","13.867","0.002","12.856","0.002","15.535","0.002","90","","90","","90","","2769.5","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N4 O9 -","- C28 H30 N4 O9 -","- C112 H120 N16 O36 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.15","0.0881","","","0.2659","0.3191","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513531","14.1047","0.0006","12.6047","0.0005","15.526","0.0007","90","","90","","90","","2760.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Pd -","- C28 H28 N4 O8 Pd -","- C112 H112 N16 O32 Pd4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.075","0.0354","","","0.0936","0.1086","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513551","18.1408","0.001","15.6808","0.0006","19.7387","0.001","90","","90","","90","","5614.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl2 O2 Pd2 S2 -","- C28 H26 Cl2 O2 Pd2 S2 -","- C224 H208 Cl16 O16 Pd16 S16 -","8","1","","Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong","Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.","Organic letters","2014","16","1","46","49","10.1021/ol402921w","","","0.71073","MoKα","","0.0512","0.0331","","","0.066","0.0739","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513555","7.8959","0.0011","13.193","0.0018","25.493","0.004","90","","90","","90","","2655.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl2 O -","- C16 H10 Cl2 O -","- C128 H80 Cl16 O8 -","8","1","","Yuan, Weiming; Ma, Shengming","Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides.","Organic letters","2014","16","1","193","195","10.1021/ol4032254","","","0.71073","MoKα","","0.0436","0.0396","","","0.1022","0.1062","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513604","19.3405","0.0008","11.3692","0.0003","25.8709","0.0008","90","","90","","90","","5688.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Cl3 N6 O6 Ru -","- C27 H22 Cl3 N6 O6 Ru -","- C216 H176 Cl24 N48 O48 Ru8 -","8","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.0752","0.0433","","","0.0905","0.1038","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513651","9.7184","0.0001","11.6807","0.0002","35.4816","0.0005","90","","90","","90","","4027.79","0.1","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H35 P -","- C22 H35 P -","- C176 H280 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.037","0.0356","","","0.0951","0.0964","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513667","7.6612","0.0001","13.3624","0.0001","28.3524","0.0003","90","","90","","90","","2902.49","0.05","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","RajanBabu1748","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C112 H120 N24 O24 S8 -","8","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.053","0.0322","","","0.0769","0.0829","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513694","8.8131","0.0015","13.356","0.002","26.551","0.005","90","","90","","90","","3125.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trifluoro-1,4,7-trimethyl-1,4,7-triazonane-aluminium(III) hydrate","","- C9 H29 Al F3 N3 O4 -","- C9 H29 Al F3 N3 O4 -","- C72 H232 Al8 F24 N24 O32 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.1239","0.0791","","","0.1685","0.1957","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513731","17.177","0.003","19.182","0.003","24.723","0.004","90","","90","","90","","8146","2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C288 H264 B8 F48 N88 O52 Pd8 S16 -","8","1","","Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias","Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.)","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","169","","10.1039/C3SC52367E","","","0.71073","MoKα","","0.0727","0.0495","","","0.1298","0.1474","","","","","","1.069","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513737","22.486","0.0007","16.5586","0.0005","28.6689","0.0011","90","","90","","90","","10674.5","0.6","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H48 N8 O9 S4 Zn2 -","- C57 H48 N8 O9 S4 Zn2 -","- C456 H384 N64 O72 S32 Zn16 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1322","0.0851","","","0.224","0.2581","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513741","12.1889","0.0005","8.9564","0.0004","20.1062","0.0009","90","","90","","90","","2194.97","0.17","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.052","0.0382","","","0.0942","0.1022","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513759","16.0572","0.0004","13.6979","0.0003","17.9652","0.0004","90","","90","","90","","3951.44","0.16","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C216 H144 N16 -","8","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0658","0.0497","","","0.131","0.1466","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513794","11.6307","0.0005","12.5277","0.0005","33.4761","0.0014","90","","90","","90","","4877.7","0.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0495","0.0426","","","0.119","0.1254","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513812","10.3289","0.0019","12.271","0.002","27.811","0.005","90","","90","","90","","3524.9","1.1","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 F4 N O2 S -","- C18 H17 F2.719 N O2 S -","- C144 H136 F21.752 N8 O16 S8 -","8","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71073","MoKα","","0.0558","0.0491","","","0.1283","0.134","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513948","7.968","0.0016","15.3","0.003","16.954","0.003","90","","90","","90","","2066.9","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-(methylsulfonyl)-2-(trifluoromethyl)aniline","","","- C8 H8 F3 N O2 S -","- C8 H8 F3 N O2 S -","- C64 H64 F24 N8 O16 S8 -","8","1","","Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing","Visible-light-promoted radical C-h trifluoromethylation of free anilines.","Organic letters","2014","16","6","1768","1771","10.1021/ol500469a","","","0.71073","MoKα","","0.1027","0.059","","","0.1537","0.1802","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514103","9.4118","0.0008","9.4177","0.0007","9.4233","0.0007","90","","90","","90","","835.26","0.11","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Manganese(III) Oxide - Alpha","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","2","","Norrestam, R.","Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry","Acta Chemica Scandinavica (1-27,1973-42,1988)","1967","21","","2871","2884","10.3891/acta.chem.scand.21-2871","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514122","18.444","0.005","15.948","0.004","25.573","0.006","90","","90","","90","","7522","3","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H38 N6 O5 -","- C48 H38 N6 O5 -","- C384 H304 N48 O40 -","8","1","","Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures.","The journal of physical chemistry. A","2014","118","12","2288","2297","10.1021/jp412672a","","","0.71073","MoKα","","0.1114","0.0619","","","0.1351","0.1579","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514125","13.4011","0.0003","21.5414","0.0003","48.6745","0.001","90","","90","","90","","14051.3","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cl2 Fe P2 -","- C39 H48 Cl2 Fe P2 -","- C624 H768 Cl32 Fe16 P32 -","16","2","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0887","0.0756","","","0.2008","0.2117","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514137","15.98","0.003","14.393","0.002","24.368","0.004","90","","90","","90","","5604.6","1.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Fe N2 O -","- C27 H35 Cl3 Fe N2 O -","- C216 H280 Cl24 Fe8 N16 O8 -","8","1","","Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A.","Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates","Chemical Science","2014","5","4","1526","","10.1039/c3sc52533c","","","0.71073","MoKα","","0.0968","0.0594","","","0.1406","0.1665","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514202","15.5492","0.0008","10.0774","0.0005","19.0625","0.001","90","","90","","90","","2987","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C144 H168 N24 O8 -","8","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0326","0.0326","","","0.0792","0.0792","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514218","16.8408","0.001","14.2476","0.0008","19.6198","0.0011","90","","90","","90","","4707.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C224 H224 O32 -","8","1","","Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin","AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives.","Organic letters","2014","16","7","1856","1859","10.1021/ol500136x","","","0.71073","MoKα","","0.0614","0.0428","","","0.1118","0.1248","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514247","15.741","0.004","16.454","0.005","18.665","0.006","90","","90","","90","","4834","2","198","","198","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(G2)2-LiTDI","","- C18 H28 F3 Li N4 O6 -","- C18 H28 F3 Li N4 O6 -","- C144 H224 F24 Li8 N32 O48 -","8","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.11","0.0785","","","0.2137","0.2423","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514256","9.8687","0.0009","12.9702","0.0011","29.514","0.003","90","","90","","90","","3777.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","13214z","","","- C20 H18 Cl N O4 S -","- C20 H18 Cl N O4 S -","- C160 H144 Cl8 N8 O32 S8 -","8","1","","He, Shuzhong; Hsung, Richard P; Presser, William R; Ma, Zhi-Xiong; Haugen, Bryan J","An Approach to Cyclohepta[b]indoles through an Allenamide (4 + 3) Cycloaddition-Grignard Cyclization-Chugaev Elimination Sequence.","Organic letters","2014","16","8","2180","2183","10.1021/ol5006455","","","1.54178","CuKα","","0.0649","0.0451","","","0.0955","0.1063","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514295","14.0939","0.0012","19.1285","0.0016","26.663","0.002","90","","90","","90","","7188.2","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 F3 N3 O3 Pt S -","- C37 H30 F3 N3 O3 Pt S -","- C296 H240 F24 N24 O24 Pt8 S8 -","8","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0347","0.0269","","","0.0588","0.0609","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514318","17.9132","0.0006","11.6738","0.0004","21.3034","0.0008","90","","90","","90","","4454.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mo N2 O4 -","- C22 H24 Mo N2 O4 -","- C176 H192 Mo8 N16 O32 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.0315","0.024","","","0.0601","0.0647","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514320","17.8251","0.0009","11.6986","0.0006","21.3193","0.0011","90","","90","","90","","4445.7","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 W -","- C22 H24 N2 O4 W -","- C176 H192 N16 O32 W8 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.02","0.0159","","","0.0364","0.0387","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514329","8.117","0.003","20.123","0.008","20.541","0.008","90","","90","","90","","3355","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl2 O Pd S2 -","- C15 H16 Cl2 O Pd S2 -","- C120 H128 Cl16 O8 Pd8 S16 -","8","1","","Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar","Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.","Nanoscale","2014","6","9","4588","4597","10.1039/c3nr06586c","","","0.71073","MoKα","","0.0547","0.0426","","","0.1124","0.1191","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514431","19.744","0.004","19.587","0.004","32.31","0.007","90","","90","","90","","12495","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H44 Br4 N8 O7 -","- C62 H44 Br4 N8 O7 -","- C496 H352 Br32 N64 O56 -","8","1","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.1787","0.0895","","","0.2549","0.3053","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514486","18.9604","0.001","9.3522","0.0006","19.2687","0.0012","90","","90","","90","","3416.8","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxybenzyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol- 2-ium chloride deuterohydrate","","- C18 H18 Cl D2 N3 O2 -","- C18 H18 Cl D2 N3 O2 -","- C144 H144 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0391","0.0303","","","0.0731","0.0798","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514487","19.2697","0.0016","9.5129","0.0008","19.6896","0.0016","90","","90","","90","","3609.3","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-paramethylbenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C19 H20 Cl D2 N3 O2 -","- C19 H20 Cl D2 N3 O2 -","- C152 H160 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.1355","0.0475","","","0.0938","0.1198","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514488","18.8845","0.0008","9.4266","0.0004","19.2915","0.0009","90","","90","","90","","3434.2","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-parafluorobenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C18 H17 Cl D2 F N3 O2 -","- C18 H17 Cl D2 F N3 O2 -","- C144 H136 Cl8 D16 F8 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0439","0.0319","","","0.0773","0.0863","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514588","14.8187","0.0006","19.5498","0.0008","28.0267","0.0011","90","","90","","90","","8119.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","IPrAuPMes2","","","- C45 H58 Au N2 P -","- C45 H58 Au N2 P -","- C360 H464 Au8 N16 P8 -","8","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0704","0.0402","","","0.0793","0.0922","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514602","9.3855","0.0003","9.7769","0.0003","26.717","0.0007","90","","90","","90","","2451.58","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0368","0.0353","","","0.0988","0.1","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514603","9.4924","0.0005","9.8406","0.0005","26.8817","0.0013","90","","90","","90","","2511","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0555","0.0482","","","0.1463","0.1551","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514625","14.86","0.003","17.21","0.003","45.3","0.009","90","","90","","90","","11585","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C59 H82 Mg2 N4 O S2 -","- C59 H82 Mg2 N4 O S2 -","- C472 H656 Mg16 N32 O8 S16 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.7108","Synchrotron","","0.1105","0.0989","","","0.2167","0.2218","","","","","","1.22","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514638","14.135","0.003","21.331","0.004","31.17","0.006","90","","90","","90","","9398","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0793","0.059","","","0.1524","0.1764","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514639","14.338","0.003","21.619","0.004","31.136","0.006","90","","90","","90","","9651","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 B2 F8 N10 Rh2 -","- C42 H48 B2 F8 N10 Rh2 -","- C336 H384 B16 F64 N80 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0374","0.0262","","","0.059","0.066","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514641","14.126","0.003","21.399","0.004","31.434","0.006","90","","90","","90","","9502","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.068","0.0443","","","0.101","0.1133","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514644","9.79459","0.00015","10.18235","0.00018","34.1007","0.0007","90","","90","","90","","3400.93","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.051","0.0481","","","0.1294","0.132","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514741","21.8628","0.0013","22.1892","0.0011","31.9347","0.0014","90","","90","","90","","15492.1","1.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Li N2 Zn -","- C39 H63 Li N2 Zn -","- C624 H1008 Li16 N32 Zn16 -","16","2","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.2203","0.0897","","","0.1845","0.2639","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514750","10.6981","0.0004","14.3379","0.0007","26.3743","0.0011","90","","90","","90","","4045.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 B2 N2 O -","- C26 H22 B2 N2 O -","- C208 H176 B16 N16 O8 -","8","1","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0595","0.0445","","","0.1119","0.1211","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514761","10.2738","0.0001","11.207","0.0001","19.0373","0.0002","90","","90","","90","","2191.93","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Farmer, Rebecca L.; Scheidt, Karl A.","A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3304","3309","10.1039/C3SC50424G","","","0.71073","MoKα","","0.0441","0.0357","","","0.0964","0.1013","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514766","22.0395","0.0005","16.0165","0.0004","39.3819","0.0007","90","","90","","90","","13901.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C58 H76.5 Br6 Dy N9 O13.25 Zn2 -","- C464 H612 Br48 Dy8 N72 O106 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1014","0.0821","","","0.2161","0.2339","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514767","20.5186","0.0014","16.4699","0.0011","37.585","0.003","90","","90","","90","","12701.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C432 H496 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1746","0.0725","","","0.1359","0.1736","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514768","21.893","0.0015","15.9613","0.0015","39.306","0.003","90","","90","","90","","13735.1","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C55 H64 Br6 Dy N9 O10 Zn2 -","- C440 H512 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.183","0.0924","","","0.2242","0.2621","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514789","9.7242","0.0001","17.6641","0.0002","25.6425","0.0002","90","","90","","90","","4404.59","0.08","173","0.14","173","0.14","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","1","","Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics","Chemical Science","2013","4","9","3725","","10.1039/c3sc50648g","","x-ray","1.5418","CuKα","","0.0355","0.032","","","0.0835","0.0865","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514792","9.7761","0.0009","14.7382","0.001","24.0669","0.0016","90","","90","","90","","3467.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl3 N O2 -","- C16 H14 Cl3 N O2 -","- C128 H112 Cl24 N8 O16 -","8","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1182","0.0901","","","0.2524","0.2826","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514808","7.768","0.002","12.985","0.003","19.423","0.004","90","","90","","90","","1959.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N2 P -","- C6 H13 Cl2 N2 P -","- C48 H104 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0358","0.0316","","","0.0845","0.0879","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514813","12.8424","0.0006","12.65","0.0006","13.2356","0.0006","90","","90","","90","","2150.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl4 N2 Si -","- C5 H10 Cl4 N2 Si -","- C40 H80 Cl32 N16 Si8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0427","0.0288","","","0.0715","0.0819","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514886","12.5135","0.0007","8.2914","0.0004","41.841","0.002","90","","90","","90","","4341.2","0.4","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N5 O2 -","- C24 H29 N5 O2 -","- C192 H232 N40 O16 -","8","1","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.0751","0.0573","","","0.1516","0.1697","","","","","","1.266","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514897","17.7224","0.0011","9.6794","0.0006","19.248","0.0011","90","","90","","90","","3301.8","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H56 O2 Zn2 -","- C34 H56 O2 Zn2 -","- C136 H224 O8 Zn8 -","4","0.5","","Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert","Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization","Polymer Chemistry","2013","4","17","4718","","10.1039/c3py00506b","","","0.71073","MoKα","","0.0372","0.0289","","","0.075","0.0827","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514905","9.1328","0.0006","9.0544","0.0005","39.49","0.004","90","","90","","90","","3265.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N4 O8 S Zn -","- C12 H16 N4 O8 S Zn -","- C96 H128 N32 O64 S8 Zn8 -","8","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0782","0.0571","","","0.1038","0.1124","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514949","21.7477","0.0009","13.4689","0.0006","35.5044","0.0011","90","","90","","90","","10399.9","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 O2 Si -","- C32 H26 O2 Si -","- C512 H416 O32 Si16 -","16","2","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0958","0.0456","","","0.077","0.0847","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514991","16.1008","0.0013","16.9634","0.0013","25.931","0.002","90","","90","","90","","7082.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[SiP(iPr)3]Ni-CH3","","","- C37 H57 Ni P3 Si -","- C37 H57 Ni P3 Si -","- C296 H456 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0482","0.0356","","","0.0848","0.0939","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514994","26.3375","0.0011","19.5435","0.0008","27.2078","0.001","90","","90","","90","","14004.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","{[SiP(iPr)3]Ni-CO}{BArF}","","","- C69 H66 B Cl F24 Ni O P3 Si -","- C68.873 H66 B Cl0.127 F24 Ni O0.873 P3 Si -","- C550.984 H528 B8 Cl1.016 F192 Ni8 O6.984 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0832","0.054","","","0.1278","0.1443","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515112","28.784","0.003","28.621","0.003","13.801","0.0013","90","","90","","90","","11370","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SIMesBr2","","","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C360 H440 Br32 Cl72 N32 -","16","2","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0885","0.0577","","","0.134","0.1514","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515140","7.3925","0.0003","12.3693","0.0006","19.4209","0.0009","90","","90","","90","","1775.85","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 D4 Fe -","- C12 H12 Fe -","- C96 H96 Fe8 -","8","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0281","0.0222","","","0.0554","0.0591","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515290","7.7387","0.0005","24.7405","0.0018","27.364","0.002","90","","90","","90","","5239.1","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl N3 O P Pd S -","- C27 H23 Cl N3 O P Pd S -","- C216 H184 Cl8 N24 O8 P8 Pd8 S8 -","8","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0595","0.0329","","","0.062","0.0714","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515312","12.847","0.005","8.845","0.004","32.399","0.013","90","","90","","90","","3682","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C200 H136 N8 O16 -","8","1","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.1192","0.0535","","","0.1219","0.1569","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515375","7.756","0.006","10.12","0.007","37.38","0.03","90","","90","","90","","2934","4","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O S -","- C15 H22 N2 O S -","- C120 H176 N16 O8 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1142","0.097","","","0.2373","0.2504","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515448","7.7628","0.0009","11.1348","0.0013","32.262","0.004","90","","90","","90","","2788.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.0582","0.0423","","","0.109","0.128","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515463","18.526","0.004","22.046","0.004","23.559","0.005","90","","90","","90","","9622","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H46 F12 N8 P2 Pt2 -","- C47 H46 F12 N8 P2 Pt2 -","- C376 H368 F96 N64 P16 Pt16 -","8","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","1.54178","CuKα","","0.0539","0.0433","","","0.1026","0.1107","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515476","11.699","0.003","15.37","0.004","45.229","0.011","90","","90","","90","","8133","4","139","2","139","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H69 P5 Pt2 -","- C34 H69 P5 Pt2 -","- C272 H552 P40 Pt16 -","8","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.1243","0.0482","","","0.0799","0.0965","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515527","12.3076","0.0003","9.776","0.0003","26.6952","0.0007","90","","90","","90","","3211.94","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0504","0.0407","","","0.1041","0.111","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515535","12.7496","0.001","10.619","0.0012","22.4445","0.0018","90","","90","","90","","3038.7","0.5","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.1217","0.0761","","","0.1951","0.2347","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515570","18.7505","0.0012","7.0987","0.0004","20.0419","0.0012","90","","90","","90","","2667.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C120 H80 Br16 N16 -","8","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0561","0.0357","","","0.0785","0.0854","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515587","19.9166","0.0018","19.1716","0.0018","21.779","0.002","90","","90","","90","","8315.9","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 N3 O3 Si Ti -","- C40 H63 N3 O3 Si Ti -","- C320 H504 N24 O24 Si8 Ti8 -","8","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","0.71073","MoKα","","0.062","0.0427","","","0.0987","0.1113","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515637","17.3775","0.0012","17.494","0.0012","24.6892","0.0017","90","","90","","90","","7505.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H88 N32 Ni4 O16 -","- C56 H88 N32 Ni4 O16 -","- C224 H352 N128 Ni16 O64 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1346","0.0702","","","0.1688","0.2018","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515668","19.5019","0.001","16.3963","0.0007","21.7273","0.0011","90","","90","","90","","6947.5","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 B F12 N2 O P -","- C36 H36 B F12 N2 O P -","- C288 H288 B8 F96 N16 O8 P8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0768","0.0421","","","0.0894","0.1042","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515693","11.8469","0.0007","8.7118","0.0005","28.9529","0.0017","90","","90","","90","","2988.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N2 O12 Zn -","- C28 H36 N2 O12 Zn -","- C112 H144 N8 O48 Zn4 -","4","0.5","","Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota","Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.","Metallomics : integrated biometal science","2011","3","7","675","679","10.1039/c1mt00009h","","","0.71073","MoKα","","0.0483","0.0333","","","0.0889","0.1041","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515695","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.166","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515722","7.5432","0.0006","11.7934","0.0009","11.8041","0.0009","90","","90","","90","","1050.09","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F N -","- C13 H10 F N -","- C52 H40 F4 N4 -","4","0.5","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.06","0.0486","","","0.1263","0.1376","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515812","18.1601","0.0005","19.1808","0.0005","20.2261","0.0005","90","","90","","90","","7045.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H50 N P2 V -","- C38 H50 N P2 V -","- C304 H400 N8 P16 V8 -","8","1","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.41328","synchrotron","","0.044","0.0319","","","0.0795","0.0876","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515873","10.8837","0.001","9.9484","0.001","24.339","0.002","90","","90","","90","","2635.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0643","0.0387","","","0.0812","0.0908","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515887","12.8758","0.0003","17.5058","0.0004","18.2986","0.0004","90","","90","","90","","4124.53","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0608","0.0507","","","0.1066","0.1113","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515919","13.0065","0.0007","12.4226","0.0006","21.8351","0.0011","90","","90","","90","","3528","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 B F2 N2 -","- C23 H15 B F2 N2 -","- C184 H120 B8 F16 N16 -","8","1","","Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William","Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","1009","1017","10.1039/c0pp00039f","","","0.71073","MoKα","","0.0673","0.0426","","","0.0924","0.0972","","","","","","0.964","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515927","16.1137","0.0008","8.8958","0.0004","22.983","0.0012","90","","90","","90","","3294.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N -","- C22 H19 N -","- C176 H152 N8 -","8","1","","Greenberg, Sharonna; Stephan, Douglas W.","Hydroamination as a route to nitrogen-containing oligomers","Polymer Chemistry","2010","1","8","1332","","10.1039/c0py00120a","","","0.71073","MoKα","","0.092","0.0566","","","0.148","0.1711","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515983","12.802","0.005","19.593","0.005","25.555","0.005","90","0.005","90","0.005","90","0.005","6410","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C288 H352 N32 O32 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1482","0.0999","","","0.2462","0.2831","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515984","29.124","0.005","8.811","0.005","29.171","0.005","90","","90","","90","","7486","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H46 N2 O8 S2 -","- C40 H38 N2 O4 S2 -","- C320 H304 N16 O32 S16 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1095","0.0705","","","0.1802","0.2061","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515988","10.915","0.004","10.002","0.003","27.209","0.009","90","","90","","90","","2970.5","1.7","188","1","188","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.1129","0.0607","","","0.1353","0.1642","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516061","9.5653","0.0014","10.45","0.0013","30.655","0.005","90","","90","","90","","3064.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","1.54178","CuKα","","0.1054","0.0784","","","0.1744","0.1857","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516140","16.815","0.0002","17.575","0.0002","28.6833","0.0004","90","","90","","90","","8476.59","0.18","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47.38 B Cl Ir N4 O0.19 -","- C48 H47.384 B Cl Ir N4 O0.192 -","- C384 H379.072 B8 Cl8 Ir8 N32 O1.536 -","8","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0342","0.0217","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516172","12.306","0.003","9.48","0.002","18.766","0.004","90","","90","","90","","2189.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 B F2 N4 -","- C10 H9 B F2 N4 -","- C80 H72 B8 F16 N32 -","8","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.147","0.0474","","","0.0952","0.1272","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516235","11.5879","0.0002","11.617","0.0002","19.7761","0.0004","90","","90","","90","","2662.19","0.08","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K.","Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling.","Organic letters","2014","16","11","3086","3089","10.1021/ol5011906","","","0.71073","MoKα","","0.0566","0.0381","","","0.0965","0.1048","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516265","14.7042","0.0004","8.8119","0.0003","27.6407","0.0007","90","","90","","90","","3581.46","0.18","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 O -","- C24 H16 N2 O -","- C192 H128 N16 O8 -","8","1","","Dong, Jiaxing; Wang, Fei; You, Jingsong","Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes.","Organic letters","2014","16","11","2884","2887","10.1021/ol501023n","","","0.7107","MoKα","","0.0834","0.0474","","","0.0893","0.1051","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516273","16.1537","0.0003","19.955","0.0004","22.8279","0.0005","90","","90","","90","","7358.5","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C76 H118 B2 K2 O8 -","- C76 H118 B2 K2 O8 -","- C304 H472 B8 K8 O32 -","4","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0805","0.0701","","","0.2082","0.2222","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516332","23.517","0.018","21.766","0.018","14.71","0.01","90","","90","","90","","7530","10","223","","223","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H55 F3 O3 P2 Pd S Si -","- C38 H55 F3 O3 P2 Pd S Si -","- C304 H440 F24 O24 P16 Pd8 S8 Si8 -","8","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.097","0.0634","","","0.1291","0.1433","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516376","17.4174","0.0002","7.0176","0.0001","19.344","0.0002","90","","90","","90","","2364.39","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C80 H112 N32 O48 -","8","1","","Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi","New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.","The journal of physical chemistry. A","2009","113","42","11354","11366","10.1021/jp902517x","","","0.71073","MoKα","","0.0497","0.0367","","","0.0901","0.0981","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516381","15.7","0.0013","6.8425","0.0006","33.139","0.003","90","","90","","90","","3560","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C184 H144 N16 -","8","1","","Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.","The journal of physical chemistry. A","2009","113","17","4868","4877","10.1021/jp807748t","","","0.71073","MoKα","","0.1265","0.0878","","","0.1902","0.2161","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516462","19.6725","0.0012","18.2791","0.0011","12.5149","0.0007","90","","90","","90","","4500.3","0.5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 S -","- C29 H22 N2 O2 S -","- C232 H176 N16 O16 S8 -","8","1","","Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.","Organic letters","2014","16","11","3138","3141","10.1021/ol5012604","","","0.71075","MoKα","","","0.0404","","","","0.058","","","","","","1.331","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516490","26.9628","0.0009","15.3036","0.0004","6.9176","0.0002","90","","90","","90","","2854.39","0.15","295","1","295","1","","","","","","","LCSV","3","P b c a","-P 2ac 2ab","61","Flavanone 5","","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","","Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain","Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model","Photochemical & Photobiological Sciences","2003","2","9","914","920","10.1039/b301229h","","","0.71073","MoKα","","","0.049","","0.123","","","","","0.999","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516498","16.1351","0.0009","15.7795","0.0012","21.2316","0.0015","90","","90","","90","","5405.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C272 H224 N16 O32 -","8","1","","Frischmann, Peter D.; Jiang, Jian; Hui, Joseph K.-H.; Grzybowski, Joseph J.; MacLachlan, Mark J.","Reversible-irreversible approach to Schiff base macrocycles: access to isomeric macrocycles with multiple salphen pockets.","Organic letters","2008","10","6","1255","1258","10.1021/ol8001317","","","0.71073","MoKα","","0.0934","0.0437","","","0.1013","0.1255","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516538","15.3898","0.0003","18.4053","0.0003","21.8004","0.0004","90","","90","","90","","6175.05","0.19","123","1","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C30 H45 As2 Cr3 -","- C30 H45 As2 Cr3 -","- C240 H360 As16 Cr24 -","8","1","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0284","0.028","","","0.0754","0.0757","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516562","14.3661","0.0007","12.0848","0.0006","18.962","0.0009","90","","90","","90","","3292","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H29 B N2 -","- C15 H29 B N2 -","- C120 H232 B8 N16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0694","0.0559","","","0.144","0.1541","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516588","10.4251","0.0006","20.765","0.0012","44.289","0.003","90","","90","","90","","9587.6","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H73 N Si Th -","- C47 H73 N Si Th -","- C376 H584 N8 Si8 Th8 -","8","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0457","0.0324","","","0.0636","0.0664","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516611","11.398","0.001","15.357","0.001","16.312","0.001","90","","90","","90","","2855.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","1","","Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann","Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths","Photochemical & Photobiological Sciences","2002","1","4","237","","10.1039/b200448h","","","0.71073","MoKα","","0.0595","0.0403","","","0.091","0.0998","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516617","17.47","0.002","11.704","0.002","18.731","0.004","90","","90","","90","","3829.9","1.1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.1533","0.0656","","0.1715","0.135","","","","1.082","1.324","1.324","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516718","12.859","0.005","15.737","0.006","25.688","0.01","90","","90","","90","","5198","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1182","0.0768","","","0.1763","0.2019","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516720","12.852","0.005","15.692","0.005","25.641","0.008","90","","90","","90","","5171","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1022","0.0763","","","0.1726","0.1886","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516741","11.2885","0.0005","14.123","0.0006","17.4374","0.0007","90","","90","","90","","2780","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O3 S2 -","- C17 H12 O3 S2 -","- C136 H96 O24 S16 -","8","1","","Sugiyasu, Kazunori; Song, Changsik; Swager, Timothy M.","Aromaticity in Tropone-Containing Polythiophene","Macromolecules","2006","39","17","5598","","10.1021/ma061423+","","","0.71073","MoKα","","0.0332","0.0312","","","0.0841","0.0861","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516746","14.8638","0.0006","15.4624","0.0006","16.3768","0.0006","90","","90","","90","","3763.9","0.3","277.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 B N O3 -","- C24 H18 B N O3 -","- C192 H144 B8 N8 O24 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio","Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.","Organic letters","2006","8","4","761","764","10.1021/ol053026+","","","0.7107","MoKα","","","0.0677","","","","0.1602","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516760","7.4039","0.0018","12.927","0.003","24.736","0.006","90","","90","","90","","2367.5","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C88 H88 Br8 O16 S8 -","8","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0969","0.0733","","","0.2317","0.2426","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516866","9.4814","0.0019","11.835","0.002","17.835","0.004","90","","90","","90","","2001.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 I2 N2 O2 Pb2 -","- C18 H12 I2 N2 O2 Pb2 -","- C72 H48 I8 N8 O8 Pb8 -","4","0.5","","Ezzatollah Najafi; Mostafa M. Amini; Ezeddin Mohajerani; Mohammad Janghouri; Hossein Razavi; Hamidreza Khavasi","Fabrication of an organic light-emitting diode (OLED) from a two-dimensional lead(II) coordination polymer","Inorganica Chimica Acta","2013","399","","119","125","","","","0.71073","MoKα","","0.0613","0.0475","","","0.1096","0.1144","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516867","11.6732","0.0007","15.9989","0.0008","25.6674","0.0012","90","","90","","90","","4793.6","0.4","191","2","191","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Co K N4 O5 -","- C23 H32 Co K N4 O5 -","- C184 H256 Co8 K8 N32 O40 -","8","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0324","0.0285","","","0.0731","0.0752","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516882","7.8201","0.0006","15.7081","0.0011","21.1791","0.0015","90","","90","","90","","2601.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 I O2 -","- C14 H13 I O2 -","- C112 H104 I8 O16 -","8","1","","Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli","Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains.","Journal of medicinal chemistry","2014","57","14","6030","6042","10.1021/jm5004396","","","0.71073","MoKα","","0.02","0.0171","","","0.0396","0.0408","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516889","10.48","0.002","21.616","0.004","23.669","0.005","90","","90","","90","","5361.9","1.8","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","7","7","","- C50 H78 O4 Si4 U2 -","- C50 H78 O4 Si4 U2 -","- C200 H312 O16 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.176","0.0787","","","0.1014","0.1221","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516905","8.884","0.003","12.611","0.004","15.885","0.006","90","","90","","90","","1779.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N4 Ni O8 -","- C16 H26 N4 Ni O8 -","- C64 H104 N16 Ni4 O32 -","4","0.5","","Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu","Synthesis, structure and surface photo-electric property of Ni(II) complexes","Inorganica Chimica Acta","2013","399","","227","235","","","","0.71073","MoKα","","0.1043","0.0577","","","0.1247","0.1473","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516966","9.3932","0.0006","18.3398","0.0015","23.3368","0.0018","90","","90","","90","","4020.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C184 H176 N16 O8 -","8","1","","Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J","Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.","Organic letters","2014","16","14","3808","3811","10.1021/ol501699x","","","0.71073","MoKα","","0.1933","0.0969","","","0.1636","0.2021","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517007","10.2526","0.0002","22.0749","0.0004","38.2732","0.0007","90","","90","","90","","8662.2","0.3","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H44 Cl2 N4 Zn -","- C51 H44 Cl2 N4 Zn -","- C408 H352 Cl16 N32 Zn8 -","8","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.053","0.0386","","","0.0877","0.0935","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517016","19.1258","0.0009","23.0759","0.0012","23.544","0.0012","90","","90","","90","","10391","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H36 Mn3 N4 O13 S6 -","- C47 H36 Mn3 N4 O13 S6 -","- C376 H288 Mn24 N32 O104 S48 -","8","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1662","0.065","","","0.1385","0.1809","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517017","18.974","0.004","22.931","0.005","23.64","0.005","90","","90","","90","","10286","4","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H33 Mn3 N3 O14 S6 -","- C45 H33 Mn3 N3 O14 S6 -","- C360 H264 Mn24 N24 O112 S48 -","8","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1718","0.1016","","","0.2695","0.3233","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517020","11.5485","0.0003","16.5802","0.0004","20.5991","0.0004","90","","90","","90","","3944.24","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C176 H208 N16 O32 -","8","1","","Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido","Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan.","Organic letters","2014","16","14","3712","3715","10.1021/ol501529z","","","1.54178","CuKα","","0.0417","0.0391","","","0.1019","0.1041","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517097","10.3022","0.0008","11.1065","0.0009","23.6758","0.0019","90","","90","","90","","2709","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Mo O5 -","- C13 H14 Mo O5 -","- C104 H112 Mo8 O40 -","8","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.032","0.0231","","","0.0474","0.0524","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517175","17.8212","0.0017","16.529","0.0017","26.155","0.003","90","","90","","90","","7704.4","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Br3 Fe Ga O3 P2 -","- C9 H18 Br3 Fe Ga O3 P2 -","- C144 H288 Br48 Fe16 Ga16 O48 P32 -","16","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0675","0.0385","","","0.085","0.0993","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517236","6.9386","0.0001","15.1121","0.0002","23.6998","0.0003","90","","90","","90","","2485.09","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.71073","MoKα","","0.0482","0.0358","","0.0788","0.0663","0.0788","","","","","","0.9815","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517254","11.1623","0.0003","13.076","0.0004","27.158","0.001","90","","90","","90","","3963.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C176 H200 N24 O16 -","8","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1473","0.0635","","","0.1609","0.2214","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517421","6.387","0.0002","16.5721","0.0008","37.2128","0.0014","90","","90","","90","","3938.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","1","","Ma, Xueji; Pan, Shanfei; Wang, Hangxiang; Chen, Wanzhi","Rhodium-Catalyzed Transannulation of N-Sulfonyl-1,2,3-triazoles and Epoxides: Regioselective Synthesis of Substituted 3,4-Dihydro-2H-1,4-oxazines.","Organic letters","2014","16","17","4554","","10.1021/ol5021042","","","0.71073","MoKα","","0.0558","0.0404","","","0.0987","0.1097","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517491","12.6187","0.0002","15.3717","0.0003","15.8322","0.0003","90","","90","","90","","3070.99","0.1","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H27 N5 O2 -","- C13 H27 N5 O2 -","- C104 H216 N40 O16 -","8","1","","Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.","Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization","Polym. Chem.","2014","5","23","6678","","10.1039/C4PY01002G","","","0.71073","MoKα","","0.0545","0.043","","","0.1341","0.1382","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517559","10.498","0.003","7.559","0.004","23.466","0.01","90","","90","","90","","1862.1","1.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H16 F2 -","- C28 H16 F2 -","- C112 H64 F8 -","4","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.0867","0.0821","","","0.1397","0.1414","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517649","16.739","0.002","9.557","0.004","20.295","0.004","90","","90","","90","","3246.7","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O4 S Zn -","- C16 H18 N2 O4 S Zn -","- C128 H144 N16 O32 S8 Zn8 -","8","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71073","MoKα","","0.0692","0.0423","","","0.089","0.0976","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517668","9.00239","0.00019","14.4646","0.0003","27.9468","0.0006","90","","90","","90","","3639.12","0.13","110.05","0.1","110.05","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.0547","0.0519","","","0.137","0.1392","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517738","15.291","0.0014","15.0222","0.0014","32.525","0.003","90","","90","","90","","7471.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Z3","","","- C44 H50 N4 Zn -","- C44 H50 N4 Zn -","- C352 H400 N32 Zn8 -","8","1","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0546","0.0368","","","0.0851","0.095","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517778","21.122","0.002","18.0874","0.0017","21.51","0.002","90","","90","","90","","8217.7","1.3","296","2","296","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C38 H33 Cl3 F3 Fe N4 O3 P Pd S -","- C38 H33 Cl3 F3 Fe N4 O3 P Pd S -","- C304 H264 Cl24 F24 Fe8 N32 O24 P8 Pd8 S8 -","8","1","","Hong-Mei Li; Chen Xu; Xin-Qi Hao; Zhen Li; Zhi-Qiang Wang; Wei-Jun Fu; Mao-Ping Song","Cationic cyclopalladated ferrocenylpyrimidine complex as an efficient catalyst for the synthesis of substituted biarylmethanol by the Suzuki reaction in water","Inorganica Chimica Acta","2013","404","","236","240","","","","0.71073","MoKα","","0.1475","0.0533","","","0.1163","0.1417","","","","","","0.834","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517806","10.5253","0.0005","17.2681","0.0008","20.8581","0.001","90","","90","","90","","3791","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cl2 N10 O2 Pt -","- C34 H46 Cl2 N10 O2 Pt -","- C136 H184 Cl8 N40 O8 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0758","0.0334","","","0.057","0.0668","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517807","10.4214","0.0002","17.7041","0.0003","21.4018","0.0005","90","","90","","90","","3948.66","0.14","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H50 Cl2 N10 O2 Pt -","- C36 H50 Cl2 N10 O2 Pt -","- C144 H200 Cl8 N40 O8 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0539","0.031","","","0.0554","0.0652","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517810","10.7643","0.0002","17.784","0.0002","22.2899","0.0004","90","","90","","90","","4267.01","0.12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Cl2 N10 O4 Pt -","- C40 H54 Cl2 N10 O4 Pt -","- C160 H216 Cl8 N40 O16 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.065","0.0301","","","0.0388","0.0449","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517851","21.073","0.006","7.448","0.002","23.393","0.006","90","","90","","90","","3671.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.0782","0.0454","","","0.1009","0.1156","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517885","15.56","0.0011","8.7136","0.0006","35.624","0.003","90","","90","","90","","4830","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C192 H72 B8 F144 -","8","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","","0.71073","MoKα","","0.072","0.0479","","","0.1162","0.1297","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517920","7.3708","0.0008","28.754","0.003","12.9255","0.0012","90","","90","","90","","2739.4","0.5","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(1-naphthyl)-4a,8a-azaboranaphthalene","","","- C18 H14 B N -","- C18 H14 B N -","- C144 H112 B8 N8 -","8","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.2202","0.1417","","","0.3326","0.3889","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517923","18.6948","0.0004","7.70147","0.00015","26.3894","0.0006","90","","90","","90","","3799.48","0.14","180.1","0.6","180.1","0.6","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Br F N O2 S -","- C20 H21 Br F N O2 S -","- C160 H168 Br8 F8 N8 O16 S8 -","8","1","","Romanov-Michailidis, Fedor; Pupier, Marion; Besnard, Céline; Bürgi, Thomas; Alexakis, Alexandre","Enantioselective Catalytic Fluorinative Aza-semipinacol Rearrangement.","Organic letters","2014","16","19","4988","4991","10.1021/ol5022355","","","1.54184","CuKα","","0.0387","0.0329","","","0.0858","0.0908","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517949","8.0593","0.0014","22.292","0.004","25.202","0.006","90","","90","","90","","4527.7","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F N2 O -","- C30 H23 F N2 O -","- C240 H184 F8 N16 O8 -","8","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.1532","0.056","","","0.1031","0.1359","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517964","17.435","0.004","15.662","0.003","24.139","0.005","90","","90","","90","","6592","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl3(PPh3)ClPPh3","","","- C36 H30 Cl4 Ni P2 -","- C36 H30 Cl4 Ni P2 -","- C288 H240 Cl32 Ni8 P16 -","8","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0527","0.0327","","","0.0649","0.072","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517971","15.9554","0.0003","11.7205","0.0002","16.839","0.0004","90","","90","","90","","3148.98","0.11","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Au Br N -","- C18 H15 Au Br N -","- C144 H120 Au8 Br8 N8 -","8","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.0704","0.0677","","","0.167","0.1723","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518189","10.7295","0.0006","25.4389","0.0015","32.8409","0.0018","90","","90","","90","","8963.8","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C49 H66 O2 -","- C49 H66 O2 -","- C392 H528 O16 -","8","1","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","0.71073","MoKα","","0.1178","0.0621","","","0.1561","0.177","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518195","37.202","0.003","8.9299","0.001","9.4735","0.0007","90","","90","","90","","3147.2","0.5","294.39","0.1","294.39","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","Direct oxidative coupling of enamides and 1,3-dicarbonyl compounds: a facile and versatile approach to dihydrofurans, furans, pyrroles, and dicarbonyl enamides.","Organic letters","2014","16","22","5992","5995","10.1021/ol503009f","","","0.71073","MoKα","","0.1662","0.0821","","","0.1846","0.2311","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518289","14.348","0.0014","16.969","0.002","19.737","0.002","90","","90","","90","","4805.4","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N -","- C32 H27 N -","- C256 H216 N8 -","8","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.1746","0.0619","","","0.0854","0.1162","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518315","17.061","0.0004","14.6879","0.0003","22.0163","0.0005","90","","90","","90","","5517.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cd N4 O5 -","- C29 H34 Cd N4 O5 -","- C232 H272 Cd8 N32 O40 -","8","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0661","0.033","","","0.0696","0.0825","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518322","11.4611","0.0008","8.8278","0.0006","28.757","0.002","90","","90","","90","","2909.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C128 H136 N24 O16 -","8","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.1201","0.0569","","","0.114","0.1427","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518430","16.33","0.013","15.14","0.013","17.416","0.015","90","","90","","90","","4306","6","300","2","300","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C216 H192 O24 -","8","1","","Seetha Lakshmi, K. C.; Krishnan, Jagadeesh; Sinu, C. R.; Varughese, Sunil; Nair, Vijay","N-heterocyclic carbene catalyzed annulation of enals to aurone analogs: synthesis of cyclopentene-fused spirobenzofuran-3-ones.","Organic letters","2014","16","24","6374","6377","10.1021/ol5031684","","","0.71073","MoKα","","0.1136","0.0666","","","0.1669","0.1994","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518447","9.9998","0.0006","20.6538","0.0012","31.3512","0.0018","90","","90","","90","","6475.1","0.7","15","2","15","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C67 F6 -","- C67 F6 -","- C536 F48 -","8","1","","San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.","A faux hawk fullerene with PCBM-like properties","Chem. Sci.","2015","6","3","1801","","10.1039/C4SC02970D","","","0.41328","synchrotron","","0.0865","0.0732","","","0.1576","0.1633","","","","","","1.215","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518482","8.8127","0.001","13.2298","0.0012","32.5","0.003","90","","90","","90","","3789.2","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","20120034","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C192 H160 N16 O8 -","8","1","","Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao","Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles.","Organic letters","2015","17","2","310","313","10.1021/ol503404p","","","0.71073","MoKα","","0.0945","0.058","","","0.1122","0.1267","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518512","13.2692","0.0012","19.8926","0.0016","20.979","0.0019","90","","90","","90","","5537.6","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Se(Tr5)]","","- C30 H35 N3 O Se Si -","- C30 H35 N3 O Se Si -","- C240 H280 N24 O8 Se8 Si8 -","8","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0325","0.0248","","","0.0584","0.0616","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518555","15.404","0.003","15.758","0.003","16.51","0.003","90","","90","","90","","4007.6","1.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H26 F6 K O6 P -","- C12 H26 F6 K O6 P -","- C96 H208 F48 K8 O48 P8 -","8","1","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.71075","MoKα","","","0.0656","","","","0.1761","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518587","18.6991","0.0013","16.4217","0.001","21.8753","0.0015","90","","90","","90","","6717.3","0.8","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C224 H368 Cl8 Co8 I8 N16 P16 Ti8 -","4","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0369","0.0246","","0.0573","0.0524","0.0573","","","","","","0.9674","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518718","16.759","0.004","7.4334","0.0018","30.141","0.007","90","","90","","90","","3754.9","1.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Organics","Organics","","- C18 H26 O4 Si -","- C18 H26 O4 Si -","- C144 H208 O32 Si8 -","8","1","","Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.","Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.","Organic letters","2015","17","4","790","793","10.1021/ol503498n","","","0.71073","MoKα","","0.0479","0.0388","","","0.0719","0.0773","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518735","10.981","0.002","16.009","0.0019","19.987","0.0018","90","","90","","90","","3513.6","0.8","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","0.5","","Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob","Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers.","The journal of physical chemistry. A","2015","119","10","1906","1916","10.1021/jp5122849","","","0.71073","MoKα","","0.0908","0.062","","","0.1469","0.1686","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518748","10.784","0.0017","9.6655","0.0016","28.858","0.005","90","","90","","90","","3007.9","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br N4 O2 -","- C15 H11 Br N4 O2 -","- C120 H88 Br8 N32 O16 -","8","1","","Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan","Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.","Organic letters","2015","17","5","1118","1121","10.1021/ol503687w","","","0.71073","MoKα","","0.0987","0.0498","","","0.1184","0.1363","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518770","11.2813","0.0006","14.1148","0.0007","24.5832","0.0014","90","","90","","90","","3914.5","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl4 N2 -","- C20 H16 Cl4 N2 -","- C160 H128 Cl32 N16 -","8","1","","Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng","Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.","Organic letters","2015","17","4","1026","1029","10.1021/acs.orglett.5b00136","","","0.7107","MoKα","","0.0582","0.0361","","","0.0726","0.0821","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518908","34.006","0.002","7.6167","0.0005","36.832","0.002","90","","90","","90","","9540","1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C59 H61 Si2 -","- C59 H61 Si2 -","- C472 H488 Si16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.175","0.0778","","","0.1623","0.2072","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518941","8.4818","0.0005","10.9461","0.0008","30.035","0.002","90","","90","","90","","2788.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C112 H152 N8 O24 S8 -","8","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1063","0.0524","","","0.1226","0.1421","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519006","13.678","0.002","10.318","0.003","17.357","0.003","90","","90","","90","","2449.6","0.9","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H9 Al3 N O13 P3 -","- C2 H8 Al3 N O13 P3 -","- C16 H64 Al24 N8 O104 P24 -","8","1","","Soulard, M.; Patarin, J.; Marler, B.","Synthesis and structure of Mu-10 : a novel microporous hydroxyaluminophosphate (CH3)2NH2.Al3P3O12OH closely related to AlPO4-EN3","Solid State Sciences","1999","1","","37","53","","","x-ray","0.71073","MoKα","","","0.0422","","","0.1241","","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519082","14.586","0.003","14.973","0.003","15.218","0.003","90","","90","","90","","3323.6","1.2","","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Cl N5 Ni O7 -","","","8","1","","Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan","Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane","Acta Chemica Scandinavica","1999","53","","457","464","","","x-ray","0.71069","MoKα","","","0.0409","","","0.0916","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1519098","5.6109","0.0007","8.1277","0.0008","31.205","0.003","90","","90","","90","","1423.1","0.3","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi Nb O8 Te2 -","- Bi Nb O8 Te2 -","- Bi8 Nb8 O64 Te16 -","8","1","","S. Blanchandin; J.C. Champarnaud-Mesjard; P. Thomas; B. Frit","Crystal structure of BiNbTe2O8","Solid State Sciences","2000","2","","223","228","","","x-ray","0.71073","MoKα","","","0.0512","","","0.0948","","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519147","8.813","0.007","15.0422","0.0005","31.232","0.01","90","","90","","90","","4140","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl2 N P Se Ti -","- C16 H30 Cl2 N P Se Ti -","- C128 H240 Cl16 N8 P8 Se8 Ti8 -","8","1","","Bochmann, Manfred; Hursthouse, Michael B.; Coles, Simon J.","C16H30Cl2NPSeTi","Crystal Structure Report Archive","1994","","","1191","","","","","0.71069","MoKα","","0.1173","0.0495","","","0.1003","0.1094","","","","","","0.813","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519150","13.233","0.007","17.2161","0.001","35.163","0.011","90","","90","","90","","8011","5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H66 Cl2 N2 P2 Se2 Ti -","- C35 H66 Cl2 N2 P2 Se2 Ti -","- C280 H528 Cl16 N16 P16 Se16 Ti8 -","8","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C28H58Cl2N2P2Se2Ti, C7H8","Crystal Structure Report Archive","1994","","","1196","","","","","0.71069","MoKα","","0.0763","0.0433","","","0.088","0.0959","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519177","7.594","0.003","15.177","0.0012","31.13","0.02","90","","90","","90","","3588","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H1.61 Cl Fe O2 -","- C192 H12.88 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C25H15ClFeO2","Crystal Structure Report Archive","1997","","","1039","","","","","0.71069","MoKα","","0.3225","0.0375","","","0.0572","0.106","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519180","7.23","0.001","15.594","0.003","19.618","0.004","90","","90","","90","","2211.8","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C80 H64 Cl16 N32 -","8","1","","Blake, Alexander J.; Light, Mark E.; Hursthouse, Michael B.","C10H8Cl2N4","Crystal Structure Report Archive","1997","","","1206","","","","","0.71073","MoKα","","0.0815","0.0443","","","0.1025","0.1083","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519181","7.594","0.003","15.177","0.0012","31.134","0.016","90","","90","","90","","3588","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H15 Cl Fe O2 -","- C192 H120 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C24H15ClFeO2","Crystal Structure Report Archive","1997","","","1016","","","","","0.71069","MoKα","","0.3233","0.0375","","","0.0572","0.103","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519183","10.7966","0.0008","17.6155","0.0006","17.888","0.005","90","","90","","90","","3402.1","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C192 H144 Fe8 -","8","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H18Fe","Crystal Structure Report Archive","1997","","","765","","","","","0.71069","MoKα","","0.121","0.033","","0.0662","0.0501","","","","0.562","0.781","0.781","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519208","14.6","0.003","5.572","0.001","18.483","0.004","90","","90","","90","","1503.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","170","","","","","0.71073","MoKα","","0.0426","0.0339","","","0.0892","0.0949","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519216","14.784","0.001","5.67","0.003","18.492","0.004","90","","90","","90","","1550.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","166","","","","","0.71073","MoKα","","0.0594","0.0402","","0.118","0.1075","","","","1.064","1.147","1.147","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519228","14.784","0.001","5.67","0.003","18.492","0.004","90","","90","","90","","1550.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","173","","","","","0.71073","MoKα","","0.0594","0.0402","","0.118","0.1075","","","","1.064","1.147","1.147","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519237","8.8098","0.0018","10.574","0.002","24.736","0.005","90","","90","","90","","2304.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(4-Methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","177","","","","","0.71073","MoKα","","0.0666","0.0441","","","0.1096","0.1208","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519268","7.515","0.0002","9.3921","0.0002","30.7365","0.0002","90","","90","","90","","2169.43","0.08","150","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C88 H120 B8 O16 -","8","1","","Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B.","(E)-5-Phenyl-pent-1-enyl-boronic acid","Crystal Structure Report Archive","2000","","","528","","","","","","","","0.1058","0.0547","","","0.1241","0.1393","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519319","19.1002","0.0002","21.7245","0.0003","29.1929","0.0004","90","","90","","90","","12113.4","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H60 Cl13 N O P2 Ru2 -","- C55 H60 Cl13 N O P2 Ru2 -","- C440 H480 Cl104 N8 O8 P16 Ru16 -","8","1","","Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B.","C52H57NOP2Cl4Ru2 . 3CDCl3","Crystal Structure Report Archive","2001","","","835","","","","","0.71073","MoKα","","0.0838","0.049","","","0.0932","0.0995","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519327","7.4181","0.0001","16.6837","0.0003","27.9934","0.0005","90","","90","","90","","3464.5","0.1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O9 -","- C21 H16 O9 -","- C168 H128 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3- (3,4-methylenedioxyphenyl)indan-2-carboxylate","Crystal Structure Report Archive","2001","","","69","","","","","0.71073","MoKα","","0.1285","0.0501","","","0.0858","0.1049","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519328","14.1493","0.0004","17.3003","0.0006","17.434","0.0007","90","","90","","90","","4267.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O9 -","- C23 H24 O9 -","- C184 H192 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-dimethoxy-3-(3,4-dimethyloxyphenyl) indan-2-carboxylate","Crystal Structure Report Archive","2001","","","70","","","","","0.71073","MoKα","","0.0881","0.0468","","","0.1039","0.1213","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519396","20.457","0.003","20.307","0.003","25.358","0.003","90","","90","","90","","10534","3","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H83 K N3 O7.5 Si6 Th -","- C32 H78 K N3 O7.5 Si6 Th -","- C256 H624 K8 N24 O60 Si48 Th8 -","8","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.1507","0.1001","","","0.1885","0.2046","","","","","","1.207","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519483","12.1886","0.0002","9.5923","0.0001","31.3227","0.0005","90","","90","","90","","3662.15","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H27 Fe I N2 -","- C17 H27 Fe I N2 -","- C136 H216 Fe8 I8 N16 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C17H27FeIN2","Crystal Structure Report Archive","2002","","","909","","","","","0.71073","MoKα","","0.0363","0.0291","","","0.0588","0.0607","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519488","6.0816","0.0004","24.8503","0.0016","31.12","0.003","90","","90","","90","","4703.2","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 Fe N2 O3 -","- C30 H26 Fe N2 O3 -","- C240 H208 Fe8 N16 O24 -","8","1","","Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","2-(N-Ferrocenylmethylcarbamoyl)-5-(methoxycarbonyl)-3,4-diphenylpyrrole","Crystal Structure Report Archive","2002","","","25","","","","","0.71073","MoKα","","0.1185","0.0573","","","0.1046","0.1243","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519508","10.6683","0.0003","10.8869","0.0003","29.919","0.0008","90","","90","","90","","3474.93","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C144 H160 N32 O16 -","8","1","","Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.","C18H20N4O2","Crystal Structure Report Archive","2002","","","940","","","","","0.71073","MoKα","","0.0844","0.0452","","","0.0947","0.1103","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519509","16.1973","0.0005","9.3378","0.0002","34.0104","0.0012","90","","90","","90","","5144","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 F6 N5 O4 P -","- C22 H31 F6 N5 O4 P -","- C176 H248 F48 N40 O32 P8 -","8","1","","Light, Mark E.; Camiolo, S.; Navakhun, K.; Gale, Phil A.; Hursthouse, Michael B.","3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(2-amino-ethyl)-amide] hexafluorophosphate dihydrate","Crystal Structure Report Archive","2002","","","19","","","","","0.71073","MoKα","","0.1733","0.0651","","","0.1374","0.176","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519518","17.4597","0.0007","17.3538","0.0007","28.3363","0.0014","90","","90","","90","","8585.7","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 O18 Si12 -","- C24 H36 O18 Si12 -","- C192 H288 O144 Si96 -","8","1","","Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.","C24H36O18Si12","Crystal Structure Report Archive","2002","","","934","","","","","0.71073","MoKα","","0.3015","0.1434","","","0.3186","0.3783","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519528","16.6539","0.0004","8.8554","0.0002","56.7289","0.0017","90","","90","","90","","8366.2","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H33 Br N2 O -","- C20 H33 Br N2 O -","- C160 H264 Br8 N16 O8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C20H33BrN2O","Crystal Structure Report Archive","2002","","","998","","","","","0.71073","MoKα","","0.1076","0.056","","","0.1272","0.1488","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519539","14.0392","0.0003","13.8109","0.0003","16.9908","0.0004","90","","90","","90","","3294.41","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","1","","Cunnigham, Ian; Horton, Peter N.; Hursthouse, Michael B.","N-methacryloyl-N-5,6,7,8-tetrahydronaphthalen-1-ylbenzamide","Crystal Structure Report Archive","2003","","","886","","","","","0.71073","MoKα","","0.07","0.0471","","","0.1025","0.1136","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519572","21.0514","0.0003","7.0276","0.0001","24.2942","0.0003","90","","90","","90","","3594.1","0.08","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F4 I2 N2 O2 S -","- C13 H10 F4 I2 N2 O2 S -","- C104 H80 F32 I16 N16 O16 S8 -","8","1","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C13H10F4I2N2O2S","Crystal Structure Report Archive","2003","","","900","","","","","0.71073","MoKα","","0.0369","0.0322","","","0.0761","0.0785","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519594","16.4963","0.0018","8.325","0.003","20.061","0.006","90","","90","","90","","2755","1.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","1","","Rousay, Esther; Frey, Jeremy G.; Coles, Simon J.; Hursthouse, Michael B.","6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin","Crystal Structure Report Archive","2004","","","145","","","","","0.71073","MoKα","","0.0977","0.0487","","","0.1008","0.1192","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519632","16.6109","0.0004","8.7885","0.0002","17.8015","0.0005","90","","90","","90","","2598.75","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo O3 -","- C15 H12 Mo O3 -","- C120 H96 Mo8 O24 -","8","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0237","0.0213","","","0.0559","0.0581","","","","","","1.051","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1519733","9.2017","0.0001","16.0731","0.0003","18.2782","0.0004","90","","90","","90","","2703.34","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 F6 N2 P -","- C11 H15 F6 N2 P -","- C88 H120 F48 N16 P8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C11H15F6N2P","Crystal Structure Report Archive","2004","","","967","","","","","0.71073","MoKα","","0.0505","0.0431","","","0.1204","0.1265","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519750","7.747","0.009","15.519","0.018","25.745","0.008","90","","90","","90","","3095","5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N2 Ru -","- C16 H24 N2 Ru -","- C128 H192 N16 Ru8 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C16H24N2Ru","Crystal Structure Report Archive","2005","","","1103","","","","","0.71073","MoKα","","0.2192","0.1089","","","0.1905","0.2333","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519757","12.6226","0.0008","12.3709","0.0009","14.1124","0.001","90","","90","","90","","2203.7","0.3","298.2","0.1","298.2","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br Cl2 N2 O -","- C10 H7 Br Cl2 N2 O -","- C80 H56 Br8 Cl16 N16 O8 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.07","0.0412","","","0.1007","0.1141","","","","","","1.03","","","","has coordinates","154781","2020-10-21","18:00:00",""
"1519761","14.443","0.002","7.5861","0.0012","21.306","0.003","90","","90","","90","","2334.4","0.6","293","0.2","293","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br2 F N2 -","- C11 H9 Br2 F N2 -","- C88 H72 Br16 F8 N16 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.2105","0.0649","","","0.1359","0.1945","","","","","","0.993","","","","has coordinates,has disorder","154781","2020-10-21","18:00:00",""
"1519805","14.2845","0.0008","5.4226","0.0002","22.7593","0.0014","90","","90","","90","","1762.92","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O S -","- C10 H9 N O S -","- C80 H72 N8 O8 S8 -","8","1","","Huth, Susanne L.; Hursthouse, Michael B.","(6-Thien-2-ylpyrid-3-yl)methanol","Crystal Structure Report Archive","2007","","","373","","","","","0.71073","MoKα","","0.2077","0.1062","","","0.1572","0.1995","","","","","","1.179","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519806","13.0538","0.0003","15.5288","0.0003","19.1088","0.0004","90","","90","","90","","3873.54","0.14","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N O2 S -","- C20 H30 Cl N O2 S -","- C160 H240 Cl8 N8 O16 S8 -","8","1","","Stephenson, Richard A; Dobbs, Adrian; Hursthouse, Michael B.","C20H30Cl1N1O2S1","Crystal Structure Report Archive","2007","","","388","","","","","0.71073","MoKα","","0.055","0.0406","","","0.1017","0.1096","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519818","11.4593","0.0002","16.8538","0.0002","19.0612","0.0002","90","","90","","90","","3681.34","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Cl4 N3 O2 P3 -","- C9 H18 Cl4 N3 O2 P3 -","- C72 H144 Cl32 N24 O16 P24 -","8","1","","Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.","C9H18Cl4N3O2P3","Crystal Structure Report Archive","2007","","","317","","","","","0.71073","MoKα","","0.0383","0.031","","","0.0779","0.0821","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519965","13.3732","0.0016","8.5025","0.0009","27.693","0.003","90","","90","","90","","3148.9","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Di(1-butylammonium) DL-tartrate","","- C12 H28 N2 O6 -","- C12 H28 N2 O6 -","- C96 H224 N16 O48 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Di(1-butylammonium) DL-tartrate","Crystal Structure Report Archive","2008","","","580","","","","","0.71073","MoKα","","0.2187","0.1244","","","0.1932","0.2353","","","","","","1.145","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519990","12.3344","0.0004","13.3334","0.0002","15.9953","0.0004","90","","90","","90","","2630.58","0.11","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H8 Cl4 N3 O2 P3 -","- C4 H8 Cl4 N3 O2 P3 -","- C32 H64 Cl32 N24 O16 P24 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C4H8Cl4N3O2P3","Crystal Structure Report Archive","2008","","","485","","","","","0.71073","MoKα","","0.0489","0.0318","","","0.0726","0.0804","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520042","11.755","0.003","20.78","0.005","21.031","0.005","90","","90","","90","","5137","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C208 H176 Br16 N16 O32 -","8","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1609","0.0552","","","0.1063","0.1446","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520065","20.8528","0.0008","11.8997","0.0005","22.661","0.0009","90","","90","","90","","5623.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F3 Ir N2 O4 -","- C29 H34 F3 Ir N2 O4 -","- C232 H272 F24 Ir8 N16 O32 -","8","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0879","0.0603","","","0.1303","0.1436","","","","","","1.034","","","","has coordinates","140194","2020-10-21","18:00:00",""
"1520066","20.532","0.003","11.9277","0.0018","22.489","0.003","90","","90","","90","","5507.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Ir N2 O4 -","- C29 H37 Ir N2 O4 -","- C232 H296 Ir8 N16 O32 -","8","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0617","0.0437","","","0.1039","0.1153","","","","","","1.011","","","","has coordinates","140194","2020-10-21","18:00:00",""
"1520086","28.3983","0.0004","17.1091","0.0003","23.8614","0.0006","90","","90","","90","","11593.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H129 Co2 Dy5 N10 O37 -","- C92 H129 Co2 Dy5 N10 O37 -","- C368 H516 Co8 Dy20 N40 O148 -","4","0.5","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","x-ray","0.71073","MoKα","","0.1005","0.0911","","","0.2129","0.2165","","","","","","1.162","","","","has coordinates,has disorder","143681","2020-10-21","18:00:00",""
"1520144","13.0288","0.0004","12.2797","0.0004","18.0331","0.0005","90","","90","","90","","2885.11","0.15","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Br Cl4 N4 O4 P3 -","- C3 H4 Br Cl4 N4 O4 P3 -","- C24 H32 Br8 Cl32 N32 O32 P24 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C3H4BrCl4N4O4P3","Crystal Structure Report Archive","2008","","","487","","","","","0.71073","MoKα","","0.0559","0.0384","","","0.0902","0.0981","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520181","10.5132","0.0004","9.4393","0.0003","15.1635","0.0005","90","","90","","90","","1504.78","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1362","","","","","0.71073","MoKα","","0.0474","0.0394","","","0.1005","0.1056","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520182","12.1766","0.0004","9.5024","0.0003","12.9638","0.0003","90","","90","","90","","1500","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1373","","","","","0.71073","MoKα","","0.0555","0.0437","","","0.0985","0.1068","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520186","9.3819","0.0002","9.2804","0.0002","20.7436","0.0005","90","","90","","90","","1806.1","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-bromophenyl)propanamide","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C72 H80 Br8 N8 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-bromophenyl)propanamide","Crystal Structure Report Archive","2008","","","537","","","","","0.71073","MoKα","","0.0419","0.0294","","","0.0579","0.0644","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520204","14.7295","0.0004","14.7023","0.0004","26.7711","0.0008","90","","90","","90","","5797.5","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C288 H224 N64 O16 -","16","2","","Collins, Ian; Smyth, Lynette A.; Horton, Peter N.; Hursthouse, Michael B.","3-Amino-2,6-diphenyl-2,5-dihydro-pyrazolo[4,3-c]pyridin-4-one","Crystal Structure Report Archive","2008","","","444","","","","","0.71073","MoKα","","0.0912","0.0654","","","0.1202","0.1346","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520243","11.9225","0.0007","7.2026","0.0002","17.4291","0.001","90","","90","","90","","1496.69","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-aminophenyl)acetamide","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-aminophenyl)acetamide","Crystal Structure Report Archive","2008","","","1391","","","","","0.71073","MoKα","","0.0888","0.0526","","","0.1077","0.1238","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520249","11.9225","0.0007","7.2026","0.0002","17.4291","0.001","90","","90","","90","","1496.69","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-aminophenyl)acetamide","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-aminophenyl)acetamide","Crystal Structure Report Archive","2008","","","546","","","","","0.71073","MoKα","","0.0871","0.0512","","","0.1061","0.1223","","","","","","1.035","","","","has coordinates","137868","2020-10-21","18:00:00",""
"1520251","9.663","0.0003","9.2888","0.0002","19.8221","0.0005","90","","90","","90","","1779.19","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[4-(trifluoromethyl)phenyl]acetamide","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[4-(trifluoromethyl)phenyl]acetamide","Crystal Structure Report Archive","2008","","","1384","","","","","0.71073","MoKα","","0.0728","0.0551","","","0.1389","0.1479","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520256","9.1172","0.0002","7.495","0.0002","24.6628","0.0005","90","","90","","90","","1685.29","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","1392","","","","","0.71073","MoKα","","0.0459","0.0384","","","0.099","0.1044","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520259","9.1172","0.0002","7.495","0.0002","24.6628","0.0005","90","","90","","90","","1685.29","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.","N-(4-methoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","543","","","","","0.71073","MoKα","","0.0459","0.0383","","","0.0994","0.1049","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520294","7.3965","0.0003","14.3362","0.0004","14.5021","0.0004","90","","90","","90","","1537.77","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C56 H80 Cl8 N8 -","8","1","","Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V.","Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies.","The journal of physical chemistry. A","2015","119","18","4108","4117","10.1021/acs.jpca.5b02102","","","0.71073","MoKα","","0.0444","0.0401","","","0.1077","0.1117","","","","","","1.034","","","","has coordinates","138012","2020-10-21","18:00:00",""
"1520315","16.8311","0.0007","9.1985","0.0003","18.0999","0.0008","90","","90","","90","","2802.24","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 B F2 N O4 -","- C12 H20 B F2 N O4 -","- C96 H160 B8 F16 N8 O32 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.049","0.0374","","","0.0829","0.0885","","","","","","1.026","","","","has coordinates,has disorder","141402","2020-10-21","18:00:00",""
"1520363","6.87","0.0003","23.3867","0.0014","24.351","0.0015","90","","90","","90","","3912.4","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N4 O7 Si -","- C15 H19 Cl N4 O7 Si -","- C120 H152 Cl8 N32 O56 Si8 -","8","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C15H19ClN4O7Si","Crystal Structure Report Archive","2009","","","711","","","","","0.71073","MoKα","","0.194","0.1744","","","0.3437","0.3534","","","","","","1.271","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1520391","16.8121","0.0012","19.229","0.002","22.968","0.003","90","","90","","90","","7425.1","1.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H60 Cl Fe O4 P2 Rh -","- C37 H60 Cl Fe O4 P2 Rh -","- C296 H480 Cl8 Fe8 O32 P16 Rh8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Butler, I. R.","C37H60ClFeO4P2Rh","Crystal Structure Report Archive","2009","","","654","","","","","0.71073","MoKα","","0.0491","0.034","","","0.0902","0.1007","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520400","10.5174","0.0002","9.4252","0.0004","16.2656","0.0006","90","","90","","90","","1612.39","0.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-chlorophenyl)acetamide","Crystal Structure Report Archive","2009","","","1368","","","","","0.71073","MoKα","","0.049","0.0389","","","0.092","0.0966","","","","","","1.106","","","","has coordinates","138894","2020-10-21","18:00:00",""
"1520419","11.8719","0.0003","15.0801","0.0003","15.5429","0.0003","90","","90","","90","","2782.64","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 O2 Si -","- C13 H15 Cl N2 O2 Si -","- C104 H120 Cl8 N16 O16 Si8 -","8","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C13H15ClN2O2Si","Crystal Structure Report Archive","2009","","","651","","","","","0.71073","MoKα","","0.0598","0.0414","","","0.1006","0.1105","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520426","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C20H17FeNO","Crystal Structure Report Archive","2009","","","648","","","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.1661","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520435","15.5741","0.0006","14.8047","0.0004","18.4602","0.0008","90","","90","","90","","4256.4","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.5 H9.5 N4.5 O0.5 Zn -","- C7.5 H9.5 N4.5 O0.5 Zn -","- C120 H152 N72 O8 Zn16 -","16","2","","Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B.","C7.5H9.5N4.5O0.5Zn","Crystal Structure Report Archive","2009","","","625","","","","","0.71073","MoKα","","0.0889","0.0473","","","0.0994","0.1143","","","","","","1.014","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520449","7.38023","0.00019","12.875","0.0003","31.8273","0.0008","90","","90","","90","","3024.24","0.13","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O2 S Se -","- C16 H15 N O2 S Se -","- C128 H120 N8 O16 S8 Se8 -","8","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","1.54184","CuKα","","0.0425","0.0404","","","0.1104","0.1125","","","","","","1.092","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520474","17.3279","0.0002","7.3648","0.0001","20.9885","0.0003","90","","90","","90","","2678.48","0.06","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Fe N2 -","- C16 H16 Fe N2 -","- C128 H128 Fe8 N16 -","8","1","","Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Ferrocene complex C16H16FeN2","Crystal Structure Report Archive","2010","","","1277","","","","","0.71073","MoKα","","0.0386","0.0328","","","0.0773","0.0813","","","","","","1.068","","","","has coordinates","138995","2020-10-21","18:00:00",""
"1520492","7.24","0.006","11.439","0.01","29.79","0.03","90","","90","","90","","2467","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C104 H80 Cl8 N24 O16 -","8","1","","Xia, Guomin; Ruan, Chengyan; Wang, Hongming","Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies.","The Analyst","2015","140","15","5099","5104","10.1039/c5an00947b","","","0.71073","MoKα","","0.0435","0.03","","","0.0756","0.0823","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1520505","7.2355","0.0005","20.9295","0.0019","23.0167","0.0015","90","","90","","90","","3485.5","0.5","293.1","0.12","293.1","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 I N O -","- C20 H16 I N O -","- C160 H128 I8 N8 O8 -","8","1","","Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.","Organic letters","2015","17","12","3186","3189","10.1021/acs.orglett.5b01590","","x-ray","0.71073","MoKα","","0.1076","0.0639","","","0.1407","0.1839","","","","","","1.032","","","","has coordinates","140275","2020-10-21","18:00:00",""
"1520566","20.6289","0.0011","22.2856","0.0013","24.1696","0.0014","90","","90","","90","","11111.4","1.1","100","2","99.96","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F9 O16 S3 -","- C51 H55 F9 O16 S3 -","- C408 H440 F72 O128 S24 -","8","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.1801","0.1169","","","0.3006","0.3487","","","","","","1.093","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520574","7.4565","0.0001","18.3137","0.0002","20.6855","0.0003","90","","90","","90","","2824.73","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-methoxyphenyl)-3-methyl-2-phenylpyridine","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","0.71073","MoKα","","0.0604","0.0421","","0.1211","0.102","0.1211","","","","","","0.9741","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520605","22.958","0.007","16.139","0.004","10.672","0.005","90","","90","","90","","3954","2","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Mo O6 -","","","8","1","","Lehtonen, Ari; Sillanpaa, Reijo","Dioxomolybdenum(VI) Complexes of Chelating Alkoxides","Acta Chemica Scandinavica","1999","53","","1078","1082","10.3891/acta.chem.scand.53-1078","","x-ray","0.71069","MoKα","","","0.042","","","0.075","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1520624","18.6017","0.0003","18.6158","0.0003","19.1084","0.0003","90","","90","","90","","6616.96","0.18","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H64 F N O4 -","- C28 H64 F N O4 -","- C224 H512 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0558","0.0427","","0.1038","0.0979","0.1038","","","","","","0.9864","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520633","11.7745","0.0002","15.3391","0.0003","24.3582","0.0004","90","","90","","90","","4399.34","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","CWS-621","","","- C22 H21 Br N2 O3 S2 -","- C22 H21 Br N2 O3 S2 -","- C176 H168 Br8 N16 O24 S16 -","8","1","","Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho","Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines.","Organic letters","2015","17","13","3330","3333","10.1021/acs.orglett.5b01553","","","0.71073","","","0.055","0.0357","","","0.079","0.0874","","","","","","1.033","","","","has coordinates","140262","2020-10-21","18:00:00",""
"1520660","9.0806","0.0004","15.5457","0.0006","23.2185","0.0009","90","","90","","90","","3277.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C16 H10 Cl2 I2 -","- C16 H10 Cl2 I2 -","- C128 H80 Cl16 I16 -","8","1","","Sproul, Kyle C.; Chalifoux, Wesley A.","Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.","Organic letters","2015","17","13","3334","3337","10.1021/acs.orglett.5b01558","","","0.71073","MoKα","","0.0277","0.0255","","","0.0608","0.0617","","","","","","1.174","","","","has coordinates","152908","2020-10-21","18:00:00",""
"1520667","21.4391","0.0003","21.7284","0.0002","36.5231","0.0005","90","","90","","90","","17013.8","0.4","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H142 Ge2 Si14 -","- C64 H142 Ge2 Si14 -","- C512 H1136 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.078","0.0562","","","0.1454","0.1633","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520685","15.5081","0.0014","11.7102","0.0009","20.245","0.002","90","","90","","90","","3676.6","0.6","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cl O4 -","- C21 H21 Cl O4 -","- C168 H168 Cl8 O32 -","8","1","","Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S.","Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols.","Organic letters","2015","17","14","3482","3485","10.1021/acs.orglett.5b01541","","","0.71073","MoKα","","0.1068","0.0502","","","0.0832","0.0996","","","","","","0.999","","","","has coordinates","154783","2020-10-21","18:00:00",""
"1520696","9.7137","0.0007","21.2283","0.0015","30.357","0.002","90","","90","","90","","6259.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","man666.01","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C328 H256 N16 O8 -","8","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0828","0.0445","","","0.1081","0.1271","","","","","","1.016","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520726","21.512","0.01","10.424","0.005","40.881","0.018","90","","90","","90","","9167","7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H42 F6 N6 O7 S2 -","- C44 H42 F6 N6 O7 S2 -","- C352 H336 F48 N48 O56 S16 -","8","1","","Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An","Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.","Organic letters","2015","17","14","3442","3445","10.1021/acs.orglett.5b01450","","","0.71073","MoKα","","0.243","0.1095","","","0.231","0.2997","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520728","10.3059","0.0007","20.6482","0.0013","25.5756","0.0017","90","","90","","90","","5442.4","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","QY614","Doyle-Quian QY614","","- C25 H34 N2 O9 Si -","- C25 H34 N2 O9 Si -","- C200 H272 N16 O72 Si8 -","8","1","","Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P.","Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes.","Organic letters","2015","17","14","3568","3571","10.1021/acs.orglett.5b01674","","","0.71073","MoKα","","0.0387","0.0329","","","0.0648","0.0666","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520929","9.466","","12.268","","19.096","","90","","90","","90","","2217.6","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cu (C3 H6 (N H2)2)) (Ni (C N)4)","","- C7 H10 Cu N6 Ni -","- C7 Cu N6 Ni -","- C56 Cu8 N48 Ni8 -","8","1","","Cernak, J.; Lipkowski, J.","Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1999","130","","1195","1206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521911","8.694","","9.248","","16.649","","90","","90","","90","","1338.61","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tl Cu2 (P2 O7)","","- Cu2 O7 P2 Tl -","- Cu2 O7 P2 Tl -","- Cu16 O56 P16 Tl8 -","8","1","","Schwunck, H.M.; Moser, P.; Jung, W.","Tl Cu(I) Cu(II) P2 O7 mit Kupfer in gemischter Valenz - ein Zwischenprodukt bei der Oxidation einer Tl / Cu / P Legierung mit Sauerstoff","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","463","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522000","28.19699","","28.23499","","28.16089","","90","","90","","90","","22420.1","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Sm2.75 C60","","- C60 Sm2.75 -","- C60 Sm2.75 -","- C1920 Sm88 -","32","4","","Sun, Z.; Chen, X.H.; Takenobu, T.; Iwasa, Y.","Structure and Raman behaviour of Sm2.75 C60","Journal of Physics: Condensed Matter","2000","12","","8919","8926","","","","","","","","","","","","","","","","","","","","","","has coordinates","142219","2020-10-21","18:00:00",""
"1522123","5.51","","11.07","","15.81","","90","","90","","90","","964.342","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Ga O2","","- Ga K O2 -","- Ga K O2 -","- Ga16 K16 O32 -","16","2","","Vielhaber, E.; Hoppe, R.","Oxogallate der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","369","","14","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523950","9.14986","","12.209","","6.58353","","90","","90","","90","","735.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (I O3)2 (H2 O)2","","- H4 I2 Ni O8 -","- H4 I2 Ni O8 -","- H16 I8 Ni4 O32 -","4","0.5","","Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A.","Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I","Journal of Chemical Physics","1973","59","","2007","2018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524479","6.492","","12.24","","21.33","","90","","90","","90","","1694.93","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 Yb (N H2)6","","- H12 N6 Na3 Yb -","- H12 N6 Na3 Yb -","- H96 N48 Na24 Yb8 -","8","1","","Hadenfeldt, C.; Jacobs, H.","Darstellung, Eigenschaften und Kristallstruktur von Na3 Yb (N H2)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","393","","111","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1525567","12.115","","19.708","","10.11","","90","","90","","90","","2413.89","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","H Cl O4 (H2 O)3.5","","- Cl H8 O7.5 -","- Cl H8 O7.5 -","- Cl16 H128 O120 -","16","2","","Almloef, J.","Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5","Chemica Scripta","1973","3","","73","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525580","14.259","","14.234","","14.238","","90","","90","","90","","2889.78","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na Zn (P O3)3","","- Na O9 P3 Zn -","- Na O9 P3 Zn -","- Na16 O144 P48 Zn16 -","16","2","","Aouad, H.; Maazaz, M.; Belharouak, I.","Crystal structure and luminescence properties of silver(I) doped polyphosphate Na Zn (P O3)3","Materials Research Bulletin","2000","35","","2457","2467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525682","5.1477","","5.4425","","14.6977","","90","","90","","90","","411.776","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Rh2 O3","","- O3 Rh2 -","- O3 Rh2 -","- O24 Rh16 -","8","1","","Biesterbos, J.W.M.; Hornstra, J.","The Crystal Structure of the high-temperature low-pressure Form of Rh2 O3","Journal of the Less-Common Metals","1973","30","","121","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","146710","2020-10-21","18:00:00",""
"1525973","9.158","","12.206","","6.584","","90","","90","","90","","735.976","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (I O3)2 (D2 O)2","","- D4 I2 Ni O8 -","- D4 I2 Ni O8 -","- D16 I8 Ni4 O32 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O.","The crystallographic and magnetic structure of Ni (I O3)2 (H2 O)2","Physica (Utrecht) (18,1952-78,1974)","1972","57","","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526014","10.4971","","11.0683","","16.211","","90","","90","","90","","1883.48","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Nd3 N) Cl6","","- Cl6 N Nd3 -","- Cl6 N Nd3 -","- Cl48 N8 Nd24 -","8","1","","Meyer, M.; Lissner, F.; Schleid, T.","Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N Nd4)(9+)-Tetraeder","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1205","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526044","5.3945","","5.5999","","11.7653","","90","","90","","90","","355.414","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca2 (Ru O4)","","- Ca2 O4 Ru -","- Ca2 O4 Ru -","- Ca8 O16 Ru4 -","4","0.5","","Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526045","5.4207","","5.4802","","11.9395","","90","","90","","90","","354.681","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca1.9 Sr0.1) (Ru O4)","","- Ca1.9 O4 Ru Sr0.1 -","- Ca1.9 O4 Ru Sr0.1 -","- Ca7.6 O16 Ru4 Sr0.4 -","4","0.5","","Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526047","5.3304","","5.319","","12.4094","","90","","90","","90","","351.836","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca1.8 Sr0.2) (Ru O4)","","- Ca1.8 O4 Ru Sr0.2 -","- Ca1.8 O4 Ru Sr0.2 -","- Ca7.2 O16 Ru4 Sr0.8 -","4","0.5","","Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526106","7.9403","","9.8218","","20.4244","","90","","90","","90","","1592.86","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Rb H5 (As O4)2","","- As2 H5 O8 Rb -","- As2 H5 O8 Rb -","- As16 H40 O64 Rb8 -","8","1","","Naili, H.; Mhiri, T.","X-ray structural, vibrational and calorimetric studies of a new rubidium pentahydrogen arsenate Rb H5 (As O4)2","Journal of Alloys Compd.","2001","315","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526444","8.686","","8.792","","24.146","","90","","90","","90","","1843.96","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li2 Mn2 (S O4)3","","- Li2 Mn2 O12 S3 -","- Li2 Mn2 O12 S3 -","- Li16 Mn16 O96 S24 -","8","1","","Isasi, J.; Train, C.; Jaulmes, S.; Quarton, M.; Elfakir, A.","Crystal structure and magnetic properties of Li2 Mn2 (S O4)3","Journal of Solid State Chemistry","2001","158","","148","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","147629","2020-10-21","18:00:00",""
"1526641","18.02411","","13.91737","","9.65536","","90","","90","","90","","2422.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al24 O96 P24 -","24","3","","Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Smith, J.V.; Broach, R.W.; Wilson, S.T.","The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method","Microporous and Mesoporous Materials","2000","39","","319","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526660","5.4482","","10.916","","15.445","","90","","90","","90","","918.554","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Al O2","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","","Sokolowski, J.; Kotarba, A.","The structure of potassium aluminium oxide K Al O2","Materials Science Forum","2000","321","","954","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526735","18.276","","8.819","","5.196","","90","","90","","90","","837.471","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Ca.069 Mg1.490 Fe.332 Fe.077 Al.046 Al.150 Si1.850) O6","","- Al0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85 -","- Al0.19 Ca0.07 Fe0.39 Mg1.5 O6 Si1.85 -","- Al1.52 Ca0.56 Fe3.12 Mg12 O48 Si14.8 -","8","1","","Takeda, H.","Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin","Journal of Geophysical Research","1972","77","29","5798","5811","10.1029/JB077i029p05798","","","","","","","","","","","","","","","","","","","","","has coordinates","175280","2020-10-21","18:00:00",""
"1527115","22.581","","13.931","","10.001","","90","","90","","90","","3146.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cr4 (O H)6 (N H3)12 Br6 (H2 O)2","","- Br6 Cr4 H46 N12 O8 -","- Br6 Cr4 H46 N12 O8 -","- Br24 Cr16 H184 N48 O32 -","4","0.5","","Bang, E.; Narasimha, T.","The crystal structure of di-mue-hydroxotetrakis-mue-hydroxobis(tetraminechromium III))bis(diamminechromium(III))bromide dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","275","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527189","12.9","","15.64","","6.9","","90","","90","","90","","1392.12","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Pt I4","","- I4 Pt -","- I4 Pt -","- I32 Pt8 -","8","1","","Brodersen, K.; Thiele, G.; Holle, B.","Zur Kenntnis des Platin(IV)-jodids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","369","","154","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527203","10.36","","5.99","","18.04999","","90","","90","","90","","1120.12","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 Co O4","","- Co Na5 O4 -","- Co Na5 O4 -","- Co8 Na40 O32 -","8","1","","Burow, W.; Hoppe, R.","Das erste Oxocobaltat(III) mit Inselstruktur: Na5 (Co O4)","Naturwissenschaften","1980","67","","192","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527297","11.33","","26.252","","9.94","","90","","90","","90","","2956.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H4)2 Sb4 S7","","- H8 N2 S7 Sb4 -","- N2 S7 Sb4 -","- N16 S56 Sb32 -","8","1","","Dittmar, G.; Schaefer, H.","Darstellung und Kristallstruktur von (N H4)2 Sb4 S7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","437","","183","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","148784","2020-10-21","18:00:00",""
"1527333","5.83","","24.27","","11.82","","90","","90","","90","","1672.46","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na As Se2","","- As Na Se2 -","- As Na Se2 -","- As16 Na16 Se32 -","16","2","","Eisenmann, B.; Schaefer, H.","Ueber Seleno- und Telluroarsenite, -antimonite und -bismutite","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527607","10.994","","7.224","","6.662","","90","","90","","90","","529.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cu (S C N)","","- C Cu N S -","- C Cu N S -","- C8 Cu8 N8 S8 -","8","1","","Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J.","Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex","Inorganica Chimica Acta","1976","17","","161","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527685","13.756","","7.439","","5.617","","90","","90","","90","","574.793","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Tc2 O7","","- O7 Tc2 -","- O7 Tc2 -","- O28 Tc8 -","4","0.5","","Krebs, B.","Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","380","","146","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","149377","2020-10-21","18:00:00",""
"1527716","16.521","","15.956","","6.793","","90","","90","","90","","1790.7","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N H4)3 (Mo O (O2) F4) F","","- F5 H12 Mo N3 O3 -","- F5 H12 Mo N3 O3 -","- F40 H96 Mo8 N24 O24 -","8","1","","Larking, I.; Stomberg, G.","Studies on peroxomolybdates VII. The crystal structure of triammonium fluoride oxoperoxotetrafluoromolybdate(VI), (N H4)3 F Mo O O2 F4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","2043","2054","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527738","19.04","","11.52","","9.36","","90","","90","","90","","2053.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb2 Cr3 O10","","- Cr3 O10 Rb2 -","- Cr3 O10 Rb2 -","- Cr24 O80 Rb16 -","8","1","","Loefgren, P.","On the crystal structures of Rb2 Cr3 O10 and Rb2 Cr4 O13","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3893","3895","","","","","","","","","","","","","","","","","","","","","","has coordinates","149464","2020-10-21","18:00:00",""
"1527770","6.543","","11.405","","18.709","","90","","90","","90","","1396.12","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K4 Pb O3","","- K4 O3 Pb -","- K4 O3 Pb -","- K32 O24 Pb8 -","8","1","","Martens, K.P.; Hoppe, R.","Das erste Oxoplumbat(II) mit Inselstruktur: K4 Pb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","438","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528142","9.607","","13.7","","7.037","","90","","90","","90","","926.181","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cd (P O3)2","","- Cd O6 P2 -","- Cd O6 P2 -","- Cd8 O48 P16 -","8","1","","Tordjman, I.; Beucher, M.; Guitel, J.C.; Bassi, G.","Structure cristalline du polyphosphate de cadmium Cd (P O3)2","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","344","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528250","10.22","","5.94","","17.98","","90","","90","","90","","1091.51","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Na5 Ni O4 -","- Na5 Ni O4 -","- Na40 Ni8 O32 -","8","1","","Zentgraf, H.; Hoppe, R.","Na5 Ni O4, das erste Oxoniccolat(III) mit Inselstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528514","18.4588","","8.9638","","5.2848","","90","","90","","90","","874.428","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.919 Fe0.071) (Mg0.901 Fe0.079) Si2 O6","","- Fe0.15 Mg1.82 O6 Si2 -","- Fe0.15 Mg1.82 O6 Si2 -","- Fe1.2 Mg14.56 O48 Si16 -","8","1","","Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study","Physics and Chemistry of Minerals (Germany)","2007","34","","185","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","150883","2020-10-21","18:00:00",""
"1528556","7.36","","6.38","","12.32","","90","","90","","90","","578.508","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn Te O3","","- O3 Te Zn -","- O3 Te Zn -","- O24 Te8 Zn8 -","8","1","","Hanke, K.","Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten","Naturwissenschaften","1967","54","","199","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528796","5.506","","16.226","","5.487","","90","","90","","90","","490.211","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","0.5","","Pertlik, F.; Zemann, J.","Neubestimmung der Kristallstruktur des Koechlinits","Fortschritte der Mineralogie, Beiheft","1982","60","","162","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528895","9.173","","9.094","","9.202","","90","","90","","90","","767.624","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Li5 Ga O4","","- Ga Li5 O4 -","- Ga Li5 O4 -","- Ga8 Li40 O32 -","8","1","","Stewner, F.; Hoppe, R.","Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4","Naturwissenschaften","1968","55","","297","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528941","17.1965","","39.918","","19.5617","","90","","90","","90","","13428.1","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 Cl6 -","- C60 Cl6 -","- C960 Cl96 -","16","2","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528942","17.226","","40.0522","","19.6088","","90","","90","","90","","13528.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 Br0.85 Cl5.15 -","- C60 Br0.85 Cl5.15 -","- C960 Br13.6 Cl82.4 -","16","2","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528957","13.4043","","11.6463","","24.321","","90","","90","","90","","3796.76","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","((C H3)3 Si)3 C Ga (C H3) I","","- C10.878 H29.634 Ga I1.122 Si3 -","- C10.878 H29.634 Ga I1.122 Si3 -","- C87.024 H237.072 Ga8 I8.976 Si24 -","8","1","","Viefhaus, T.; Schwarz, W.; Locke, K.; Huebler, K.; Weidlein, J.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529092","9.459","0.002","29.785","0.007","34.465","0.008","90","","90","","90","","9710","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(isonicotinoyl)cyclotriguaiacyclene copper(i) tetrafluoroborate","","- C47 H44.5 B Cu F4 N5.5 O11 -","- C47 H40.5 B Cu F4 N5.5 O11 -","- C376 H324 B8 Cu8 F32 N44 O88 -","8","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.6889","","","0.136","0.1163","","","0.3412","0.3652","","","","","","1.318","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529189","19.29","","24.46","","11.02","","90","","90","","90","","5199.6","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","(N H4)10 (H2 W12 O42) (H2 O)10","","- O42 W12 -","- O42 W12 -","- O168 W48 -","4","0.5","","Weiss, G.","Die Struktur des Parawoframations am Beispiel des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","152252","2020-10-21","18:00:00",""
"1529263","7.5352","0.0003","16.1007","0.0006","30.3669","0.0012","90","","90","","90","","3684.2","0.2","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0535","0.0433","","","0.1077","0.114","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529355","15.7046","0.0002","8.83038","0.00016","19.1603","0.0003","90","","90","","90","","2657.1","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 Te -","- C14 H16 O4 Te -","- C112 H128 O32 Te8 -","8","1","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","1.54184","CuKα","","0.053","0.048","","","0.1271","0.133","","","","","","1.039","","","","has coordinates,has disorder","152924","2020-10-21","18:00:00",""
"1529386","11.116","0.001","18.075","0.002","6.559","0.0007","90","","90","","90","","1317.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 O4 -","- C2 H6 N5 O4 -","- C16 H48 N40 O32 -","8","1","","A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov","Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine","Journal of Structural Chemistry","2004","45","3","532","536","10.1007/s10947-005-0025-6","","","1.5406","","","0.0726","0.0502","","","0.1401","0.1556","","","","","","0.986","","","","has coordinates,has Fobs","153316","2020-10-21","18:00:00",""
"1529458","24.274","0.002","16.262","0.001","12.626","0.002","90","","90","","90","","4984","0.9","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O5 -","- C29 H32 O5 -","- C232 H256 O40 -","8","1","","Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal","Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells.","Journal of natural products","2015","78","9","2187","2197","10.1021/acs.jnatprod.5b00222","","x-ray","0.71073","MoKα","","0.1791","0.0598","","","0.1082","0.1426","","","","","","1.023","","","","has coordinates","160546","2020-10-21","18:00:00",""
"1529863","12.3364","0.0006","8.7782","0.0004","36.9717","0.0014","90","","90","","90","","4003.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C200 H208 O16 -","8","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.1412","0.0598","","","0.117","0.15","","","","","","0.999","","","","has coordinates","154521","2020-10-21","18:00:00",""
"1530098","13.122","","9.982","","11.189","","90","","90","","90","","1465.58","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K4 Li (I O6)","","- I K4 Li O6 -","- I K4 Li O6 -","- I8 K32 Li8 O48 -","8","1","","Hoppe, R.; Schneider, J.","Eine ""misslungene"" Synthese: ueber K2 Li (I O6) und K5 I2 (Au O2)","Journal of the Less-Common Metals","1988","137","","85","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530143","7.475","","16.24","","16.666","","90","","90","","90","","2023.15","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tl3 (Pd Cl5)","","- Cl5 Pd Tl3 -","- Cl5 Pd Tl3 -","- Cl40 Pd8 Tl24 -","8","1","","Keller, H.L.; Schroeder, L.","Darstellung und Kristallstruktur von Tl3 Pd Cl5","Journal of the Less-Common Metals","1987","132","","287","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530153","5.1","","5.1","","5.1","","90","","90","","90","","132.651","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Ta2 O2.2","","- O2.2 Ta2 -","- O2.2 Ta2 -","- O4.4 Ta4 -","2","0.25","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Structures with fcc cells in thin films of oxides of Ta and Nb","Kristallografiya","1979","24","","1254","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","155137","2020-10-21","18:00:00",""
"1530246","13.421","","7.053","","6.817","","90","","90","","90","","645.286","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca.46 Sr.54 Cl2","","- Ca0.46 Cl2 Sr0.54 -","- Ca0.46 Cl2 Sr0.54 -","- Ca3.68 Cl16 Sr4.32 -","8","1","","Lasocha, W.; Eick, H.A.","The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure","Journal of Solid State Chemistry","1988","75","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155314","2020-10-21","18:00:00",""
"1530477","6.766","","11.999","","26.61","","90","","90","","90","","2160.34","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 Pb (N O2)3 (N O3) (H2 O)","","- H2 K2 N4 O10 Pb -","- K2 N4 O10 Pb -","- K16 N32 O80 Pb8 -","8","1","","Nardelli, M.; Pelizzi, G.","Crystal structure of K2 Pb (N O2)3 (N O3) (H2 O)","Inorganica Chimica Acta","1980","38","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530734","9.895","","10.148","","11.544","","90","","90","","90","","1159.19","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al Cl3 (N H3)","","- Al Cl3 H3 N -","- Al Cl3 H3 N -","- Al8 Cl24 H24 N8 -","8","1","","Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I.","Structure and vibrational spectra of aluminium chloride monoammoniate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1649","1652","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530860","17.797","","11.975","","23.33","","90","","90","","90","","4972.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ba (U O2)3 (Mo O4)4 (H2 O)4","","- Ba H8 Mo4 O26 U3 -","- Ba Mo4 O26 U3 -","- Ba8 Mo32 O208 U24 -","8","1","","Tabachenko, V.V.; Balashov, V.L.; Kovba, L.M.; Serezhkin, V.N.","Crystal Structure of Barium Uranyl Molybdate Ba (U O2)3 (Mo O4)4 (H2 O)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","854","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530885","5.577","","11.227","","15.89","","90","","90","","90","","994.92","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Fe O2","","- Fe K O2 -","- Fe K O2 -","- Fe16 K16 O32 -","16","2","","Tomkowicz, Z.; Szytula, A.","Crystal and magnetic structure of K Fe O2","Journal of Physics and Chemistry of Solids","1977","38","","1117","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530925","10.85","","10.875","","13.521","","90","","90","","90","","1595.39","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N H4)2 Sb F3 S O4","","- F3 H8 N2 O4 S Sb -","- F3 H8 N2 O4 S Sb -","- F24 H64 N16 O32 S8 Sb8 -","8","1","","Udovenko, A.A.; Davidovich, R.L.; Volkova, L.M.; Zemnukhova, L.A.","Crystal structure of ammonium sulfatotrifluoroantimonate(III) (N H4)2 Sb F3 S O4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","749","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531142","9.09","","10.344","","10.468","","90","","90","","90","","984.274","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","In (As O4) (H2 O)2","","- As H4 In O6 -","- As H4 In O6 -","- As8 H32 In8 O48 -","8","1","","Chen Zhenxia; Zhao, D.-Y.; Weng, L.-H.; Zhou, Y.-M.; Zhang, H.-Y.","Synthesis and structure of a new three-dimensional microporous indium arsenate","Hua Hsueh Hsueh Pao","2002","60","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531277","5.314","","15.176","","10.999","","90","","90","","90","","887.017","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi Er (Ge O4) O","","- Bi Er Ge O5 -","- Bi Er Ge O5 -","- Bi8 Er8 Ge8 O40 -","8","1","","Cascales, C.; Zaldo, C.","Crystal-field analysis of Eu(3+) energy levels in the new rare-earth R Bi Y1-x Rx Ge O5 oxide","Journal of Solid State Chemistry","2003","171","","262","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531606","11.529","","12.188","","19.701","","90","","90","","90","","2768.29","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Al Br3) (N H3)","","- Al Br3 H3 N -","- Al Br3 H3 N -","- Al16 Br48 H48 N16 -","16","2","","Jacobs, H.; Schroeder, F.O.","Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","327","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531607","13.536","","8.759","","14.348","","90","","90","","90","","1701.12","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Al I3) (N H3)","","- Al H3 I3 N -","- Al H3 I3 N -","- Al8 H24 I24 N8 -","8","1","","Jacobs, H.; Schroeder, F.O.","Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","327","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531703","14.039","","12.987","","14.705","","90","","90","","90","","2681.08","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Co2 (N H2 (C H2)2 N H2)3) (Ge9 O18 (O H)4)","","- C6 H28 Co2 Ge9 N6 O22 -","- C6 Co2 Ge9 N6 O22 -","- C24 Co8 Ge36 N24 O88 -","4","0.5","","Julius, N.N.; Choudhury, A.; Rao, C.N.R.","An organically templated open-framework cobalt germanate","Journal of Solid State Chemistry","2003","170","","124","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","157246","2020-10-21","18:00:00",""
"1531780","5.5918","","11.221","","15.928","","90","","90","","90","","999.412","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 (Fe2 O4)","","- Fe2 K2 O4 -","- Fe2 K2 O4 -","- Fe16 K16 O32 -","8","1","","Moeller, A.","Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2537","2541","","","","","","","","","","","","","","","","","","","","","","has coordinates","157338","2020-10-21","18:00:00",""
"1531924","14.424","","12.044","","15.04","","90","","90","","90","","2612.79","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ru (N O) (O H) (N H3)4) (Re O4)2","","- H13 N5 O10 Re2 Ru -","- H13 N5 O10 Re2 Ru -","- H104 N40 O80 Re16 Ru8 -","8","1","","Minacheva, L.Kh.; Kokunova, V.N.; Sergienko, V.S.; Kokunov, Yu.V.","Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate (Ru (N O) (O H) (N H3)4) (Re O4)2","Zhurnal Neorganicheskoi Khimii","2001","46","","1293","1296","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1532133","11.96","","6.221","","6.134","","90","","90","","90","","456.389","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na (O H) (H2 O)","","- H3 Na O2 -","- H3 Na O2 -","- H24 Na8 O16 -","8","1","","Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R.","Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra","American Mineralogist","2003","88","","436","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532495","14.978","0.002","16.438","0.003","29.361","0.005","90","","90","","90","","7229","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H52 I P2 Pd -","- C33 H52 I P2 Pd -","- C264 H416 I8 P16 Pd8 -","8","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0343","0.029","","","0.059","0.0613","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532509","16.5074","0.0003","8.21747","0.00013","23.5969","0.0004","90","","90","","90","","3200.9","0.09","295.16","0.1","295.16","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 S6 Se2 -","- C12 H6 S6 Se2 -","- C96 H48 S48 Se16 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","1.54184","CuKα","","0.0577","0.0487","","","0.1279","0.1356","","","","","","1.065","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1533070","14.0343","","15.1794","","17.4024","","90","","90","","90","","3707.27","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Roux, M.; Marichal, C.; le Meins, J.M.; Chezeau, J.M.; Baerlocher, C.","Solid state NMR and X-ray diffraction study of three forms of the aluminophosphate Al P O4 - ZON","Microporous and Mesoporous Materials","2003","63","","163","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533713","5.3398","","5.3419","","26.8336","","90","","90","","90","","765.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca3.093 Bi0.693) (Mn3 O10)","","- Bi0.693 Ca3.093 Mn3 O10 -","- Bi0.693 Ca3.093 Mn3 O10 -","- Bi2.772 Ca12.372 Mn12 O40 -","4","0.5","","Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M.","Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study","Solid State Sciences","2003","5","","943","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","159982","2020-10-21","18:00:00",""
"1534126","7.2317","0.0005","11.2958","0.0007","32.232","0.002","90","","90","","90","","2633","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0437","0.0371","","","0.0943","0.099","","","","","","1.027","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534158","14.43","","5.984","","4.925","","90","","90","","90","","425.269","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hg V2 O6","","- Hg O6 V2 -","- Hg O6 V2 -","- Hg4 O24 V8 -","4","0.5","","Angenault, J.; Rimsky, A.","Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","978","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534244","13.18","","6.96","","6.7","","90","","90","","90","","614.61","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Yb Cl2","","- Cl2 Yb -","- Cl2 Yb -","- Cl16 Yb8 -","8","1","","Beck, H.P.; Baernighausen, H.","Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","386","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534306","10.334","","5.974","","18.08199","","90","","90","","90","","1116.3","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 (Fe O4)","","- Fe Na5 O4 -","- Fe Na5 O4 -","- Fe8 Na40 O32 -","8","1","","Brachtel, G.; Hoppe, R.","Zur Kenntnis von Na5 Fe O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","446","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534308","12.42","","12.76","","13.51","","90","","90","","90","","2141.05","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ti Cl4 P O Cl3)2","","- Cl14 O2 P2 Ti2 -","- Cl14 O2 P2 Ti2 -","- Cl56 O8 P8 Ti8 -","4","0.5","","Branden, C.I.; Lindqvist, I.","The Crystal Structure of ((Ti Cl4) (P O Cl))2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","726","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","160869","2020-10-21","18:00:00",""
"1534357","8.245","","8.245","","8.245","","90","","90","","90","","560.495","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zr (P2 O7)","","- O7 P2 Zr -","- O7 P2 Zr -","- O28 P8 Zr4 -","4","0.5","","Chaunac, M.","Etude cristallographique du pyrophosphate de zirconium","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","424","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534400","18.22","0.005","12.964","0.004","24.265","0.007","90","","90","","90","","5731","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H62 N6 O2 S4 -","- C64 H62 N6 O2 S4 -","- C256 H248 N24 O8 S16 -","4","0.5","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1672","0.0698","","","0.147","0.1789","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534628","8.0726","","8.0048","","9.2431","","90","","90","","90","","597.285","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(H3 N) (B F3)","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Goebbels, D.; Meyer, G.","Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1799","1805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534633","9.8504","","9.9096","","11.41","","90","","90","","90","","1113.77","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hg2 (O H) (B F4)","","- B F4 H Hg2 O -","- B F4 Hg2 O -","- B8 F32 Hg16 O8 -","8","1","","Goebbels, D.; Meyer, G.","Hg2 (O H) (B F4), the first basic mercurous tetrafluoroborate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","933","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534640","9.2037","","13.516","","10.0404","","90","","90","","90","","1249","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gd (H Se O4) (Se O4)","","- Gd H O8 Se2 -","- Gd H O8 Se2 -","- Gd8 H8 O64 Se16 -","8","1","","Goehausen, I.; Wickleder, M.S.","Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1115","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534642","8.6857","","5.0521","","9.4954","","90","","90","","90","","416.668","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (O H)3","","- Al H3 O3 -","- Al O3 -","- Al8 O24 -","8","1","","Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D.","Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies","J. Phys. Chem. B","2005","109","","8857","8860","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534721","19.437","","14.595","","12.744","","90","","90","","90","","3615.26","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Co (N H3)6) H8 O3 (Np O2 (S O4)3)","","- Co H26 N6 Np O17 S3 -","- Co N6 Np O17 S3 -","- Co8 N48 Np8 O136 S24 -","8","1","","Grigor'ev, M.S.; Fedoseev, A.M.; Budantseva, N.A.; Struchkov, Yu.T.; Yanovskii, A.I.; Krot, N.N.","Synthesis, crystal and molecular structure of complex neptunium(V) sulfates (Co(NH3)6)(NpO2(SO4)2)*2H2O and (Co(NH3)6)H8O3(NpO2(SO4)3)","Radiokhimiya","1991","33","","54","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534782","10.4385","","9.7374","","11.51111","","90","","90","","90","","1170.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr3 Mo N4","","- Mo N4 Sr3 -","- Mo N4 Sr3 -","- Mo8 N32 Sr24 -","8","1","","Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J.","Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2177","2185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534873","11.495","","7.2293","","25.394","","90","","90","","90","","2110.26","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K (U O2 (I O3)3)","","- I3 K O11 U -","- I3 K O11 U -","- I24 K8 O88 U8 -","8","1","","Shvareva, T.Y.; Almond, P.M.; Albrecht-Schmitt, T.E.","Crystal chemistry and ion-exchange properties of the layered uranyl iodate K [U O2 (I O3)3]","Journal of Solid State Chemistry","2005","178","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534884","10.06","","19.45","","8.7","","90","","90","","90","","1702.3","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","K (H Se O4)","","- K Se -","- K Se -","- K16 Se16 -","16","2","","Madar, J.","A contribution to the crystal structure of K H Se O4","Czechoslovak Journal of Physics","1960","10","","259","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534905","8.219","","10.372","","13.277","","90","","90","","90","","1131.83","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li Na Mo O4 (H2 O)2","","- H4 Li Mo Na O6 -","- H4 Li Mo Na O6 -","- H32 Li8 Mo8 Na8 O48 -","8","1","","Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O.","Crystal structure of dihydrate lithium-sodium molybdate LiNaMoO4*2H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","616","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534995","11.956","","12.156","","15.837","","90","","90","","90","","2301.7","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","((W Cl2)2 Cl2 (C Cl)) Cl","","- C Cl8 W2 -","- C Cl8 W2 -","- C8 Cl64 W16 -","8","1","","Beck, J.; Wolf, F.","W2 Cl7 (C Cl), a polymeric tungsten chlorocarbyne complex","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1453","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535168","6.084","","5.986","","26.235","","90","","90","","90","","955.448","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","La Si As3","","- As3 La Si -","- As3 La Si -","- As24 La8 Si8 -","8","1","","Hayakawa, H.; Ono, S.; Suzuki, A.","The crystal structure of lanthanum silicon triarsenide (La Si As3)","Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-)","1984","1984","","697","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535419","9.14","","7.3541","","10.5355","","90","","90","","90","","708.159","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li4 Sr2 (Cr2 N6)","","- Cr2 Li4 N6 Sr2 -","- Cr2 Li4 N6 Sr2 -","- Cr8 Li16 N24 Sr8 -","4","0.5","","Hochrein, O.; Kniep, R.; Kohout, M.; Schnelle, W.","Li4 Sr2 (Cr2 N6): ein Hexanitridodichromat(V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2738","2743","","","","","","","","","","","","","","","","","","","","","","has coordinates","162793","2020-10-21","18:00:00",""
"1535458","15.15","","8.14","","7.805","","90","","90","","90","","962.52","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr (Br0.3 I1.7)","","- Br0.3 I1.7 Sr -","- Br0.3 I1.7 Sr -","- Br2.4 I13.6 Sr8 -","8","1","","Hodorowicz, S.A.; Eick, H.A.","An X-ray diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535462","15.189","","8.174","","7.84","","90","","90","","90","","973.374","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr (Br0.2 I1.8)","","- Br0.2 I1.8 Sr -","- Br0.2 I1.8 Sr -","- Br1.6 I14.4 Sr8 -","8","1","","Hodorowicz, S.A.; Eick, H.A.","An X-ray diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535466","15.268","","8.251","","7.896","","90","","90","","90","","994.709","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Sr I2","","- I2 Sr -","- I2 Sr -","- I16 Sr8 -","8","1","","Hodorowicz, S.A.; Eick, H.A.","An X-ray diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535504","13.886","","11.666","","8.907","","90","","90","","90","","1442.88","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","K2 Rb2 (Zr F6)2 (H2 O)2","","- F12 H4 K2 O2 Rb2 Zr2 -","- F12 K2 O2 Rb2 Zr2 -","- F48 K8 O8 Rb8 Zr8 -","4","0.5","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.; Logvinova, V.B.","Crystal structure of potassium rubidium hexafluorozirconate dihydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","698","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535510","11.6155","","9.8735","","9.4178","","90","","90","","90","","1080.09","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba (V10 O15)","","- Ba O15 V10 -","- Ba O15 V10 -","- Ba4 O60 V40 -","4","0.5","","Bridges, C.A.; Greedan, J.E.","Phase transitions and electrical transport in the mixed-valence V(2+)/V(3+) oxide Ba V10 O15","Journal of Solid State Chemistry","2004","177","","1098","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535610","7.859","","9.515","","14.744","","90","","90","","90","","1102.53","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs (H2 P O4) (H F)","","- Cs F H3 O4 P -","- Cs F H3 O4 P -","- Cs8 F8 H24 O32 P8 -","8","1","","Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.","Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1687","1692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535793","4.932","","34.14","","5.941","","90","","90","","90","","1000.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ni5 Si2 P3","","- Ni5 P3 Si2 -","- Ni5 P3 Si2 -","- Ni40 P24 Si16 -","8","1","","Il'nitskaya, O.N.; Grin', Yu.; Kuz'ma, Yu.B.","Crystal chemical studies of inhomogeneous linear structures. IX.A series of inhomogeneous linear structure of M2m+2n X2m+2n and its new member Ni5 Si2 P3.","Kristallografiya","1992","37","","146","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","163260","2020-10-21","18:00:00",""
"1535878","9.748","","9.174","","13.74","","90","","90","","90","","1228.74","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ce (Se O4)2","","- Ce O8 Se2 -","- Ce O8 Se2 -","- Ce8 O64 Se16 -","8","1","","Iskhakova, L.D.; Kozlova, N.P.; Marugin, V.V.","Crystal structure of Ce (Se O4)2","Kristallografiya","1990","35","","1089","1093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535900","9.232","","13.514","","10.061","","90","","90","","90","","1255.22","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Eu H (Se O4)2","","- Eu H O8 Se2 -","- Eu O8 Se2 -","- Eu8 O64 Se16 -","8","1","","Iskhakova, L.D.; Ovanisyan, S.M.; Trunov, V.K.","Crystal structure of EuH(SeO4)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536020","13.905","","11.497","","8.697","","90","","90","","90","","1390.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K4 (F5 Hf (O2) Hf F5) (H2 O)2","","- F10 H4 Hf2 K4 O4 -","- F10 Hf2 K4 O4 -","- F40 Hf8 K16 O16 -","4","0.5","","Chernyshev, B.N.; Gerasimenko, A.V.; Didenko, N.A.; Bukvetskii, B.V.; Bakeeva, N.G.","Synthesis and structure of dimeasured peroxofluorohafnates K4 Hf2 F10 O2.","Zhurnal Neorganicheskoi Khimii","1991","36","","1112","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536147","16.366","","13.321","","11.41","","90","","90","","90","","2487.51","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tl4 (P2 S6)","","- P2 S6 Tl4 -","- P2 S6 Tl4 -","- P16 S48 Tl32 -","8","1","","Voroshilov, Yu.V.; Gebesh, V.Yu.; Potorii, M.V.","A study of Tl-P-S system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1994","30","","479","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","163752","2020-10-21","18:00:00",""
"1536189","10.258","","8.26","","12.981","","90","","90","","90","","1099.89","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 (V O) (Si4 O10) (H2 O)","","- H2 K2 O12 Si4 V -","- K1.98 O12 Si4 V -","- K7.92 O48 Si16 V4 -","4","0.5","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (VO) (Si6 O14) * 3(H2 O) (VSH-2)","Angew. Chem. Int. ed.","2001","40","","2174","2176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536208","6.3128","","6.3347","","11.3945","","90","","90","","90","","455.663","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Pt Si Sb","","- Pt Sb Si -","- Pt Sb Si -","- Pt8 Sb8 Si8 -","8","1","","Wang, M.; Morgan, M.G.; Mar, A.","Platinum silicon antimonide (Pt Si Sb)","Journal of Solid State Chemistry","2003","175","","231","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536340","10.9536","","16.556","","15.779","","90","","90","","90","","2861.49","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca4 (Te5 O14)","","- Ca4 O14 Te5 -","- Ca4 O14 Te5 -","- Ca32 O112 Te40 -","8","1","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164014","2020-10-21","18:00:00",""
"1536457","15.647","","17.2876","","17.92","","90","","90","","90","","4847.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Eu7 Ga6 Sb8 -","- Eu7 Ga6 Sb8 -","- Eu56 Ga48 Sb64 -","8","1","","Park, S.-M.; Kim, S.-J.; Kanatzidis, M.G.","Eu7 Ga6 Sb8: A Zintl phase with Ga-Ga bonds and polymeric gallium antimonide chains","Journal of Solid State Chemistry","2004","177","","2867","2874","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536663","8.1513","","8.1513","","7.7971","","90","","90","","90","","518.068","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Pd (N H3)2 Cl2)","","- Cl2 H6 N2 Pd -","- Cl2 N2 Pd -","- Cl8 N8 Pd4 -","4","0.5","","Kirik, S.D.; Krapivko, A.A.; Kruglik, A.I.; Yakimov, I.S.","Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by the full-profile analysis technique.","Kristallografiya","1991","36","","1563","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536673","13.003","","12.935","","14.212","","90","","90","","90","","2390.37","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Re2 Te5 -","- Re2 Te5 -","- Re24 Te60 -","12","1.5","","Klaiber, F.; Petter, W.; Hulliger, F.","The structure type of Re2 Te5, a new (M6 X14) cluster compound","Journal of Solid State Chemistry","1983","46","","112","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536699","17.53589","","11.30444","","5.86555","","90","","90","","90","","1162.75","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (P S2 O2)","","- Na3 O2 P S2 -","- Na3 O2 P S2 -","- Na24 O16 P8 S16 -","8","1","","Pompetzki, M.; Dinnebier, R.E.; Jansen, M.","Sodium dithiophosphate(V): crystal structure, sodium ionic conductivity and dismutation","Solid State Sciences","2003","5","","1439","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536875","10.881","0.0016","19.554","0.003","29.442","0.004","90","","90","","90","","6264.3","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3","","","- C66 H90 N2 O8 Zn2 -","- C66 H90 N2 O8 Zn2 -","- C264 H360 N8 O32 Zn8 -","4","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1766","0.0825","","","0.1356","0.1631","","","","","","1.056","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536877","12.2437","0.0008","18.3841","0.0011","30.3846","0.0019","90","","90","","90","","6839.3","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5","","","- C32 H46 N2 O4 Zn -","- C32 H46 N2 O4 Zn -","- C256 H368 N16 O32 Zn8 -","8","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1263","0.0486","","","0.0931","0.1202","","","","","","0.992","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536889","7.329","","11.013","","22.802","","90","","90","","90","","1840.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","La (Se2 O5) (H Se O3) (H2 O)2","","- H5 La O10 Se3 -","- H La O10 Se3 -","- H8 La8 O80 Se24 -","8","1","","Feng, M.-L.; Mao, J.-G.","Synthesis, crystal structure and characterization of a new layered lanthanum(III) diselenite hydrogenselenite: La (Se2 O5) (H Se O3) . H2 O","Journal of Alloys Compd.","2005","391","","33","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536935","10.263","","5.95","","18.064","","90","","90","","90","","1103.07","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 Ga O4","","- Ga Na5 O4 -","- Ga Na5 O4 -","- Ga8 Na40 O32 -","8","1","","Fink, D.; Hoppe, R.","Ein neues Oxogallat Na5 Ga O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","193","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537019","14.49297","","14.87313","","17.57384","","90","","90","","90","","3788.14","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al32 (P O4)32 (H2 O)61.84","","- Al32 H123.68 O189.84 P32 -","- Al32 O189.84 P32 -","- Al32 O189.84 P32 -","1","0.125","","Fjellvag, H.; Akporiaye, D.E.; Halvorsen, E.N.; Karlsson, A.; Lillerud, K.P.; Kongshaug, K.O.","Crystal structure and MAS-NMR study of rehydrated UiO-7","Solid State Sciences","2001","3","","603","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537047","28.172","","29.183","","40.094","","90","","90","","90","","32963","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In22 Li4 O33 S42 -","- In21.994 Li4.007 O33 S42 -","- In175.952 Li32.056 O264 S336 -","8","1","","Zheng Nanfeng; Feng Pingyun; Bu Xianhui","Pentasupertetrahedral clusters as buildung blocks for a three-dimensional sulfide superlattice","Angewandte Chemie (Edition international)","2004","43","","4753","4755","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537221","5.922","","18.396","","11.864","","90","","90","","90","","1292.48","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pb2 Bi (V0.84 P0.16) O6","","- Bi O6 P0.16 Pb2 V0.84 -","- Bi O6 P0.16 Pb2 V0.84 -","- Bi8 O48 P1.28 Pb16 V6.72 -","8","1","","Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P.","Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials","Journal of Solid State Chemistry","2005","178","","2247","2255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537228","18.2248","","8.7822","","5.1927","","90","","90","","90","","831.112","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Mg0.854 Fe0.096 Al0.03) (Al0.03 Si0.97 O3)","","- Al0.06 Fe0.096 Mg0.854 O3 Si0.97 -","- Al0.0595 Fe0.096 Mg0.854 O3 Si0.97 -","- Al0.952 Fe1.536 Mg13.664 O48 Si15.52 -","16","2","","Ganguly, J.; Ghose, S.","Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications","Contributions to Mineralogy and Petrology (23,1969-)","1979","69","","375","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","165265","2020-10-21","18:00:00",""
"1537231","18.1991","","8.78","","5.1666","","90","","90","","90","","825.561","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.956 Al0.044) (Al0.044 Si0.956 O3)","","- Al0.088 Mg0.956 O3 Si0.956 -","- Al0.088 Mg0.956 O3 Si0.956 -","- Al1.408 Mg15.296 O48 Si15.296 -","16","2","","Ganguly, J.; Ghose, S.","Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications","Contributions to Mineralogy and Petrology (23,1969-)","1979","69","","375","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","165269","2020-10-21","18:00:00",""
"1537406","5.437","","19.245","","9.228","","90","","90","","90","","965.572","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mn (Ge O3)","","- Ge Mn O3 -","- Ge Mn O3 -","- Ge16 Mn16 O48 -","16","2","","Herpin, P.; Whuler, A.; Boucher, B.; Sougi, M.","Etude cristallographique et magnetique de Mn Ge O3","Physica Status Solidi, Sectio B: Basic Research","1971","44","","71","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537552","10.1909","","9.5857","","14.2741","","90","","90","","90","","1394.39","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","U (Mo2 O8)","","- Mo2 O8 U -","- Mo2 O8 U -","- Mo16 O64 U8 -","8","1","","Krivovichev, S.V.; Berns, P.C.","Gamma-U Mo2 O8 - a new polymorph of uranium(IV) dimolybdate","Doklady Akad. Nauk","2004","394","","761","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537574","6.05","","4.881","","6.89","","90","","90","","90","","203.462","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ni P -","- Ni P -","- Ni8 P8 -","8","1","","Larsson, E.","An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2","Arkiv foer Kemi","1965","23","","335","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537585","18.211","","8.81","","5.203","","90","","90","","90","","834.764","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Lindemann, W.","Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte )","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1961","1961","","226","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537588","8.71","","6.98","","13.41","","90","","90","","90","","815.272","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Se (C N)2","","- C2 N2 Se -","- C2 N2 Se -","- C16 N16 Se8 -","8","1","","Linke, K.H.; Lemmer, F.","Roentgenographische Kristallstrukturanalyse von Selenidcyanid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","345","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537589","8.6","","6.85","","12.8","","90","","90","","90","","754.048","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S (C N)2","","- C2 N2 S -","- C2 N2 S -","- C16 N16 S8 -","8","1","","Linke, K.H.; Lemmer, F.","Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","345","","203","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537988","13.034","","12.958","","14.24","","90","","90","","90","","2405.06","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Re2 Te5 -","- Re2 Te5 -","- Re24 Te60 -","12","1.5","","Fedorov, V.E.; Mischenko, A.V.; Podberezskaya, N.V.","A physico-chemical characterization of the cluster-type rhenium telluride Re6 Te15","Materials Research Bulletin","1986","21","","1335","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539273","5.72","","5.8","","7.67","","90","","90","","90","","254.46","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd Se2 -","- Pd Se2 -","- Pd4 Se8 -","4","0.5","","Schubert, K.; Vetter, H.; Breimer, H.; Gunzel, E.; Burkhardt, W.; Wilkens, M.; Haufler, R.; Lukas, H.L.; Wegst, J.","Einige strukturelle Ergebnisse an metallischen Phasen. II","Naturwissenschaften","1957","44","","229","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539286","10.86","","35.45","","8.16","","90","","90","","90","","3141.49","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tl Pb As5 S9","","- As5 Pb S9 Tl -","- As5 Pb S9 Tl -","- As40 Pb8 S72 Tl8 -","8","1","","Takeuchi, Y.; Nowacki, W.; Ghose, S.","The crystal structure of the thallium-lead sulfosalt hutchinsonite","Chimia","1964","18","","215","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539341","13.11","","16.239","","14.232","","90","","90","","90","","3029.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs4 Sn5 S12 (H2 O)2","","- Cs4 H4 O2 S12 Sn5 -","- Cs4 O2 S12 Sn5 -","- Cs16 O8 S48 Sn20 -","4","0.5","","Sheldrick, W.S.","Zur Kenntnis von Cs4 Sn5 S12 (H2 O)2, ein Caesium(I)-thiostannat(IV) mit fuenf- und sechsfach koordiniertem Zinn","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539442","6.08","","6.01","","4.8","","90","","90","","90","","175.396","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Hg O2 -","- Hg O2 -","- Hg4 O8 -","4","0.5","","Vannerberg, N.G.","Formation and structure of mercuric peroxides","Arkiv foer Kemi","1959","13","","515","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539448","16.837","","6.407","","8.005","","90","","90","","90","","863.537","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba O2 (H2 O2)2","","- Ba H4 O6 -","- Ba O6 -","- Ba8 O48 -","8","1","","Vannerberg, N.G.","On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2","Arkiv foer Kemi","1959","14","","125","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539449","18.337","","8.971","","5.232","","90","","90","","90","","860.67","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mg.318 Fe.666 Ca.016 Si O3","","- Ca0.016 Fe0.666 Mg0.318 O3 Si -","- Ca0.016 Fe0.666 Mg0.318 O3 Si -","- Ca0.256 Fe10.656 Mg5.088 O48 Si16 -","16","2","","Smyth, J.R.","An orthopyroxene structure up to 850 degrees C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539692","12.523","","12.034","","11.18","","90","","90","","90","","1684.85","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr2 (Ga2 S5)","","- Ga2 S5 Sr2 -","- Ga2 S5 Sr2 -","- Ga16 S40 Sr16 -","8","1","","Eisenmann, B.; Hofmann, A.","Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2 (Ga2 S5), Ba2 (In2 S5) und Ba2 (In2 Se5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","168682","2020-10-21","18:00:00",""
"1539697","13.167","","12.723","","11.784","","90","","90","","90","","1974.1","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba2 (In2 S5)","","- Ba2 In2 S5 -","- Ba2 In2 S5 -","- Ba16 In16 S40 -","8","1","","Eisenmann, B.; Hofmann, A.","Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","168687","2020-10-21","18:00:00",""
"1539701","13.657","","13.182","","12.225","","90","","90","","90","","2200.82","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba2 (In2 Se5)","","- Ba2 In2 Se5 -","- Ba2 In2 Se5 -","- Ba16 In16 Se40 -","8","1","","Eisenmann, B.; Hofmann, A.","Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","168692","2020-10-21","18:00:00",""
"1540038","8.432","","7.939","","19.974","","90","","90","","90","","1337.09","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cl2 Te) S Se N2","","- Cl2 N2 S Se Te -","- Cl2 N2 S Se Te -","- Cl16 N16 S8 Se8 Te8 -","8","1","","Haas, A.; Kasprowski, J.; Pryka, M.","Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3)","Chemische Berichte","1992","125","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540283","17.121","","13.186","","20.644","","90","","90","","90","","4660.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K2 (Gd10 (C2)2) Br20","","- C4 Br20 Gd10 K2 -","- C4 Br20 Gd10 K2 -","- C16 Br80 Gd40 K8 -","4","0.5","","Liess, H.; Steffen, F.; Meyer, G.","Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20","Journal of Alloys Compd.","1997","246","","242","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","169533","2020-10-21","18:00:00",""
"1540469","16.0499","0.0009","7.6796","0.0003","22.6554","0.0011","90","","90","","90","","2792.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br N -","- C16 H15 Br N -","- C128 H120 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","","","0.1402","0.0566","","","0.1161","0.1477","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540471","17.503","0.004","8.0333","0.0016","21.133","0.004","90","","90","","90","","2971.4","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br N -","- C17 H18 Br N -","- C136 H144 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.2594","0.105","","","0.2872","0.3808","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540473","16.319","0.003","8.0724","0.0016","24.455","0.005","90","","90","","90","","3221.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.173","0.073","","","0.1453","0.182","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540481","9.4116","0.0003","15.8331","0.0005","24.7415","0.001","90","","90","","90","","3686.8","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C168 H152 N8 O32 -","8","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","0.71073","MoKα","","0.0867","0.0476","","","0.1284","0.1384","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540489","14.361","0.003","22.678","0.005","25.532","0.006","90","","90","","90","","8315","3","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H44 F12 N O3 P3 Pd -","- C38 H44 F12 N O3 P3 Pd -","- C304 H352 F96 N8 O24 P24 Pd8 -","8","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.09","0.083","","","0.1731","0.177","","","","","","1.306","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540497","14.3269","0.0011","17.0916","0.0012","42.481","0.003","90","","90","","90","","10402.3","1.3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8Me-[8]CMP","","- C62.9 H62.9 Cl2.71 -","- C62.904 H62.904 Cl2.712 -","- C503.232 H503.232 Cl21.696 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0675","0.0618","","","0.1835","0.1884","","","","","","1.028","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540499","16.2912","0.0016","15.2859","0.0017","43.96","0.004","90","","90","","90","","10947.2","1.9","93","","93","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","3Me-[6]CMP","","- C39 H30 -","- C39 H30 -","- C624 H480 -","16","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.037","0.0343","","","0.0904","0.0926","","","","","","1.05","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540594","11.3289","0.0006","14.3997","0.0007","19.8404","0.001","90","","90","","90","","3236.6","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C168 H128 O32 -","8","1","","Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang","Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition.","Organic letters","2015","17","22","5638","5641","10.1021/acs.orglett.5b02912","","","0.71073","MoKα","","0.0564","0.0395","","","0.0925","0.0994","","","","","","1.029","","","","has coordinates","170743","2020-10-21","18:00:00",""
"1540604","10.6778","0.0003","8.9179","0.0002","27.039","0.0007","90","","90","","90","","2574.75","0.11","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 B N4 -","- C15 H13 B N4 -","- C120 H104 B8 N32 -","8","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.036","0.0319","","","0.0769","0.0794","","","","","","1.074","","","","has coordinates","170754","2020-10-21","18:00:00",""
"1540611","16.685","0.004","16.536","0.004","37.285","0.008","90","","90","","90","","10287","4","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 H56 Si4 -","- C60 H56 Si4 -","- C480 H448 Si32 -","8","1","","Fu, Xiangyu; Zhao, Dahui","Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates.","Organic letters","2015","17","22","5694","5697","10.1021/acs.orglett.5b03000","","","0.71073","MoKα","","0.0923","0.0829","","","0.1789","0.1845","","","","","","1.32","","","","has coordinates","170761","2020-10-21","18:00:00",""
"1540641","14.6954","0.0004","14.3307","0.0006","18.2161","0.0004","90","","90","","90","","3836.2","0.2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18.37 N4 O7.68 Y -","- C16 H18.3664 N4 O7.6832 Y -","- C128 H146.931 N32 O61.4656 Y8 -","8","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","1.54184","CuKα","","0.0612","0.0447","","","0.1075","0.1183","","","","","","1.054","","","","has coordinates,has disorder","170845","2020-10-21","18:00:00",""
"1540652","22.0243","0.0016","16.0659","0.0011","23.6931","0.0017","90","","90","","90","","8383.6","1","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H63 Br6 Fe3 N9 -","- C27 H63 Br6 Fe3 N9 -","- C216 H504 Br48 Fe24 N72 -","8","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","0.0661","0.0623","","","0.1372","0.1391","","","","","","1.3","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540707","24.4634","0.0019","6.1982","0.0004","25.443","0.002","90","","90","","90","","3857.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","hd_bam","hd_bam_0ma","","- C21 H16 F2 N4 O4 -","- C21 H16 F2 N4 O4 -","- C168 H128 F16 N32 O32 -","8","1","","Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko","Catalytic activation of a single C‒F bond in trifluoromethyl arenes","Chem. Sci.","2016","7","1","505","","10.1039/C5SC03415A","","","0.71073","MoKα","","0.1047","0.0487","","","0.0925","0.1112","","","","","","1.003","","","","has coordinates","171583","2020-10-21","18:00:00",""
"1540721","18.6608","0.0013","19.993","0.0015","21.8841","0.0015","90","","90","","90","","8164.6","1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H40 F6 N3 P3 Ru S -","- C43 H40 F6 N3 P3 Ru S -","- C344 H320 F48 N24 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.0653","0.0445","","","0.1127","0.1292","","","","","","1.038","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540722","18.3794","0.0011","19.6522","0.0012","21.8753","0.0013","90","","90","","90","","7901.3","0.8","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H39 F6 N4 P3 Ru S -","- C42 H39 F6 N4 P3 Ru S -","- C336 H312 F48 N32 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.123","0.0661","","","0.1692","0.2013","","","","","","1.025","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540957","6.755","","9.689","","16.645","","90","","90","","90","","1089.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs (As Se2)","","- As Cs Se2 -","- As Cs Se2 -","- As8 Cs8 Se16 -","8","1","","Sheldrick, W.S.; Haeusler, H.J.","Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und Kristallstrukturen von M As Se2, M = K, Rb, Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","561","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541011","6.812","","11.7871","","19.7991","","90","","90","","90","","1589.74","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb4 Pb O3","","- O3 Pb Rb4 -","- O3 Pb Rb4 -","- O24 Pb8 Rb32 -","8","1","","Stoll, H.; Brazel, B.; Hoppe, R.","Neue Oxoplumbate(II) mit Inselstruktur: Rb4 (Pb O3) und Cs4 (Pb O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","564","","45","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541034","7.467","","13.394","","19.904","","90","","90","","90","","1990.66","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","U (H2 P O2)4","","- H8 O8 P4 U -","- O8 P4 U -","- O64 P32 U8 -","8","1","","Tanner, P.A.; Sze, T.; Mak, T.C.W.; Yip, W.","Synthesis, crystal structure and vibrational spectra of uranium(IV)hypophosphite","Journal of Crystallographic and Spectroscopic Research","1992","22","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541344","8.474","","10.602","","13.865","","90","","90","","90","","1245.65","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na2 (W O4) (H2 O)2","","- H4 Na2 O6 W -","- Na2 O6 W -","- Na16 O48 W8 -","8","1","","Okada, K.; Morikawa, H.; Marumo, F.; Iwai, S.I.","Crystal structure of Na2 W O4 (H2 O)2","Bulletin of the Tokyo Institute of Technology","1974","120","","7","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541351","12.934","","7.145","","13.626","","90","","90","","90","","1259.22","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 (Pt I4) (H2 O)2","","- H4 I4 K2 O2 Pt -","- H4 I4 K2 O2 Pt -","- H16 I16 K8 O8 Pt4 -","4","0.5","","Olsson, L.F.; Oskarsson, A.","The crystal structure of potassium tetraiodoplatinate(II) dihydrate","Acta Chemica Scandinavica (43,1989-)","1989","43","","811","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1541712","16.802","","20.311","","8.783","","90","","90","","90","","2997.33","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","K4 ((N C S)4 O Mo O Mo O (N C S)4) (H2 O)4","","- C8 K4 Mo2 N8 O5 S8 -","- C8 K4 Mo2 N8 O5 S8 -","- C32 K16 Mo8 N32 O20 S32 -","4","0.5","","Bino, A.; Cohen, S.; Tsimering, L.","The Crystal Structure of Potassium mue-oxo-bis(oxotetra(Isothio-cyanato)molybdate(V)) Tetrahydrate","Inorganica Chimica Acta","1983","77","","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","173155","2020-10-21","18:00:00",""
"1541728","12.848","","13.37","","13.967","","90","","90","","90","","2399.22","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H2 (C3 H7)2) (Cu2 (C N)3)","","- C9 H16 Cu2 N4 -","- C9 H16 Cu2 N4 -","- C72 H128 Cu16 N32 -","8","1","","Pretsch, T.; Hartl, H.; Bruedgam, I.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","173180","2020-10-21","18:00:00",""
"1541736","10.07","","11.603","","18.39","","90","","90","","90","","2148.73","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Cu (C (N H3)2 N (N H)2 N H2) Cl3) Cl (H2 O)","","- C H12 Cl4 Cu N6 O -","- C H12 Cl4 Cu N6 O -","- C8 H96 Cl32 Cu8 N48 O8 -","8","1","","Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A.","Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O)","Polyhedron","2000","19","","1737","1740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541791","11.756","","12.901","","13.522","","90","","90","","90","","2050.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce (N O3)3 (H2 O)4","","- Ce H8 N3 O13 -","- Ce N3 O13 -","- Ce8 N24 O104 -","8","1","","Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B.","Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3","Crystal Structure Communications","1982","11","","1241","1244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541866","8.7597","","6.7809","","27.113","","90","","90","","90","","1610.48","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cs (Cu2 (C N)3) (H2 O)","","- C3 H2 Cs Cu2 N3 O -","- C3 H2 Cs Cu2 N3 O -","- C24 H16 Cs8 Cu16 N24 O8 -","8","1","","Pretsch, T.; Bruedgam, I.; Hartl, H.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541868","20.453","","11.844","","5.221","","90","","90","","90","","1264.76","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Na2 Zn2 Ti Ge O7","","- Ge Na2 O7 Ti Zn2 -","- Ge Na2 O7 Ti Zn2 -","- Ge8 Na16 O56 Ti8 Zn16 -","8","1","","Sandomirskii, P.A.; Evstigneyeva, T.; Simonov, M.A.; Belov, N.V.","Crystal structure of Na2 Ti Zn2 Ge O4 O3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","1080","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541925","16.05","0.0008","11.2326","0.0005","24.8893","0.0013","90","","90","","90","","4487.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H32 O3 S -","- C25 H32 O3 S -","- C200 H256 O24 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0687","0.0423","","","0.0999","0.1145","","","","","","1.011","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541947","11.311","","9.728","","7.314","","90","","90","","90","","804.784","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi (Cr O4 (O H))","","- Bi Cr H O5 -","- Bi Cr O5 -","- Bi8 Cr8 O40 -","8","1","","Aurivillius, B.; Loewenhielm, A.","The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1937","1957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542044","9.169","","7.958","","8.548","","90","","90","","90","","623.721","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li B (O H)4","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Kutschabsky, L.; Reck, G.","Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten","Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin","1966","8","","648","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542046","9.218","","9.213","","9.159","","90","","90","","90","","777.832","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Li5 Fe O4","","- Fe Li5 O4 -","- Fe Li5 O4 -","- Fe8 Li40 O32 -","8","1","","Luge, R.; Hoppe, R.","Zur Kenntnis von Li5 Fe O4. Mit einer Notiz ueber Mischkristalle Na5 Fe1-x Gax O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","513","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542271","11.3075","0.0007","17.5868","0.0011","20.908","0.0013","90","","90","","90","","4157.8","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 Cr N4 -","- C18 H34 Cr N4 -","- C144 H272 Cr8 N32 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0858","0.049","","","0.1197","0.1454","","","","","","1.044","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542273","16.6334","0.0014","14.8352","0.0012","18.1191","0.0015","90","","90","","90","","4471.1","0.6","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cr N4 O -","- C20 H36 Cr N4 O -","- C160 H288 Cr8 N32 O8 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0533","0.0405","","","0.1057","0.1168","","","","","","1.042","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542300","13.346","0.0005","19.6302","0.0007","30.1437","0.0011","90","","90","","90","","7897.2","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C336 H320 F24 Ir8 N48 O24 S24 -","8","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0228","0.0227","","","0.0588","0.059","","","","","","1.127","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542342","7.1579","0.0006","12.4992","0.0009","24.3054","0.0017","90","","90","","90","","2174.6","0.3","103","2","103.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F4 N2 O -","- C10 H12 F4 N2 O -","- C80 H96 F32 N16 O8 -","8","1","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.0817","0.073","","","0.1768","0.1875","","","","","","1.099","","","","has coordinates","177432","2020-10-21","18:00:00",""
"1542444","16.336","0.011","7.549","0.005","21.555","0.016","90","","90","","90","","2658","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei","Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.","Organic letters","2016","18","5","1064","","10.1021/acs.orglett.6b00177","","","0.71073","MoKα","","0.1454","0.059","","","0.1623","0.2243","","","","","","0.636","","","","has coordinates","177456","2020-10-21","18:00:00",""
"1542455","10.2208","0.0005","10.8693","0.0006","18.1059","0.0006","90","","90","","90","","2011.44","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","ZQ4001","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","IUCrData","2016","1","1","x160038","","10.1107/S2414314616000389","","","0.71069","MoKα","","0.0757","0.0467","","","0.123","0.1378","","","","","","1.047","","","","has coordinates,has Fobs","177502","2020-10-21","18:00:00",""
"1542492","20.944","0.006","9.316","0.003","24.309","0.007","90","","90","","90","","4743","2","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","","- C25 H20 O12 -","- C25 H20 O12 -","- C200 H160 O96 -","8","1","ZS2360","Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","IUCrData","2016","1","1","x160028","","10.1107/S2414314616000286","","","0.71073","MoKα","","0.0838","0.0616","","","0.156","0.1789","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","177541","2020-10-21","18:00:00",""
"1542531","11.913","0.0009","11.445","0.001","20.7458","0.0017","90","","90","","90","","2828.6","0.4","120","2","120.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","","- C26 H30 Cl4 N6 Ni2 O2 -","- C26 H30 Cl4 N6 Ni2 O2 -","- C104 H120 Cl16 N24 Ni8 O8 -","4","0.5","LH5805","Glazier, Brian M.; Golen, James A.; Manke, David R.","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","IUCrData","2016","1","2","x160259","","10.1107/S2414314616002595","","","1.54178","CuKα","","0.0466","0.0315","","","0.0677","0.0729","","","","","","1.044","","","","has coordinates,has Fobs","176772","2020-10-21","18:00:00",""
"1542558","27.4702","0.0008","17.1432","0.0006","27.9778","0.0008","90","","90","","90","","13175.5","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N Ni O3 P3 S3 Si3 -","- C68 H74 N Ni O3 P3 S3 Si3 -","- C544 H592 N8 Ni8 O24 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0912","0.0552","","","0.1449","0.1725","","","","","","1.042","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542559","27.5733","0.0007","17.0409","0.0005","27.8585","0.0008","90","","90","","90","","13090","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C544 H592 N16 Ni8 O16 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0499","0.0382","","","0.106","0.1276","","","","","","1.171","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542575","13.3161","0.0018","7.7509","0.0011","33.992","0.005","90","","90","","90","","3508.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Br N4 -","- C21 H15 Br N4 -","- C168 H120 Br8 N32 -","8","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.1112","0.0562","","","0.1338","0.1597","","","","","","1.028","","","","has coordinates","181451","2020-10-21","18:00:00",""
"1542631","8.5688","0.001","19.141","0.003","21.222","0.003","90","","90","","90","","3480.7","0.8","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","","Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji","Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives.","Organic letters","2016","18","4","696","699","10.1021/acs.orglett.5b03666","","","0.71075","MoKα","","0.1257","0.0704","","","0.1451","0.1697","","","","","","1.04","","","","has coordinates,has disorder","177287","2020-10-21","18:00:00",""
"1542662","8.0119","0.0012","20.775","0.003","34.265","0.005","90","","90","","90","","5703.3","1.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H9 O P S2 -","- C18 H9 O P S2 -","- C288 H144 O16 P16 S32 -","16","2","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0469","0.0349","","","0.0727","0.0778","","","","","","1.058","","","","has coordinates","177312","2020-10-21","18:00:00",""
"1542671","13.7519","0.0002","14.9993","0.0002","22.6562","0.0003","90","","90","","90","","4673.27","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C224 H160 N16 O48 S8 -","8","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.0575","0.0374","","","0.108","0.1326","","","","","","0.784","","","","has coordinates","177321","2020-10-21","18:00:00",""
"1542680","10.0417","0.0011","18.527","0.002","26.755","0.003","90","","90","","90","","4977.6","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C256 H192 O48 -","16","2","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.1117","0.0973","","","0.1673","0.1734","","","","","","1.312","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1542689","10.487","0.0012","13.0919","0.0016","16.145","0.002","90","","90","","90","","2216.6","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","1","","Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan","Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group.","Organic letters","2016","18","3","448","451","10.1021/acs.orglett.5b03493","","","0.71073","MoKα","","0.1808","0.0642","","","0.1441","0.1926","","","","","","0.978","","","","has coordinates","177338","2020-10-21","18:00:00",""
"1542744","9.1055","0.0002","9.4967","0.0002","30.8939","0.0007","90","","90","","90","","2671.46","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers.","Organic letters","2016","18","6","1470","1473","10.1021/acs.orglett.6b00416","","","1.54178","CuKα","","0.0564","0.0492","","","0.1383","0.1457","","","","","","0.95","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542887","14.6122","0.0015","8.3882","0.0009","20.911","0.002","90","","90","","90","","2563.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-5-methylindoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P.","1-Benzyl-5-methylindoline-2,3-dione","IUCrData","2016","1","3","x160381","","10.1107/S2414314616003813","","","0.71073","MoKα","","0.1172","0.0566","","","0.1275","0.1638","","","","","","1.052","","","","has coordinates,has Fobs","178214","2020-10-21","18:00:00",""
"1542902","16.1115","0.0019","7.704","0.0009","23.873","0.003","90","","90","","90","","2963.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","SU4021","Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B.","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","IUCrData","2016","1","3","x160430","","10.1107/S2414314616004302","","","0.71073","MoKα","","0.0984","0.0501","","","0.1257","0.1547","","","","","","0.974","","","","has coordinates,has Fobs","178351","2020-10-21","18:00:00",""
"1542917","9.3535","0.0004","13.8812","0.0007","16.9106","0.0008","90","","90","","90","","2195.64","0.18","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-calcium","","- C16 H26 Ca N4 O6 S2 -","- C16 H26 Ca N4 O6 S2 -","- C64 H104 Ca4 N16 O24 S8 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0372","0.0295","","","0.081","0.0875","","","","","","1.011","","","","has coordinates,has Fobs","178987","2020-10-21","18:00:00",""
"1542918","9.529","0.0018","14.161","0.003","17.094","0.003","90","","90","","90","","2306.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-strontium","","- C16 H26 N4 O6 S2 Sr -","- C16 H26 N4 O6 S2 Sr -","- C64 H104 N16 O24 S8 Sr4 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0663","0.0322","","","0.0711","0.0845","","","","","","0.996","","","","has coordinates,has Fobs","178988","2020-10-21","18:00:00",""
"1542944","22.905","0.004","7.8263","0.0009","15.601","0.0017","90","","90","","90","","2796.7","0.7","273.77","0.1","273.77","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F5 O -","- C16 H11 F5 O -","- C128 H88 F40 O8 -","8","1","","Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.","Organic letters","2016","18","8","1784","1787","10.1021/acs.orglett.6b00447","","x-ray","0.71","MoKα","","0.201","0.0835","","","0.2207","0.2986","","","","","","0.993","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542966","9.1702","0.0004","18.4101","0.0009","24.3386","0.0011","90","","90","","90","","4108.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DF1","-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H17 Cl N2 O S2 -","- C23 H17 Cl N2 O S2 -","- C184 H136 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","0.71073","MoKα","","0.0833","0.0627","","","0.1646","0.1821","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542996","7.3389","0.0007","15.6186","0.0013","23.534","0.002","90","","90","","90","","2697.5","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F N2 O3 -","- C17 H13 F N2 O3 -","- C136 H104 F8 N16 O24 -","8","1","","Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds.","Organic letters","2016","18","7","1610","1613","10.1021/acs.orglett.6b00464","","","1.54178","CuKα","","0.0353","0.0333","","0.0418","0.035","0.0346","","","","","","1.116","","","","has coordinates","181386","2020-10-21","18:00:00",""
"1543006","8.29","0.003","16.342","0.006","39.875","0.012","90","","90","","90","","5402","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H24 Br2 F2 -","- C34 H24 Br2 F2 -","- C272 H192 Br16 F16 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0961","0.0461","","","0.0869","0.1015","","","","","","1.012","","","","has coordinates","181397","2020-10-21","18:00:00",""
"1543012","19.4188","0.0008","11.5902","0.0004","22.8272","0.0006","90","","90","","90","","5137.7","0.3","293.6","0.1","293.6","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H20 F5 N O2 S2 -","- C29 H20 F5 N O2 S2 -","- C232 H160 F40 N8 O16 S16 -","8","1","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71","MoKα","","0.0982","0.0513","","","0.1082","0.1378","","","","","","1.066","","","","has coordinates","181403","2020-10-21","18:00:00",""
"1543039","15.1498","0.0003","7.4949","0.0002","16.4795","0.0003","90","","90","","90","","1871.19","0.07","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","0.5","BT4003","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","IUCrData","2016","1","4","x160542","","10.1107/S2414314616005423","","","0.71073","MoKα","","0.0772","0.0534","","","0.1502","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","181832","2020-10-21","18:00:00",""
"1543040","9.8513","0.0002","15.0619","0.0002","28.931","0.0004","90","","90","","90","","4292.76","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C192 H160 N32 O16 S8 -","8","1","SJ4017","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R.","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","IUCrData","2016","1","4","x160492","","10.1107/S2414314616004922","","","1.54178","CuKα","","0.0393","0.0339","","","0.0869","0.0909","","","","","","1.023","","","","has coordinates,has Fobs","181833","2020-10-21","18:00:00",""
"1543052","14.1313","0.0002","11.0757","0.0002","9.36191","0.00018","90","","90","","90","","1465.27","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.299","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543099","18.7479","0.0011","9.6392","0.0006","19.3565","0.0011","90","","90","","90","","3498","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-hydroxy-11a-methyl-10-phenyl-3,3a,11,11a-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-b]isoquinoline-1,5(2H)-dione","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu","Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C‒H Activation","Chem. Sci.","2016","","","","","10.1039/C6SC01456A","","","0.71073","MoKα","","0.0543","0.044","","","0.1205","0.1297","","","","","","1.04","","","","has coordinates","182055","2020-10-21","18:00:00",""
"1543125","13.217","0.01","9.831","0.007","13.627","0.009","90","","90","","90","","1771","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4-(hydroxymethyl)-2-oxo-2<i>H</i>-chromene","","- C10 H8 O4 -","- C10 H8 O4 -","- C80 H64 O32 -","8","1","SJ4022","Bai, Jun-Hua; Dong, Jin-Long","7-Hydroxy-4-(hydroxymethyl)coumarin","IUCrData","2016","1","4","x160598","","10.1107/S2414314616005988","","","0.71073","MoKα","","0.0435","0.0333","","","0.0714","0.0781","","","","","","1.012","","","","has coordinates,has Fobs","182158","2020-10-21","18:00:00",""
"1543165","8.2585","0.0002","7.2677","0.0001","44.4667","0.0008","90","","90","","90","","2668.9","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","SU4035","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160633","","10.1107/S2414314616006337","","","0.71073","MoKα","","0.0843","0.0471","","","0.11","0.1268","","","","","","1.036","","","","has coordinates,has Fobs","182305","2020-10-21","18:00:00",""
"1543176","16.5042","0.0004","9.6896","0.0003","18.1221","0.0005","90","","90","","90","","2898.07","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","4","x160661","","10.1107/S2414314616006611","","","0.71073","MoKα","","0.0659","0.0483","","","0.1308","0.1458","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","182316","2020-10-21","18:00:00",""
"1543235","14.2222","0.0006","12.0292","0.0004","19.1416","0.0008","90","","90","","90","","3274.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.","Organic letters","2016","18","10","2379","2382","10.1021/acs.orglett.6b00843","","","0.71073","MoKα","","0.0731","0.045","","","0.1029","0.1184","","","","","","1.019","","","","has coordinates","184957","2020-10-21","18:00:00",""
"1543254","8.6253","0.0019","7.125","0.0016","26.289","0.006","90","","90","","90","","1615.6","0.6","120","2","120.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C64 H24 Cl16 N8 O16 -","8","1","HB4042","Mastrolia, Ronald J.; Golen, James A.; Manke, David R.","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","5","x160695","","10.1107/S2414314616006957","","","1.54178","CuKα","","0.0398","0.0381","","","0.0966","0.0977","","","","","","1.1","","","","has coordinates,has Fobs","182571","2020-10-21","18:00:00",""
"1543272","19.533","0.004","7.5052","0.0015","21.247","0.004","90","","90","","90","","3114.8","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth","Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions","Catal. Sci. Technol.","2016","6","11","3723","","10.1039/C5CY01973G","","","0.71073","MoKα","","0.1231","0.0578","","","0.1398","0.1671","","","","","","0.934","","","","has coordinates","185091","2020-10-21","18:00:00",""
"1543291","19.2882","0.0005","19.378","0.0005","40.5378","0.0009","90","","90","","90","","15151.7","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116 K2 O16 S2 Si4 U -","- C55 H116 K2 O16 S2 Si4 U -","- C440 H928 K16 O128 S16 Si32 U8 -","8","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.109","0.055","","","0.0976","0.1153","","","","","","1.082","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543304","13.6534","0.0003","6.92272","0.00014","18.544","0.0004","90","","90","","90","","1752.75","0.06","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C80 H96 N16 O8 -","8","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0566","0.0524","","","0.1149","0.1174","","","","","","1.135","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543315","17.503","0.0017","10.588","0.001","36.844","0.003","90","","90","","90","","6828","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 B Fe N6 O3 -","- C38 H33 B Fe N6 O3 -","- C304 H264 B8 Fe8 N48 O24 -","8","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0709","0.0472","","","0.1405","0.1576","","","","","","1.045","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543320","12.1163","0.0002","9.7911","0.0002","20.9428","0.0004","90","","90","","90","","2484.48","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H9 Br Cl N3 -","- C13 H9 Br Cl N3 -","- C104 H72 Br8 Cl8 N24 -","8","1","BT4009","Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160763","","10.1107/S241431461600763X","","","1.54178","CuKα","","0.0319","0.0261","","","0.0661","0.0694","","","","","","1.026","","","","has coordinates,has Fobs","182951","2020-10-21","18:00:00",""
"1543324","9.5254","0.0003","12.2658","0.0005","24.0109","0.0007","90","","90","","90","","2805.35","0.17","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C144 H40 F40 S8 -","4","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.048","0.0385","","","0.1152","0.1244","","","","","","1.03","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543366","7.5805","0.0001","17.2484","0.0002","32.295","0.0004","90","","90","","90","","4222.62","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18.5 H22 Cl N O8 -","- C18.5 H22 Cl N O8 -","- C148 H176 Cl8 N8 O64 -","8","1","","Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun","Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes.","Organic letters","2016","18","12","2954","2957","10.1021/acs.orglett.6b01299","","","1.54178","CuKα","","0.0724","0.0704","","","0.1837","0.1849","","","","","","1.051","","","","has coordinates,has disorder","184971","2020-10-21","18:00:00",""
"1543400","9.7259","0.001","12.0868","0.0008","19.6834","0.0016","90","","90","","90","","2313.9","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0874","0.0476","","","0.1039","0.1183","","","","","","0.983","","","","has coordinates","184949","2020-10-21","18:00:00",""
"1543401","13.6505","0.0008","13.7482","0.0007","15.8641","0.0007","90","","90","","90","","2977.2","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0644","0.0474","","","0.1138","0.1266","","","","","","1.009","","","","has coordinates,has disorder","184949","2020-10-21","18:00:00",""
"1543405","15.415","0.002","8.1212","0.001","21.625","0.004","90","","90","","90","","2707.2","0.7","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N -","- C18 H19 N -","- C144 H152 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","0.71073","MoKα","","0.069","0.0449","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","184969","2020-10-21","18:00:00",""
"1543431","9.8848","0.001","9.8277","0.001","20.924","0.002","90","","90","","90","","2032.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 N O2 -","- C2 H9 B10 N O2 -","- C16 H72 B80 N8 O16 -","8","1","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.0981","0.0696","","","0.1837","0.214","","","","","","1.041","","","","has coordinates","186340","2020-10-21","18:00:00",""
"1543520","25.6662","0.0006","25.5792","0.0006","35.0042","0.0008","90","","90","","90","","22981","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H86 N2 Pd Zn4 -","- C57 H86 N2 Pd Zn4 -","- C912 H1376 N32 Pd16 Zn64 -","16","2","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.127","0.0585","","","0.1308","0.1725","","","","","","1.086","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543527","10.7582","0.0003","15.1305","0.0005","20.2832","0.0007","90","","90","","90","","3301.64","0.18","294.59","0.1","294.59","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C160 H120 N8 O16 S8 -","8","1","","Chen, Fei; Meng, Qiang; Han, Shang-Qing; Han, Bing","tert-Butyl Hydroperoxide (TBHP)-Initiated Vicinal Sulfonamination of Alkynes: A Radical Annulation toward 3-Sulfonylindoles.","Organic letters","2016","18","14","3330","3333","10.1021/acs.orglett.6b01427","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.109","0.124","","","","","","1.079","","","","has coordinates","184982","2020-10-21","18:00:00",""
"1543535","11.7526","0.0003","10.4082","0.0003","25.5656","0.0007","90","","90","","90","","3127.27","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","SJ4050","Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","IUCrData","2016","1","6","x161012","","10.1107/S2414314616010129","","","0.71073","MoKα","","0.0772","0.0415","","","0.0962","0.1163","","","","","","1.016","","","","has coordinates,has Fobs","183952","2020-10-21","18:00:00",""
"1543550","12.8543","0.0007","18.2467","0.0009","32.5773","0.0015","90","","90","","90","","7641","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl N O Os -","- C20 H26 Cl N O Os -","- C320 H416 Cl16 N16 O16 Os16 -","16","2","","Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith","Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity","Inorganica Chimica Acta","2014","","","112","120","10.1016/j.ica.2013.05.025","","","0.71073","MoKα","","0.0487","0.0289","","","0.0504","0.0556","","","","","","1.004","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543563","11.2649","0.0002","8.5931","0.0002","34.9591","0.0006","90","","90","","90","","3384.06","0.11","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl5 N4 O2 P3 -","- C8 H8 Cl5 N4 O2 P3 -","- C64 H64 Cl40 N32 O16 P24 -","8","1","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0605","0.0388","","","0.0721","0.0784","","","","","","1.049","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543627","11.021","0.005","9.374","0.004","18.596","0.008","90","","90","","90","","1921.2","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H7 N O5 S -","- C9 H7 N O5 S -","- C72 H56 N8 O40 S8 -","8","1","","Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing","Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.","Nanoscale","2016","8","30","14374","14378","10.1039/c6nr00451b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0728","0.0748","","","","","","1.064","","","","has coordinates","185563","2020-10-21","18:00:00",""
"1543631","15.7112","0.0006","15.4073","0.001","21.2986","0.0012","90","","90","","90","","5155.7","0.5","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H26 -","- C38 H26 -","- C304 H208 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.086","0.0398","","","0.0794","0.0978","","","","","","1.031","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543635","15.7303","0.0014","15.2924","0.0017","23.248","0.003","90","","90","","90","","5592.4","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 -","- C38 H22 F4 -","- C304 H176 F32 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1003","0.0403","","","0.0837","0.1097","","","","","","1.002","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543671","18.4827","0.0012","9.8467","0.0006","22.0681","0.0015","90","","90","","90","","4016.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C24 H18 F N3 O2 -","- C23.9999 H17.9995 F N3 O2 -","- C191.999 H143.996 F8 N24 O16 -","8","1","","Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","IUCrData","2016","1","7","x161124","","10.1107/S241431461601124X","","","0.71075","MoKα","","0.1097","0.0587","","","0.1059","0.1214","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","184488","2020-10-21","18:00:00",""
"1543738","7.49","0.002","18.968","0.006","28.635","0.009","90","","90","","90","","4068","2","110.15","","110.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","8-Butyl-8-(2-methyl-1<i>H</i>-inden-1-yl)-8-silatricyclo[7.4.0.0^2,3^]trideca-1(13),2,4,6,9,11-hexaene","","- C26 H26 Si -","- C26 H26 Si -","- C208 H208 Si8 -","8","1","XU4011","Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","IUCrData","2016","1","7","x161151","","10.1107/S2414314616011512","","","0.71073","MoKα","","0.1154","0.0565","","","0.1305","0.1477","","","","","","0.855","","","","has coordinates,has Fobs","184679","2020-10-21","18:00:00",""
"1543892","7.3899","0.0001","13.5531","0.0002","32.123","0.002","90","","90","","90","","3217.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 O S2 -","- C20 H12 N2 O S2 -","- C160 H96 N16 O8 S16 -","8","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54187","CuKα","","0.1153","0.0684","","","0.1715","0.2246","","","","","","1.095","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543940","12.383","0.006","13.145","0.006","26.51","0.011","90","","90","","90","","4315","3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrabromidozincate","","- C12 H32 Br4 N2 Zn -","- C12 H32 Br4 N2 Zn -","- C96 H256 Br32 N16 Zn8 -","8","1","","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst","Bis(triethylammonium) tetrabromidozincate","IUCrData","2016","1","8","x161317","","10.1107/S2414314616013171","","","0.71073","MoKα","","0.0401","0.0238","","","0.0435","0.0453","","","","","","1.022","","","","has coordinates,has Fobs","185908","2020-10-21","18:00:00",""
"1544030","8.717","0.003","16.325","0.005","21.043","0.007","90","","90","","90","","2994.5","1.7","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-[4-(9,17-Dithia[3.3]metacyclophane)]-1,3-butadiyne","Bis[3,11-dithiatricyclo[11.3.1.1^5,9^]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","","- C36 H30 S4 -","- C36 H30 S4 -","- C144 H120 S16 -","4","0.5","HB4071","Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko","Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","IUCrData","2016","1","9","","","10.1107/S241431461601378X","","","0.71073","MoKα","","0.0568","0.0433","","","0.1125","0.1298","","","","","","1.156","","","","has coordinates,has Fobs","186185","2020-10-21","18:00:00",""
"1544039","19.904","0.002","8.9529","0.0011","24.941","0.002","90","","90","","90","","4444.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 N2 O4 S2 -","- C50 H40 N2 O6 S2 -","- C200 H160 N8 O24 S8 -","4","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1621","0.0763","","","0.1734","0.2315","","","","","","1.153","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544147","13.1126","0.0005","6.8916","0.0003","16.1831","0.0006","90","","90","","90","","1462.41","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","","- C7 H7 F N2 O2 -","- C7 H7 F N2 O2 -","- C56 H56 F8 N16 O16 -","8","1","BT4026","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","IUCrData","2016","1","9","x161446","","10.1107/S2414314616014462","","","0.71073","MoKα","","0.0366","0.0302","","","0.0807","0.085","","","","","","1.037","","","","has coordinates,has Fobs","186613","2020-10-21","18:00:00",""
"1544189","13.636","0.003","10.254","0.002","30.557","0.006","90","","90","","90","","4272.6","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C192 H216 Br8 N16 O16 -","8","1","","Lu, Kui; Ma, Yantao; Gao, Meile; Liu, Yan; Li, Ming; Xu, Chuanming; Zhao, Xia; Yu, Peng","1,4-Addition Ugi Reaction Using Cyclic α,β-Unsaturated Ketone as Substrate.","Organic letters","2016","18","19","5038","5041","10.1021/acs.orglett.6b02493","","","0.71073","MoKα","","0.0729","0.057","","","0.1249","0.1326","","","","","","1.107","","","","has coordinates","204116","2020-10-21","18:00:00",""
"1544237","19.3566","0.0003","15.6297","0.0002","20.726","0.0003","90","","90","","90","","6270.4","0.16","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Dy2 O8 -","- C64 H102 Dy2 O8 -","- C256 H408 Dy8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0385","0.0252","","","0.0539","0.0616","","","","","","1.142","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544238","19.3525","0.0005","15.6285","0.0003","20.6896","0.0005","90","","90","","90","","6257.6","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 O8 Y2 -","- C64 H102 O8 Y2 -","- C256 H408 O32 Y8 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0696","0.0373","","","0.0735","0.0831","","","","","","1.026","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544239","19.3419","0.0003","15.68151","0.00018","20.772","0.0003","90","","90","","90","","6300.36","0.15","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Gd2 O8 -","- C64 H102 Gd2 O8 -","- C256 H408 Gd8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0373","0.0237","","","0.0471","0.0535","","","","","","1.138","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544245","20.1218","0.001","15.6745","0.0007","21.2107","0.0011","90","","90","","90","","6689.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H40 Cl2 N4 O9 Zn2 -","- C25 H40 Cl2 N4 O9 Zn2 -","- C200 H320 Cl16 N32 O72 Zn16 -","8","1","","Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio","Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes","Polym. Chem.","2016","7","42","6475","","10.1039/C6PY01559J","","","0.71073","MoKα","","0.0633","0.0383","","","0.0907","0.1098","","","","","","1.119","","","","has coordinates","188321","2020-10-21","18:00:00",""
"1544308","7.1432","0.0002","13.35","0.0005","29.4794","0.001","90","","90","","90","","2811.21","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Creatinium-4-methylbenzenesulfonate","{Amino[(carboxymethyl)(methyl)amino]methylidene}azanium 4-methylbenzenesulfonate","","- C11 H17 N3 O5 S -","- C11 H17 N3 O5 S -","- C88 H136 N24 O40 S8 -","8","1","HB4086","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Creatinium 4-methylbenzenesulfonate","IUCrData","2016","1","10","x161622","","10.1107/S2414314616016229","","","0.71073","MoKα","","0.0457","0.0381","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates,has Fobs","187408","2020-10-21","18:00:00",""
"1544320","18.5465","0.0008","16.3492","0.0007","28.7869","0.0012","90","","90","","90","","8728.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N10 O17 S4 -","- C30 H54 N10 O17 S4 -","- C240 H432 N80 O136 S32 -","8","1","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0884","0.0551","","","0.1234","0.1428","","","","","","1.04","","","","has coordinates","187967","2020-10-21","18:00:00",""
"1544325","15.072","0.0002","17.0259","0.0003","18.8998","0.0003","90","","90","","90","","4849.96","0.13","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(I){(DO)(DOH)pn}(PMePh2)]","","- C24 H32 Co N4 O2 P -","- C24 H32 Co N4 O2 P -","- C192 H256 Co8 N32 O16 P8 -","8","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.072","0.0475","","","0.1022","0.1105","","","","","","1.018","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544332","10.9179","0.0004","9.6728","0.0004","6.1184","0.0002","90","","90","","90","","646.14","0.04","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Zn2SiO4 IV","","Zn2SiO4 IV","- O4 Si Zn2 -","- O4 Si Zn2 -","- O32 Si8 Zn16 -","8","1","","Liu, X.; Kanzaki, M.; Xue, X.","Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K","Physics and Chemistry of Minerals","2013","40","","467","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","187463","2020-10-21","18:00:00",""
"1544366","16.0575","0.0012","11.4137","0.0009","21.6746","0.0017","90","","90","","90","","3972.4","0.5","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H19 I -","- C26 H19 I -","- C208 H152 I8 -","8","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.","Organic letters","2016","18","21","5756","5759","10.1021/acs.orglett.6b03078","","","0.71073","MoKα","","0.0681","0.0572","","","0.1044","0.1093","","","","","","1.203","","","","has coordinates,has disorder","187968","2020-10-21","18:00:00",""
"1544410","10.0172","0.0002","5.2276","0.0001","5.0598","0.0001","90","","90","","90","","264.961","0.009","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","HfO2 high-pressure phase","","","- Hf O2 -","- Hf O2 -","- Hf8 O16 -","8","1","","Ohtaka, O.; Yamanaka, T.; Kume, S.","Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia","Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi","1991","99","","826","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","187686","2020-10-21","18:00:00",""
"1544422","11.3119","0.0002","7.3309","0.0002","22.1215","0.0005","90","","90","","90","","1834.46","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","0334-107-2","zuckermann30","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0583","0.0423","","","0.0982","0.1082","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544437","11.7947","0.0009","14.2221","0.0011","18.7864","0.0015","90","","90","","90","","3151.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>R</i>-Camphor-4-phenylthiosemicarbazone","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C136 H168 N24 O8 S8 -","8","1","BX4004","de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","IUCrData","2016","1","11","x161730","","10.1107/S2414314616017302","","","0.71073","MoKα","","0.0842","0.0505","","","0.0959","0.1079","","","","","","1.084","","","","has coordinates,has Fobs","187748","2020-10-21","18:00:00",""
"1544440","14.7421","0.0006","17.5573","0.0006","21.4675","0.0009","90","","90","","90","","5556.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C34 H27 N5 O2 -","- C34 H27 N5 O2 -","- C272 H216 N40 O16 -","8","1","SU4077","Seethalakshmi, P.; Palanivel, C.","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","IUCrData","2016","1","11","x161686","","10.1107/S2414314616016862","","","0.71073","MoKα","","0.0764","0.0402","","","0.0767","0.0951","","","","","","0.969","","","","has coordinates,has Fobs","187751","2020-10-21","18:00:00",""
"1544517","14.9782","0.0004","15.0278","0.0003","17.4463","0.0012","90","","90","","90","","3927","0.3","93","2","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ir(pyalk)2Cl2, ""yellow isomer""","cis-Cl, trans-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C33 H42 Cl6 Ir2 N4 O4 -","- C33 H42 Cl6 Ir2 N4 O4 -","- C132 H168 Cl24 Ir8 N16 O16 -","4","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0439","0.0369","","","0.0961","0.1013","","","","","","0.903","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544531","13.978","0.002","13.208","0.0019","22.137","0.003","90","","90","","90","","4087","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","WM4031","Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail","Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K","IUCrData","2016","1","11","x161735","","10.1107/S2414314616017351","","","0.71073","MoKα","","0.0508","0.0338","","","0.0805","0.0884","","","","","","1.057","","","","has coordinates,has Fobs","188344","2020-10-21","18:00:00",""
"1544533","9.257","0.002","17.518","0.004","6.81","0.002","90","","90","","90","","1104.3","0.5","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H O6 P Tl V -","- O6 P Tl V -","- O48 P8 Tl8 V8 -","8","1","","Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P.","Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)","Journal of Solid State Chemistry","1991","93","","514","525","10.1016/0022-4596(91)90326-D","","x-ray","0.71069","MoKα","","","0.048","","","0.048","","","","","","","1.71","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544543","14.8773","0.0002","12.2499","0.0002","19.3288","0.0003","90","","90","","90","","3522.59","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C176 H144 Fe16 O24 -","8","1","HB4093","McAdam, C. John; Simpson, Jim","Ferrocenecarboxylic anhydride: a redetermination","IUCrData","2016","1","11","x161769","","10.1107/S2414314616017697","","","1.54184","CuKα","","0.0313","0.0295","","","0.0879","0.0904","","","","","","0.843","","","","has coordinates,has Fobs","188385","2020-10-21","18:00:00",""
"1544554","6.657","0.002","34.537","0.013","19.811","0.008","90","","90","","90","","4555","3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C25 H32 Si2 -","- C25 H32 Si2 -","- C200 H256 Si16 -","8","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.114","0.0987","","","0.2249","0.2401","","","","","","1.318","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544657","9.0651","0.0011","8.8852","0.001","33.617","0.005","90","","90","","90","","2707.7","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium) tetraiodoplumbate","bis(6-iodohexan-1-aminium) tetraiodoplumbate","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.","Decreasing the electronic confinement in layered perovskites through intercalation.","Chemical science","2017","8","3","1960","1968","10.1039/c6sc02848a","","","0.71073","MoKα","","0.043","0.0315","","","0.0661","0.0706","","","","","","1.123","","","","has coordinates,has disorder","196369","2020-10-21","18:00:00",""
"1544692","11.0177","0.0015","7.8508","0.0011","29.691","0.004","90","","90","","90","","2568.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","1","SJ4063","Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","IUCrData","2016","1","11","x161847","","10.1107/S2414314616018472","","","0.71073","MoKα","","0.0632","0.0426","","","0.131","0.1535","","","","","","1.046","","","","has coordinates,has Fobs","188754","2020-10-21","18:00:00",""
"1544822","8.2","0.0008","12.4012","0.0012","21.182","0.002","90","","90","","90","","2154","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1398","0.0595","","","0.0968","0.1205","","","","","","1.038","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544926","18.8274","0.0007","12.704","0.0005","19.8612","0.0007","90","","90","","90","","4750.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H10 Al F15 O2 -","- C24 H10 Al F15 O2 -","- C192 H80 Al8 F120 O16 -","8","1","","Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.","Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism","Macromolecules","2017","50","1","123","","10.1021/acs.macromol.6b02398","","","0.71073","MoKα","","0.0492","0.0387","","","0.092","0.0981","","","","","","1.062","","","","has coordinates","191362","2020-10-21","18:00:00",""
"1544962","12.422","0.003","14.815","0.004","17.902","0.005","90","","90","","90","","3294.5","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Cheng, Jian; Li, Weipeng; Duan, Yingqian; Cheng, Yixiang; Yu, Shouyun; Zhu, Chengjian","Relay Visible-Light Photoredox Catalysis: Synthesis of Pyrazole Derivatives via Formal [4 + 1] Annulation and Aromatization.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03497","","","0.71073","MoKα","","0.1048","0.0646","","","0.1187","0.1361","","","","","","1.128","","","","has coordinates","189716","2020-10-21","18:00:00",""
"1545102","14.482","0.006","15.42","0.007","27.296","0.009","90","","90","","90","","6096","4","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 O2 Zn -","- C36 H44 N2 O2 Zn -","- C288 H352 N16 O16 Zn8 -","8","1","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","1.54184","CuKα","","0.1172","0.0648","","","0.1466","0.1808","","","","","","1.004","","","","has coordinates","193448","2020-10-21","18:00:00",""
"1545117","7.4379","0.0004","18.736","0.0011","25.4469","0.0014","90","","90","","90","","3546.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C160 H112 Br16 N16 O16 -","8","1","","Dekar, Souad; Bendia, Sabrina; Ouari, Kamel","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","IUCrData","2017","2","1","x170077","","10.1107/S2414314617000773","","","0.71073","MoKα","","0.0597","0.0365","","","0.0665","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","190802","2020-10-21","18:00:00",""
"1545185","8.298","0.0006","22.1664","0.0017","28.917","0.002","90","","90","","90","","5318.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Np Si3 -","- C24 H39 Np Si3 -","- C192 H312 Np8 Si24 -","8","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0866","0.0393","","","0.049","0.0567","","","","","","1.027","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545206","16.9672","0.0019","16.6921","0.0019","21.14","0.003","90","","90","","90","","5987.2","1.3","173.15","","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N7 O9 S -","- C28 H33 N7 O9 S -","- C224 H264 N56 O72 S8 -","8","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0643","0.064","","","0.1531","0.1533","","","","","","1.285","","","","has coordinates","191298","2020-10-21","18:00:00",""
"1545266","10.393","0.0005","22.3163","0.001","39.5129","0.0017","90","","90","","90","","9164.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IodoPlumboleRuthenocene","","- C44 H69 I Pb Ru Si2 -","- C44 H69 I Pb Ru Si2 -","- C352 H552 I8 Pb8 Ru8 Si16 -","8","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.069","0.0471","","","0.0918","0.0987","","","","","","1.077","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545272","15.3952","0.0008","13.019","0.0006","38.748","0.002","90","","90","","90","","7766.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Br4 Fe N2 -","- C11 H23 Br4 Fe N2 -","- C176 H368 Br64 Fe16 N32 -","16","2","","Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi","Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation.","Organic letters","2017","19","5","1132","1135","10.1021/acs.orglett.7b00148","","","0.71073","MoKα","","0.1576","0.0661","","","0.137","0.1629","","","","","","0.89","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545406","4.8748","0.0008","17.909","0.003","23.571","0.004","90","","90","","90","","2057.8","0.6","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C88 H80 N16 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.051","0.0385","","","0.0844","0.0903","","","","","","1.106","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545411","6.92797","0.00019","14.3084","0.0003","37.5013","0.0019","90","","90","","90","","3717.4","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0592","0.0485","","","0.1263","0.1344","","","","","","1.1","","","","has coordinates,has disorder","193206","2020-10-21","18:00:00",""
"1545437","7.7792","0.001","11.9136","0.0013","25.989","0.003","90","","90","","90","","2408.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O3 -","- C12 H12 Br N O3 -","- C96 H96 Br8 N8 O24 -","8","1","","Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min","Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds.","Organic letters","2017","19","5","1124","1127","10.1021/acs.orglett.7b00040","","x-ray","0.71073","MoKα","","0.1852","0.1015","","","0.243","0.3221","","","","","","0.974","","","","has coordinates","193359","2020-10-21","18:00:00",""
"1545454","8.5547","0.0008","20.782","0.002","21.537","0.002","90","","90","","90","","3828.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21.87 H14.18 Br N O S -","- C21.87 H14.18 Br N O S -","- C174.96 H113.44 Br8 N8 O8 S8 -","8","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","","0.71073","MoKα","","0.0936","0.0572","","","0.1512","0.1724","","","","","","1.043","","","","has coordinates,has disorder","193373","2020-10-21","18:00:00",""
"1545495","7.3148","0.0006","8.403","0.0006","27.67","0.002","90","","90","","90","","1700.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HB4112","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","2","x170097","","10.1107/S2414314617000979","","","1.54178","CuKα","","0.0298","0.0292","","","0.0755","0.0761","","","","","","1.042","","","","has coordinates,has Fobs","193957","2020-10-21","18:00:00",""
"1545510","9.2267","0.0003","9.9695","0.0004","28.6206","0.001","90","","90","","90","","2632.68","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","1","","Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling of N-Mesylamides by N‒C Cleavage: Electronic Effect of the Mesyl Group","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00373","","","1.54178","CuKα","","0.0288","0.0287","","","0.0756","0.0756","","","","","","1.089","","","","has coordinates","194013","2020-10-21","18:00:00",""
"1545536","34.859","0.007","29.286","0.006","51.432","0.01","90","","90","","90","","52506","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C1644 H1084 Ca50 N256 O660 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.8856","synchrotron","","0.1603","0.1568","","","0.5004","0.5118","","","","","","2.893","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545546","14.0154","0.0006","12.5288","0.0005","16.4104","0.0006","90","","90","","90","","2881.6","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 N4 O Pb -","- C12 H10 Cl2 N4 O Pb -","- C96 H80 Cl16 N32 O8 Pb8 -","8","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.1219","0.0657","","","0.0898","0.1021","","","","","","1.108","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545601","16.0287","0.0005","18.8615","0.0004","22.0793","0.0005","90","","90","","90","","6675.1","0.3","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Cl6 N7 Ni O2 Re -","- C23 H28 Cl6 N7 Ni O2 Re -","- C184 H224 Cl48 N56 Ni8 O16 Re8 -","8","1","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0667","0.0504","","","0.072","0.0764","","","","","","1.208","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545665","8.2331","0.0006","13.1144","0.001","25.5836","0.0019","90","","90","","90","","2762.3","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","o-tol","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","1","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.1237","0.0758","","","0.2059","0.2586","","","","","","1.088","","","","has coordinates","194645","2020-10-21","18:00:00",""
"1545689","20.444","0.001","18.957","0.001","20.8205","0.0011","90","","90","","90","","8069.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H53 B F4 Ir N5 -","- C42 H53 B F4 Ir N5 -","- C336 H424 B8 F32 Ir8 N40 -","8","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0571","0.031","","","0.0676","0.0789","","","","","","1.03","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545701","19.215","0.0005","17.7981","0.0005","19.7244","0.0006","90","","90","","90","","6745.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","jw116b","","","- C28 H26 Co4 F6 N4 O12 -","- C28 H26 Co4 F6 N4 O12 -","- C224 H208 Co32 F48 N32 O96 -","8","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0731","0.0482","","","0.1156","0.1292","","","","","","1.048","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545719","8.759","0.004","15.074","0.007","21.337","0.01","90","","90","","90","","2817","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.0962","0.0508","","","0.1392","0.1809","","","","","","0.984","","","","has coordinates","197494","2020-10-21","18:00:00",""
"1545752","10.075","0.001","18.506","0.003","16.06","0.002","90","","90","","90","","2994.4","0.7","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C4 H14 F2 Ga3 N2 O12 P3 -","- C4 F2 Ga3 N2 O12 P3 -","- C32 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.033","","","0.033","","","","","","","","","","","has coordinates","195507","2020-10-21","18:00:00",""
"1545753","10.156","0.003","18.672","0.009","16.367","0.007","90","","90","","90","","3104","2","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C5 H16 F2 Ga3 N2 O12 P3 -","- C5 F2 Ga3 N2 O12 P3 -","- C40 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","195508","2020-10-21","18:00:00",""
"1545801","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0438","0.0277","","","0.0605","0.066","","","","","","1.137","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545990","17.819","0.003","17.457","0.003","34.337","0.005","90","","90","","90","","10681","3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C61 H71 N3 O10 -","- C61 H71 N3 O10 -","- C488 H568 N24 O80 -","8","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.1513","0.1148","","","0.2232","0.2406","","","","","","1.166","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1546115","10.9323","0.0007","14.5698","0.001","21.091","0.0014","90","","90","","90","","3359.4","0.4","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0326","0.0238","","","0.0839","0.0904","","","","","","1.106","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546116","10.932","0.002","14.57","0.002","21.091","0.003","90","","90","","90","","3359.4","0.9","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.204","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546124","15.862","0.002","15.219","0.002","18.723","0.003","90","","90","","90","","4519.8","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0756","0.052","","","0.1406","0.1577","","","","","","1.043","","","","has coordinates","198425","2020-10-21","18:00:00",""
"1546133","12.0727","0.0015","12.564","0.0016","26.304","0.003","90","","90","","90","","3989.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 B10 N2 -","- C18 H22 B10 N2 -","- C144 H176 B80 N16 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0627","0.0513","","","0.1373","0.1484","","","","","","1.041","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546148","14.2637","0.0005","17.4799","0.0006","17.7014","0.0006","90","","90","","90","","4413.5","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O6 Re -","- C22 H26 Mn N2 O6 Re -","- C176 H208 Mn8 N16 O48 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0227","0.0196","","","0.0468","0.0477","","","","","","1.161","","","","has coordinates","197092","2020-10-21","18:00:00",""
"1546154","15.9799","0.0004","15.253","0.0004","17.7327","0.0005","90","","90","","90","","4322.2","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Mn N3 O2 S -","- C23 H26 Mn N3 O2 S -","- C184 H208 Mn8 N24 O16 S8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0397","0.0296","","","0.074","0.0793","","","","","","1.034","","","","has coordinates","197098","2020-10-21","18:00:00",""
"1546157","14.7377","0.0007","16.7073","0.0008","18.4223","0.0009","90","","90","","90","","4536.1","0.4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O8 Re -","- C22 H26 Mn N2 O8 Re -","- C176 H208 Mn8 N16 O64 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0565","0.0531","","","0.1031","0.1043","","","","","","1.329","","","","has coordinates","197101","2020-10-21","18:00:00",""
"1546315","15.766","0.002","11.5833","0.0016","17.044","0.002","90","","90","","90","","3112.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0733","0.0476","","","0.1132","0.1274","","","","","","1.027","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546316","7.367","0.005","19.893","0.015","20.426","0.015","90","","90","","90","","2993","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0829","0.0656","","","0.1951","0.214","","","","","","1.078","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546390","10.0487","0.0006","18.9832","0.0012","22.2949","0.0013","90","","90","","90","","4252.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 B2 F8 K2 N8 -","- C16 B2 F8 K2 N8 -","- C128 B16 F64 K16 N64 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0642","0.0575","","","0.147","0.1509","","","","","","1.134","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546407","10.5047","0.0008","14.9725","0.0011","27.75","0.002","90","","90","","90","","4364.6","0.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C192 H96 Br32 N16 -","8","1","","Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan","N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00971","","","0.71073","MoKα","","0.0309","0.0207","","","0.0475","0.0486","","","","","","0.919","","","","has coordinates","198177","2020-10-21","18:00:00",""
"1546427","9.1341","0.0006","13.5068","0.0009","16.573","0.0011","90","","90","","90","","2044.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Mn N4 O6 S2 -","- C16 H26 Mn N4 O6 S2 -","- C64 H104 Mn4 N16 O24 S8 -","4","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0355","0.0266","","","0.0598","0.0637","","","","","","1.033","","","","has coordinates","198234","2020-10-21","18:00:00",""
"1546428","11.8868","0.0003","13.8324","0.0003","29.9847","0.0008","90","","90","","90","","4930.2","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Mn N4 O9 S2 -","- C16 H32 Mn N4 O9 S2 -","- C128 H256 Mn8 N32 O72 S16 -","8","1","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0452","0.0302","","","0.0698","0.076","","","","","","1.012","","","","has coordinates","198235","2020-10-21","18:00:00",""
"1546432","6.3646","0.0007","17.4661","0.0018","27.475","0.003","90","","90","","90","","3054.3","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V.","Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01556","","","0.71073","MoKα","","0.0755","0.0503","","","0.1046","0.1152","","","","","","1.015","","","","has coordinates","198267","2020-10-21","18:00:00",""
"1546454","16.1393","0.0003","7.9763","0.0002","34.8942","0.0007","90","","90","","90","","4492","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B N4 -","- C24 H27 B N4 -","- C192 H216 B8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0549","0.0514","","","0.1465","0.1501","","","","","","1.057","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546464","11.8766","0.0006","11.7308","0.0006","23.6382","0.0013","90","","90","","90","","3293.3","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H27 F2 N O Si -","- C13 H27 F2 N O Si -","- C104 H216 F16 N8 O8 Si8 -","8","1","","Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D.","Radical Silyldifluoromethylation of Electron-Deficient Alkenes.","Organic letters","2017","19","12","3215","3218","10.1021/acs.orglett.7b01334","","","0.71073","MoKα","","0.0537","0.0396","","","0.092","0.1025","","","","","","1.072","","","","has coordinates","198404","2020-10-21","18:00:00",""
"1546517","13.8754","0.0011","14.2531","0.0012","17.5717","0.0014","90","","90","","90","","3475.1","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DBXS","","","- C17 H19 B F6 S -","- C17 H19 B F6 S -","- C136 H152 B8 F48 S8 -","8","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0306","0.0279","","","0.0694","0.072","","","","","","0.98","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546519","10.159","0.004","9.48","0.004","29.456","0.01","90","","90","","90","","2836.8","1.9","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O3 -","- C17 H11 F3 O3 -","- C136 H88 F24 O24 -","8","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.1075","0.0635","","","0.1258","0.1409","","","","","","1.081","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546528","20.6097","0.0011","8.9853","0.0004","21.9169","0.0008","90","","90","","90","","4058.7","0.3","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C168 H184 N8 O40 S8 -","8","1","","Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing","Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01860","","x-ray","0.71073","MoKα","","0.1231","0.0633","","","0.1358","0.1752","","","","","","1.044","","","","has coordinates","198695","2020-10-21","18:00:00",""
"1546601","12.864","0.0019","14.501","0.002","16.567","0.003","90","","90","","90","","3090.4","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0477","0.0345","","","0.0786","0.085","","","","","","1.043","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546626","7.56","0.004","20.153","0.011","23.743","0.012","90","","90","","90","","3617","3","93","2","93","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.0846","0.0775","","","0.1591","0.1627","","","","","","1.3","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546658","13.9866","0.0006","7.9972","0.0004","23.122","0.001","90","","90","","90","","2586.3","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone","","- C12 H13 Cl2 N O2 -","- C12 H13 Cl2 N O2 -","- C96 H104 Cl16 N8 O16 -","8","1","SU4151","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G.","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis","IUCrData","2017","2","6","x170813","","10.1107/S2414314617008136","","","0.71073","MoKα","","0.0979","0.0483","","","0.1258","0.1638","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","199252","2020-10-21","18:00:00",""
"1546673","9.2518","0.0002","10.3432","0.0002","38.5674","0.0007","90","","90","","90","","3690.64","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H14 Cl N O2 S -","- C22 H14 Cl N O2 S -","- C176 H112 Cl8 N8 O16 S8 -","8","1","SJ4110","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2017","2","5","x170677","","10.1107/S2414314617006770","","","0.71073","MoKα","","0.0742","0.047","","","0.1117","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","199267","2020-10-21","18:00:00",""
"1546711","7.37174","0.00013","12.5726","0.0003","26.4454","0.0005","90","","90","","90","","2451.01","0.09","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","","- C11 H9 F3 N2 O3 S -","- C11 H9 F3 N2 O3 S -","- C88 H72 F24 N16 O24 S8 -","8","1","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","IUCrData","2017","2","5","x170689","","10.1107/S2414314617006897","","","0.71075","MoKα","","","0.0284","","","","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","199307","2020-10-21","18:00:00",""
"1546759","17.9286","0.0009","17.5371","0.0009","24.5618","0.0013","90","","90","","90","","7722.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 B Li N O3 -","- C40 H63 B Li N O3 -","- C320 H504 B8 Li8 N8 O24 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0818","0.0531","","","0.1133","0.1275","","","","","","1.017","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546761","15.5756","0.001","16.3913","0.001","18.0729","0.0011","90","","90","","90","","4614.1","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H39 B N2 -","- C25 H39 B N2 -","- C200 H312 B8 N16 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0887","0.0466","","","0.1073","0.1295","","","","","","1.02","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546762","9.411","0.003","14.986","0.004","19.855","0.006","90","","90","","90","","2800.2","1.4","100.2","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-2-Nitro-N-(1-oxidotetrahydro-2H-thiopyran-4-yl)benzenesulfonamide","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C88 H112 N16 O40 S16 -","8","1","","Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji","Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives","Organic Process Research & Development","2017","21","7","1034","","10.1021/acs.oprd.7b00147","","","1.5419","CuKα","","0.0439","0.0328","","","0.0834","0.1009","","","","","","0.177","","","","has coordinates","199561","2020-10-21","18:00:00",""
"1546808","16.7707","0.0016","28.016","0.003","29.924","0.003","90","","90","","90","","14060","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H58 B2 F8 Fe4 N14 O16 -","- C68 H58 B2 F8 Fe4 N14 O16 -","- C544 H464 B16 F64 Fe32 N112 O128 -","8","1","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1541","0.0733","","","0.1483","0.1767","","","","","","1.042","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546899","16.9924","0.0006","16.5973","0.0005","17.5163","0.0006","90","","90","","90","","4940.1","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)diphenyl(phenylethynyl)borate","","- C29 H36 B P -","- C29 H36 B P -","- C232 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0386","0.0344","","","0.0918","0.095","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546904","17.3762","0.0006","15.4227","0.0005","17.5727","0.0006","90","","90","","90","","4709.3","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)triphenylborate","","- C27 H36 B P -","- C27 H36 B P -","- C216 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0454","0.0403","","","0.1035","0.1076","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546910","21.8782","0.0004","22.7145","0.0004","39.349","0.003","90","","90","","90","","19554.6","1.6","200","","200","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C704 H656 Ag8 Cl24 F168 O40 P24 Pd24 S24 Sb16 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.0876","0.0665","","","0.1604","0.192","","","","","","1.16","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546993","10.697","0.007","9.083","0.006","35.93","0.02","90","","90","","90","","3491","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0551","0.0401","","","0.0956","0.1051","","","","","","1.024","","","","has coordinates","202785","2020-10-21","18:00:00",""
"1547033","14.4398","0.0005","8.7058","0.0003","23.2532","0.0007","90","","90","","90","","2923.16","0.17","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 O4 -","- C16 H21 O4 -","- C128 H168 O32 -","8","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","1.54178","CuKα","","0.0413","0.0391","","","0.1191","0.1223","","","","","","0.984","","","","has coordinates","200542","2020-10-21","18:00:00",""
"1547161","14.514","0.004","10.865","0.003","44.055","0.011","90","","90","","90","","6947","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C320 H320 N32 O32 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.6525","","","0.0465","0.0427","","","0.1188","0.1257","","","","","","1.1","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547162","12.6363","0.0013","23.284","0.002","25.125","0.003","90","","90","","90","","7392.4","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C320 H416 O64 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.1343","0.0843","","","0.225","0.2622","","","","","","1.04","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547187","7.5481","0.0006","21.3823","0.0013","27.862","0.002","90","","90","","90","","4496.8","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl2 N4 O4 -","- C22 H20 Cl2 N4 O4 -","- C176 H160 Cl16 N32 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.067","","","","0.1965","","","","","","0.998","","","","has coordinates","200927","2020-10-21","18:00:00",""
"1547195","11.3435","0.0013","12.4428","0.0013","18.028","0.002","90","","90","","90","","2544.6","0.5","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0752","0.0522","","","0.1295","0.1429","","","","","","1.045","","","","has coordinates","202775","2020-10-21","18:00:00",""
"1547213","12.7424","0.0009","17.4112","0.0007","21.0833","0.001","90","","90","","90","","4677.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N12 O12 -","- C16 H20 N12 O12 -","- C128 H160 N96 O96 -","8","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.1339","0.0801","","","0.1233","0.1386","","","","","","1.164","","","","has coordinates","200978","2020-10-21","18:00:00",""
"1547236","13.6337","0.0007","14.573","0.0007","17.0961","0.0009","90","","90","","90","","3396.7","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Co F N O2 -","- C18 H18 Cl Co F N O2 -","- C144 H144 Cl8 Co8 F8 N8 O16 -","8","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0731","0.0531","","","0.134","0.1469","","","","","","1.037","","","","has coordinates","202786","2020-10-21","18:00:00",""
"1547238","15.2176","0.0005","8.3864","0.0003","32.8506","0.0011","90","","90","","90","","4192.4","0.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 S2 -","- C29 H16 S2 -","- C232 H128 S16 -","8","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.1155","0.0779","","","0.195","0.239","","","","","","1.127","","","","has coordinates","202789","2020-10-21","18:00:00",""
"1547242","12.4248","0.0013","20.3497","0.0015","20.8058","0.0015","90","","90","","90","","5260.6","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 F6 N3 P2 Ru -","- C23 H33 F6 N3 P2 Ru -","- C184 H264 F48 N24 P16 Ru8 -","8","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0491","0.0307","","","0.0639","0.072","","","","","","1.02","","","","has coordinates","201053","2020-10-21","18:00:00",""
"1547283","5.6343","0.0006","11.2778","0.0012","15.9493","0.0016","90","","90","","90","","1013.46","0.18","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","7.3694","2.0321","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547284","5.6351","0.0005","11.3134","0.0009","15.9647","0.0011","90","","90","","90","","1017.78","0.14","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.4958","1.8298","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547285","5.6443","0.0005","11.3472","0.001","15.9872","0.0011","90","","90","","90","","1023.93","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.9791","1.7595","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547286","5.6581","0.0006","11.3735","0.0013","16.0267","0.0015","90","","90","","90","","1031.36","0.19","600","","600","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.0249","1.7096","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547287","5.6848","0.0012","11.3764","0.0019","16.09","0.003","90","","90","","90","","1040.6","0.3","700","","700","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.5117","1.7788","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547429","9.0785","0.0002","11.5265","0.0003","22.8581","0.0006","90","","90","","90","","2391.95","0.1","149.4","0.9","149.4","0.9","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.043","0.0362","","","0.0964","0.1012","","","","","","1.096","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547430","9.0963","0.0002","11.5574","0.0003","22.8612","0.0007","90","","90","","90","","2403.39","0.11","174.9","0.3","174.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0374","","","0.0962","0.1021","","","","","","1.056","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547431","9.0885","0.0006","11.5482","0.0007","22.7898","0.0012","90","","90","","90","","2391.9","0.2","184.9","0.1","184.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0534","0.0399","","","0.0932","0.1003","","","","","","1.064","","","","has coordinates","201433","2020-10-21","18:00:00",""
"1547432","9.0907","0.0003","11.5779","0.0004","22.8104","0.0007","90","","90","","90","","2400.82","0.14","199","0.1","199","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0373","","","0.0954","0.1017","","","","","","1.029","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547433","9.1074","0.0003","11.6193","0.0005","22.8456","0.0009","90","","90","","90","","2417.56","0.16","229.9","0.1","229.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0635","0.0435","","","0.1001","0.1113","","","","","","1.08","","","","has coordinates","201435","2020-10-21","18:00:00",""
"1547434","9.1228","0.0004","11.6522","0.0006","22.8488","0.001","90","","90","","90","","2428.8","0.2","260","0.1","260","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0661","0.0449","","","0.1015","0.1148","","","","","","1.088","","","","has coordinates","201436","2020-10-21","18:00:00",""
"1547435","9.1349","0.0003","11.6868","0.0004","22.866","0.0008","90","","90","","90","","2441.12","0.14","298","0.1","298","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0597","0.043","","","0.1031","0.1136","","","","","","1.016","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547436","9.0823","0.0003","11.5422","0.0002","22.8439","0.0003","90","","90","","90","","2394.72","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0614","0.044","","","0.1026","0.1132","","","","","","1.001","","","","has coordinates","201438","2020-10-21","18:00:00",""
"1547437","9.0881","0.0003","11.5538","0.0002","22.8478","0.0003","90","","90","","90","","2399.07","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.062","0.0441","","","0.1028","0.1149","","","","","","1","","","","has coordinates","201439","2020-10-21","18:00:00",""
"1547438","9.0992","0.0004","11.5635","0.0003","22.8525","0.0006","90","","90","","90","","2404.51","0.14","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0882","0.0586","","","0.1357","0.1542","","","","","","1.09","","","","has coordinates","201440","2020-10-21","18:00:00",""
"1547439","9.0972","0.0002","11.5751","0.0002","22.8531","0.0003","90","","90","","90","","2406.45","0.07","180","","180","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0653","0.0458","","","0.1047","0.1175","","","","","","0.992","","","","has coordinates","201441","2020-10-21","18:00:00",""
"1547440","9.1048","0.0003","11.5802","0.0003","22.8576","0.0006","90","","90","","90","","2410","0.12","185","","185","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0902","0.0578","","","0.1234","0.1463","","","","","","0.979","","","","has coordinates","201442","2020-10-21","18:00:00",""
"1547441","9.1064","0.0003","11.5845","0.0003","22.8569","0.0006","90","","90","","90","","2411.25","0.12","190","","190","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0879","0.0567","","","0.1242","0.1458","","","","","","0.985","","","","has coordinates","201443","2020-10-21","18:00:00",""
"1547442","9.107","0.0003","11.5902","0.0003","22.8593","0.0006","90","","90","","90","","2412.84","0.12","195","","195","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0932","0.0613","","","0.1359","0.1578","","","","","","1.042","","","","has coordinates","201444","2020-10-21","18:00:00",""
"1547443","9.1066","0.0002","11.5983","0.0002","22.8627","0.0003","90","","90","","90","","2414.78","0.07","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0673","0.0478","","","0.1107","0.1231","","","","","","1.001","","","","has coordinates","201445","2020-10-21","18:00:00",""
"1547444","9.1158","0.0002","11.6222","0.0002","22.8715","0.0003","90","","90","","90","","2423.14","0.07","220","","220","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0691","0.0459","","","0.1065","0.1211","","","","","","0.974","","","","has coordinates","201446","2020-10-21","18:00:00",""
"1547445","9.12","0.0003","11.6339","0.0003","22.8697","0.0004","90","","90","","90","","2426.5","0.11","230","","230","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0842","0.0545","","","0.1199","0.14","","","","","","0.992","","","","has coordinates","201447","2020-10-21","18:00:00",""
"1547446","9.1237","0.0002","11.6442","0.0002","22.8738","0.0004","90","","90","","90","","2430.07","0.08","240","","240","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.072","0.0482","","","0.1087","0.1244","","","","","","0.971","","","","has coordinates","201448","2020-10-21","18:00:00",""
"1547447","9.128","0.0003","11.6579","0.0003","22.8759","0.0005","90","","90","","90","","2434.3","0.11","250","","250","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0868","0.0538","","","0.118","0.1449","","","","","","0.996","","","","has coordinates","201449","2020-10-21","18:00:00",""
"1547448","9.1311","0.0003","11.6667","0.0002","22.88","0.0004","90","","90","","90","","2437.4","0.1","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0767","0.0506","","","0.114","0.1323","","","","","","0.986","","","","has coordinates","201450","2020-10-21","18:00:00",""
"1547449","9.1357","0.0003","11.6782","0.0003","22.8834","0.0006","90","","90","","90","","2441.4","0.12","270","","270","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0942","0.0586","","","0.1357","0.1591","","","","","","1.038","","","","has coordinates","201451","2020-10-21","18:00:00",""
"1547450","9.1405","0.0003","11.6923","0.0002","22.8838","0.0004","90","","90","","90","","2445.67","0.1","280","","280","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0907","0.0605","","","0.1339","0.1558","","","","","","1.04","","","","has coordinates","201452","2020-10-21","18:00:00",""
"1547451","9.1415","0.0004","11.7002","0.0004","22.8837","0.0006","90","","90","","90","","2447.58","0.15","290","","290","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.1078","0.068","","","0.1474","0.1753","","","","","","1.064","","","","has coordinates","201453","2020-10-21","18:00:00",""
"1547452","9.1445","0.0003","11.713","0.0003","22.8862","0.0005","90","","90","","90","","2451.33","0.12","300","","300","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0971","0.0635","","","0.1419","0.1646","","","","","","1.037","","","","has coordinates","201454","2020-10-21","18:00:00",""
"1547462","19.4045","0.0005","7.14236","0.00016","30.4827","0.0007","90","","90","","90","","4224.72","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C232 H176 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0536","0.0437","","","0.1161","0.1227","","","","","","1.05","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547478","14.24","0.007","14.263","0.007","14.821","0.007","90","","90","","90","","3010","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Fe2 N5 O3 S2 -","- C9 H18 Fe2 N5 O3 S2 -","- C72 H144 Fe16 N40 O24 S16 -","8","1","","Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.","Redox active iron nitrosyl units in proton reduction electrocatalysis","Nature Communications","2014","5","","3684","","10.1038/ncomms4684","","","0.71073","MoKα","","0.0405","0.0295","","","0.0671","0.0729","","","","","","1.026","","","","has coordinates","201508","2020-10-21","18:00:00",""
"1547511","17.684","0.004","17.465","0.004","33.978","0.007","90","","90","","90","","10494","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 F3 N3 O3 S -","- C23 H41 F3 N3 O3 S -","- C368 H656 F48 N48 O48 S16 -","16","2","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.1783","0.0911","","","0.2157","0.2621","","","","","","0.886","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547516","20.025","0.004","19.663","0.004","24.499","0.005","90","","90","","90","","9647","3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Dy Fe2 N4 Si4 -","- C44 H76 Dy Fe2 N4 Si4 -","- C352 H608 Dy8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.065","0.0376","","","0.0753","0.0947","","","","","","1.125","","","","has coordinates,has disorder","201572","2020-10-21","18:00:00",""
"1547517","19.7942","0.0016","19.8223","0.0016","24.603","0.002","90","","90","","90","","9653.4","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Er Fe2 N4 Si4 -","- C44 H76 Er Fe2 N4 Si4 -","- C352 H608 Er8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.1587","0.0742","","","0.1491","0.1847","","","","","","0.924","","","","has coordinates","201572","2020-10-21","18:00:00",""
"1547524","25.054","0.005","17.452","0.004","26.296","0.006","90","","90","","90","","11498","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8 -","- C22.784 H30.48 Ag4 N1.696 Na6.964 Ni2 O35.696 S8 -","- C182.272 H243.84 Ag32 N13.568 Na55.712 Ni16 O285.568 S64 -","8","1","","Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman","Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization.","The journal of physical chemistry. A","2017","121","28","5324","5331","10.1021/acs.jpca.7b04669","","","0.71073","MoKα","","0.1238","0.102","","","0.2274","0.2384","","","","","","1.147","","","","has coordinates,has disorder","201658","2020-10-21","18:00:00",""
"1547526","13.703","0.001","22.2261","0.0015","23.066","0.0016","90","","90","","90","","7025.1","0.9","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F12 N3 O P2 -","- C35 H31 F12 N3 O P2 -","- C280 H248 F96 N24 O8 P16 -","8","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.","The journal of physical chemistry. A","2017","121","31","5842","5855","10.1021/acs.jpca.7b06057","","","0.71073","MoKα","","0.0892","0.0623","","","0.1546","0.1753","","","","","","1.029","","","","has coordinates,has disorder","201660","2020-10-21","18:00:00",""
"1547678","11.8722","0.0004","8.4475","0.0004","26.7964","0.001","90","","90","","90","","2687.42","0.19","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing","Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines.","Organic letters","2017","19","21","5896","5899","10.1021/acs.orglett.7b02885","","","0.71073","MoKα","","0.1499","0.0807","","","0.1713","0.2156","","","","","","1.049","","","","has coordinates","202852","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547766","11.3088","0.0007","13.4942","0.0007","27.4368","0.0013","90","","90","","90","","4186.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl0 N2 O5 S -","- C24 H20 N2 O5 S -","- C192 H160 N16 O40 S8 -","8","1","","Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids.","Organic letters","2017","19","21","5764","5767","10.1021/acs.orglett.7b02697","","x-ray","0.71073","MoKα","","0.089","0.0618","","","0.144","0.1649","","","","","","1.053","","","","has coordinates","202869","2020-10-21","18:00:00",""
"1547801","12.931","0.005","10.477","0.004","18.151","0.007","90","","90","","90","","2459.1","1.6","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I O2 Se -","- C11 H11 I O2 Se -","- C88 H88 I8 O16 Se8 -","8","1","","Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C.","Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate.","Organic letters","2017","19","21","5748","5751","10.1021/acs.orglett.7b02571","","","0.71073","MoKα","","0.0654","0.0452","","","0.136","0.1517","","","","","","1.038","","","","has coordinates","202868","2020-10-21","18:00:00",""
"1547867","36.2342","0.0007","11.182","0.0002","5.5197","0.0001","90","","90","","90","","2236.42","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ca(Mg0.631Fe0.369)B2O5","","kurchatovite","- B2 Ca Fe0.369 Mg0.631 O5 -","- B2 Ca Fe0.363333 Mg0.636667 O5 -","- B48 Ca24 Fe8.72 Mg15.28 O120 -","24","3","","Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I.","Kurchatovite from the Fuka mine, Okayama Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2017","112","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202519","2020-10-21","18:00:00",""
"1547907","10.6429","0.0012","17.14","0.002","19.551","0.002","90","","90","","90","","3566.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","68869-190","gene913","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C176 H128 Cl8 F24 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0636","0.0423","","","0.0934","0.1049","","","","","","1.038","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1548053","8.2997","0.0003","33.2041","0.0004","12.4646","0.0011","90","","90","","90","","3435","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N -","- C26 H17 N -","- C208 H136 N8 -","8","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0368","0.0336","","","0.1049","0.1091","","","","","","0.929","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548086","13.8074","0.0007","23.2204","0.0019","26.3621","0.0015","90","","90","","90","","8452","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0636","0.051","","","0.1286","0.1372","","","","","","1.059","","","","has coordinates","203270","2020-10-21","18:00:00",""
"1548087","13.7527","0.0003","23.1023","0.0005","26.7606","0.0004","90","","90","","90","","8502.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 N10 Rb2 Si6 U2 -","- C66 H150 N10 Rb2 Si6 U2 -","- C264 H600 N40 Rb8 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0364","0.0314","","","0.0805","0.0824","","","","","","0.98","","","","has coordinates","203271","2020-10-21","18:00:00",""
"1548250","13.17","0.005","34.623","0.014","36.534","0.014","90","","90","","90","","16659","11","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50.75 H48.5 Cl0.75 N -","- C50.75 H48.5 Cl0.75 N -","- C812 H776 Cl12 N16 -","16","2","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.1835","0.0917","","","0.2105","0.2952","","","","","","1.08","","","","has coordinates","203683","2020-10-21","18:00:00",""
"1548448","11.5577","0.0005","16.8408","0.0007","24.6521","0.0009","90","","90","","90","","4798.3","0.3","","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C200 H320 O40 Si8 -","8","1","","Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin","Total synthesis of atropurpuran","Nature Communications","2016","7","","12183","","10.1038/ncomms12183","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","204215","2020-10-21","18:00:00",""
"1548531","16.9858","0.001","18.4496","0.001","18.8816","0.0011","90","","90","","90","","5917.1","0.6","100","2","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H46 Cl4 Eu N8 O Zn -","- C19 H46 Cl4 Eu N8 O Zn -","- C152 H368 Cl32 Eu8 N64 O8 Zn8 -","8","1","","Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.","First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.","Chemical science","2018","9","5","1273","1278","10.1039/c7sc02479g","","","0.71073","MoKα","","0.0646","0.0289","","","0.0526","0.0625","","","","","","1.047","","","","has coordinates,has disorder","228690","2020-10-21","18:00:00",""
"1548600","17.8352","0.0015","16.7797","0.0016","28.365","0.003","90","","90","","90","","8488.8","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H62 B2 N4 Se -","- C42 H62 B2 N4 Se -","- C336 H496 B16 N32 Se8 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0869","0.0508","","","0.1029","0.1182","","","","","","1.097","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548601","16.39","0.03","17.61","0.03","38.28","0.07","90","","90","","90","","11049","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 B2 N4 O3 S4 -","- C54 H86 B2 N4 O3 S4 -","- C432 H688 B16 N32 O24 S32 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.4879","0.215","","","0.4095","0.537","","","","","","1.036","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548634","13.4779","0.0014","8.1983","0.0009","31.894","0.003","90","","90","","90","","3524.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 N O S -","- C19 H27 N O S -","- C152 H216 N8 O8 S8 -","8","1","","Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao","Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.","Chemical science","2018","9","7","1846","1853","10.1039/c7sc04580h","","","0.71073","MoKα","","0.0563","0.0466","","","0.1143","0.121","","","","","","1.048","","","","has coordinates","228786","2020-10-21","18:00:00",""
"1548655","29.9305","0.0005","12.1234","0.0002","47.9429","0.0008","90","","90","","90","","17396.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H139 N4 Ni2 O4 -","- C68 H90 N4 Ni2 O4 -","- C544 H720 N32 Ni16 O32 -","8","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0893","0.0555","","","0.125","0.1382","","","","","","1.08","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548677","5.9238","0.0014","9.735","0.002","22.444","0.008","90","","90","","90","","1294.3","0.6","176","2","176","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-4-nitropyridine <i>N</i>-oxide","","- C5 H3 Cl N2 O3 -","- C5 H3 Cl N2 O3 -","- C40 H24 Cl8 N16 O24 -","8","1","TK4042","Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.","2-Chloro-4-nitropyridine <i>N</i>-oxide","IUCrData","2018","3","1","x180016","","10.1107/S2414314618000160","","","0.71073","MoKα","","0.0718","0.0496","","","0.1204","0.1316","","","","","","1.064","","","","has coordinates,has Fobs","205185","2020-10-21","18:00:00",""
"1548685","9.8152","0.0003","10.0783","0.0002","22.512","0.0007","90","","90","","90","","2226.9","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C80 H88 F24 N16 O8 -","8","1","HB4201","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","IUCrData","2018","3","1","x180040","","10.1107/S2414314618000408","","","1.54184","CuKα","","0.0563","0.0435","","","0.1281","0.1393","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","205193","2020-10-21","18:00:00",""
"1548790","11.517","0.0006","8.7431","0.0004","22.2595","0.0013","90","","90","","90","","2241.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","HB4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","IUCrData","2017","2","12","x171820","","10.1107/S241431461701820X","","","0.71073","MoKα","","0.0905","0.0508","","","0.106","0.1279","","","","","","1.044","","","","has coordinates,has Fobs","205735","2020-10-21","18:00:00",""
"1548791","13.4521","0.0015","7.181","0.0007","34.204","0.003","90","","90","","90","","3304.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","","","- C19 H14 Br F N2 O -","- C19 H14 Br F N2 O -","- C152 H112 Br8 F8 N16 O8 -","8","1","HB4185","Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","IUCrData","2017","2","12","x171708","","10.1107/S2414314617017084","","","0.71073","MoKα","","0.1458","0.0548","","","0.0824","0.1104","","","","","","0.97","","","","has coordinates,has Fobs","205736","2020-10-21","18:00:00",""
"1548827","18.2412","0.0002","14.5616","0.0002","23.1101","0.0004","90","","90","","90","","6138.53","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Cl3 Cr N7 O2 -","- C27 H33 Cl3 Cr N7 O2 -","- C216 H264 Cl24 Cr8 N56 O16 -","8","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","0.71073","MoKα","","0.0527","0.0371","","","0.1003","0.1042","","","","","","1.097","","","","has coordinates","227963","2020-10-21","18:00:00",""
"1548847","19.704","0.0002","13.9512","0.0001","26.6779","0.0003","90","","90","","90","","7333.61","0.12","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F9 Li3 N12 O5 -","- C26 H22 F9 Li3 N12 O5 -","- C208 H176 F72 Li24 N96 O40 -","8","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","1.54184","CuKα","","0.053","0.0459","","","0.1204","0.1284","","","","","","1.026","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548870","15.6878","0.0002","12.3457","0.0001","36.8495","0.0005","90","","90","","90","","7136.9","0.14","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H59 B Cl N5 O -","- C33 H59 B Cl N5 O -","- C264 H472 B8 Cl8 N40 O8 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0765","0.065","","","0.1842","0.1974","","","","","","1.029","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548900","9.312","0.002","16.956","0.004","29.498","0.007","90","","90","","90","","4657.6","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 N4 O6 S2 -","- C16 H24 Co F6 N4 O6 S2 -","- C128 H192 Co8 F48 N32 O48 S16 -","8","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.7107","MoKα","","0.0251","0.0227","","","0.0556","0.0568","","","","","","1.091","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548997","16.8152","0.0003","15.0512","0.0003","17.5637","0.0004","90","","90","","90","","4445.18","0.16","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C200 H176 F24 N8 O24 S8 -","8","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0447","","","","0.1214","","","","","","1.135","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1549032","7.6447","0.0002","13.1287","0.0004","29.1836","0.0008","90","","90","","90","","2929.01","0.14","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C128 H128 N32 O8 -","8","1","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0602","0.0421","","","0.1165","0.1349","","","","","","1.085","","","","has coordinates","227639","2020-10-21","18:00:00",""
"1549112","14.0519","0.0002","14.4485","0.0003","24.3473","0.0005","90","","90","","90","","4943.2","0.16","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0429","0.029","","","0.0534","0.0593","","","","","","1.118","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549138","16.9466","0.0007","20.6986","0.0009","23.0289","0.001","90","","90","","90","","8077.9","0.6","151.25","","151.25","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C384 H416 O8 P16 -","8","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0822","0.0616","","","0.1624","0.1791","","","","","","1.025","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549185","18.6221","0.0007","8.0211","0.0003","20.4046","0.0007","90","","90","","90","","3047.83","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I3 N2 Pb -","- C7 H15 I3 N2 Pb -","- C56 H120 I24 N16 Pb8 -","8","1","","Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming","Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.","Chemical communications (Cambridge, England)","2018","54","34","4321","4324","10.1039/c8cc00786a","","","0.71073","MoKα","","0.0547","0.0275","","","0.0424","0.0472","","","","","","1.019","","","","has coordinates","228584","2020-10-21","18:00:00",""
"1549197","13.9091","0.0005","26.4208","0.0008","28.6342","0.001","90","","90","","90","","10522.8","0.6","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H74 N2 O8 Zn -","- C57 H74 N2 O8 Zn -","- C456 H592 N16 O64 Zn8 -","8","1","","Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold","Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5801","5811","10.1039/c8dt00757h","","","0.71073","MoKα","","0.0648","0.0437","","","0.1075","0.1146","","","","","","0.978","","","","has coordinates","229624","2020-10-21","18:00:00",""
"1549228","19.707","0.005","17.611","0.004","20.439","0.005","90","","90","","90","","7094","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B N2 O5 P -","- C34 H50 B N2 O5 P -","- C272 H400 B8 N16 O40 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.067","0.0535","","","0.2029","0.2269","","","","","","0.96","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549253","14.6519","0.0006","15.5746","0.0006","27.2406","0.001","90","","90","","90","","6216.2","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","MK402","","","- C26 H49 F3 Ir N2 O2 P2 -","- C26 H49 F3 Ir N2 O2 P2 -","- C208 H392 F24 Ir8 N16 O16 P16 -","8","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0278","0.0193","","","0.0362","0.0386","","","","","","1.031","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549277","20.8497","0.0008","16.0333","0.0006","23.8954","0.0009","90","","90","","90","","7988","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 B Cl4 F15 P -","- C38 H37 B Cl4 F15 P -","- C304 H296 B8 Cl32 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0499","0.0405","","","0.0993","0.1073","","","","","","1.047","","","","has coordinates,has disorder","228833","2020-10-21","18:00:00",""
"1549287","21.493","0.0017","22.3378","0.0019","38.715","0.003","90","","90","","90","","18587","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C93 H100 B2 Co F27 N8 O4 S -","- C93 H100 B2 Co F27 N8 O4 S -","- C744 H800 B16 Co8 F216 N64 O32 S8 -","8","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1568","0.1073","","","0.2609","0.2964","","","","","","1.023","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549314","19.142","0.004","24.665","0.005","26.029","0.006","90","","90","","90","","12289","5","150","2","149.96","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,9-diphenyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C58 H46 B F24 Na O9 -","- C58 H46 B F24 Na O9 -","- C464 H368 B8 F192 Na8 O72 -","8","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0734","0.0451","","","0.0953","0.1113","","","","","","1.017","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549348","18.2763","0.0006","7.5909","0.0002","20.0571","0.0006","90","","90","","90","","2782.59","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C104 H120 N40 O16 S8 -","8","1","IS4027","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","IUCrData","2018","3","4","x180600","","10.1107/S2414314618006004","","","0.71073","MoKα","","0.086","0.0417","","","0.0919","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","207579","2020-10-21","18:00:00",""
"1549378","13.5058","0.0003","13.9638","0.0003","21.6147","0.0008","90","","90","","90","","4076.4","0.2","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl2 N2 Pd -","- C20 H28 Cl2 N2 Pd -","- C160 H224 Cl16 N16 Pd8 -","8","1","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0407","0.0286","","","0.0584","0.0626","","","","","","1.03","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549431","18.5845","0.0004","14.7047","0.0002","19.673","0.0003","90","","90","","90","","5376.23","0.16","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 B11 Br6 Si -","- C14 H19 B11 Br6 Si -","- C112 H152 B88 Br48 Si8 -","8","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0519","0.0368","","","0.0808","0.0881","","","","","","1.084","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549553","10.0717","0.0014","9.612","0.003","21.809","0.004","90","","90","","90","","2111.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H13 Cu O8 P -","- C4 H13 Cu O8 P -","- C32 H104 Cu8 O64 P8 -","8","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid'","Zeitschrift für anorganische und allgemeine Chemie","2018","644","4","205","","10.1002/zaac.201700453","","","0.71073","MoKα","","0.0565","0.0341","","0.0726","0.0702","","","","1.098","1.279","1.279","","","","","has coordinates","208344","2020-10-21","18:00:00",""
"1549554","8.1247","0.0015","9.19","0.0009","21.023","0.002","90","","90","","90","","1569.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H9 Cu O7 P -","- C3 H9 Cu O7 P -","- C24 H72 Cu8 O56 P8 -","8","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid'","Zeitschrift für anorganische und allgemeine Chemie","2018","644","4","205","","10.1002/zaac.201700453","","","0.71073","MoKα","","0.074","0.0286","","0.0569","0.0502","","","","0.6","0.751","0.751","","","","","has coordinates","208345","2020-10-21","18:00:00",""
"1549606","15.634","0.003","17.716","0.004","21.661","0.004","90","","90","","90","","5999","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0)","","- C28 H30 Mo N2 O4 P2 -","- C28 H30 Mo N2 O4 P2 -","- C224 H240 Mo8 N16 O32 P16 -","8","1","RZ4024","Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent","IUCrData","2018","3","6","x180846","","10.1107/S2414314618008465","","","0.71073","MoKα","","0.0304","0.0216","","","0.0488","0.0503","","","","","","0.917","","","","has coordinates,has Fobs","208655","2020-10-21","18:00:00",""
"1549631","11.3085","0.0005","24.2407","0.0012","37.5101","0.0018","90","","90","","90","","10282.5","0.8","100","2","99.97","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H81 B Fe N3 P3 Si2 -","- C47 H81 B Fe N3 P3 Si2 -","- C376 H648 B8 Fe8 N24 P24 Si16 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0689","0.0567","","","0.1215","0.1258","","","","","","1.19","","","","has coordinates","228622","2020-10-21","18:00:00",""
"1549700","30.1086","0.0003","31.9945","0.0004","46.8128","0.0007","90","","90","","90","","45095.2","1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","","- C252 H300 N20 -","- C252 H300 N20 -","- C2016 H2400 N160 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1283","0.0793","","","0.2166","0.2596","","","","","","1.013","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549704","8.0941","0.0003","43.971","0.002","8.3622","0.0005","90","","90","","90","","2976.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H26 N O4 Sb -","- C14 H26 N O4 Sb -","- C112 H208 N8 O32 Sb8 -","8","1","","Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.","Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution.","Chemical communications (Cambridge, England)","2018","54","64","8849","8852","10.1039/c8cc05187a","","","0.71073","MoKα","","0.0413","0.0394","","","0.1081","0.1093","","","","","","1.134","","","","has coordinates,has disorder","228226","2020-10-21","18:00:00",""
"1549714","9.265","0.0002","10.3523","0.0002","36.0698","0.0008","90","","90","","90","","3459.6","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H15 N O2 S -","- C22 H15 N O2 S -","- C176 H120 N8 O16 S8 -","8","1","SJ4187","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2018","3","7","x181019","","10.1107/S2414314618010192","","","0.71073","MoKα","","0.0799","0.0463","","","0.0907","0.1046","","","","","","1.061","","","","has coordinates,has Fobs","209168","2020-10-21","18:00:00",""
"1549775","18.7793","0.0002","7.4521","0.0001","50.3987","0.0006","90","","90","","90","","7053.06","0.15","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","compound 8","","- C25 H15 N S2 -","- C25 H15 N S2 -","- C400 H240 N16 S32 -","16","2","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0419","0.041","","","0.0917","0.0921","","","","","","1.278","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549795","15.631","0.012","11.614","0.008","16.976","0.011","90","","90","","90","","3082","4","150","","149.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-2,3,3-trimethylindol-1-ium iodide","","- C15 H22 I N -","- C15 H22 I N -","- C120 H176 I8 N8 -","8","1","HB4247","da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís","1-Butyl-2,3,3-trimethylindol-1-ium iodide","IUCrData","2018","3","8","x181130","","10.1107/S2414314618011306","","","0.71073","MoKα","","0.0273","0.019","","","0.0435","0.0472","","","","","","1.03","","","","has coordinates,has Fobs","209719","2020-10-21","18:00:00",""
"1549799","18.9606","0.0003","18.7387","0.0003","34.1557","0.0006","90","","90","","90","","12135.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Cl6 Fe3 N11 -","- C64 H53 Cl6 Fe3 N11 -","- C512 H424 Cl48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0394","0.0328","","","0.0726","0.0758","","","","","","1.069","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549802","19.0269","0.0004","18.8487","0.0004","35.2474","0.0006","90","","90","","90","","12640.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Br6 Fe3 N11 -","- C64 H53 Br6 Fe3 N11 -","- C512 H424 Br48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0703","0.076","","","","","","1.022","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549858","16.13031","0.00015","14.54437","0.00012","17.33703","0.00017","90","","90","","90","","4067.36","0.06","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N O3 -","- C23 H26 Ir N O3 -","- C184 H208 Ir8 N8 O24 -","8","1","","Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida","Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines","Catalysis Science & Technology","2018","8","24","6316","","10.1039/C8CY01236A","","x-ray","1.54184","CuKα","","0.0191","0.0172","","","0.0437","0.045","","","","","","1.042","","","","has coordinates","227954","2020-10-21","18:00:00",""
"1549876","9.1082","0.0005","10.2539","0.0006","25.5319","0.0015","90","","90","","90","","2384.5","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C104 H112 Cl8 N8 O24 -","8","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0822","0.0668","","","0.1763","0.2002","","","","","","1.017","","","","has coordinates","230960","2020-10-21","18:00:00",""
"1550042","21.712","0.002","13.037","0.002","54.215","0.014","90","","90","","90","","15346","5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H80 Cl12 N8 Zn2 -","- C62 H76 Cl8 N8 Zn2 -","- C496 H608 Cl64 N64 Zn16 -","8","1","","Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.","Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.","Chemical communications (Cambridge, England)","2018","54","89","12586","12589","10.1039/c8cc07661h","","x-ray","0.71073","MoKα","","0.1887","0.0848","","","0.2178","0.2526","","","","","","0.981","","","","has coordinates","228271","2020-10-21","18:00:00",""
"1550095","8.23403","0.0001","10.88902","0.00013","34.457","0.0005","90","","90","","90","","3089.43","0.07","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C176 H112 N16 O8 -","8","1","","Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C.","Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","1","140","147","10.1039/c8pp00279g","","x-ray","1.54184","CuKα","","0.0411","0.0338","","","0.0851","0.0905","","","","","","1.045","","","","has coordinates","225317","2020-10-21","18:00:00",""
"1550189","16.309","0.0005","11.4239","0.0004","24.8441","0.0008","90","","90","","90","","4628.8","0.3","100","","100.02","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B F4 Fe N2 Ni O S Se -","- C20 H27 B F4 Fe N2 Ni O S Se -","- C160 H216 B8 F32 Fe8 N16 Ni8 O8 S8 Se8 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.056","0.055","","","0.1969","0.1976","","","","","","1.143","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550190","16.2504","0.0006","11.3127","0.0004","24.8851","0.0008","90","","90","","90","","4574.8","0.3","100","2","99.98","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 -","- C20 H27 B0.783 Cl0.217 F3.132 Fe N2 Ni O S2 -","- C160 H216 B6.264 Cl1.736 F25.056 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0676","0.0626","","","0.1586","0.1619","","","","","","1.18","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550205","8.9115","0.0002","16.2345","0.0003","32.4328","0.0007","90","","90","","90","","4692.17","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H38 N4 O2 -","- C22 H38 N4 O2 -","- C176 H304 N32 O16 -","8","1","","Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita","Investigating the effect of supramolecular gel phase crystallization on gel nucleation.","Soft matter","2018","14","46","9489","9497","10.1039/c8sm01916a","","x-ray","0.71073","MoKα","","0.0934","0.0637","","","0.1549","0.1738","","","","","","1.029","","","","has coordinates,has disorder","230976","2020-10-21","18:00:00",""
"1550247","10.1454","0.0003","15.0815","0.0003","15.2995","0.0003","90","","90","","90","","2340.94","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Hg2 I4 N4 S2 -","- C10 H16 Hg2 I4 N4 S2 -","- C40 H64 Hg8 I16 N16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0262","0.0212","","","0.0445","0.0467","","","","","","1.061","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550378","37.682","0.004","6.9971","0.0004","15.2009","0.0009","90","","90","","90","","4007.9","0.5","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C216 H184 N8 O16 -","8","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.0937","0.0717","","","0.1322","0.144","","","","","","1.137","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550441","13.4725","0.0002","9.8551","0.0001","32.7259","0.0004","90","","90","","90","","4345.11","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C112 H240 I16 N32 O16 -","16","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0529","0.0492","","0.1128","0.1105","0.1128","","","","","","1.0124","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550473","17.2467","0.0017","13.0572","0.0009","18.6141","0.0016","90","","90","","90","","4191.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H68 Al2 N2 -","- C46 H68 Al2 N2 -","- C184 H272 Al8 N8 -","4","0.5","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.1067","0.0519","","","0.0955","0.1138","","","","","","1.006","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550496","12.7694","0.0003","7.3282","0.0003","38.4557","0.001","90","","90","","90","","3598.56","0.19","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Au Cl N O P -","- C19 H16 Au Cl N O P -","- C152 H128 Au8 Cl8 N8 O8 P8 -","8","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0589","0.0491","","","0.1287","0.1388","","","","","","1.041","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550538","10.9356","0.0003","15.8786","0.0004","33.0214","0.0012","90","","90","","90","","5733.9","0.3","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan","Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation","Chemical Science","2019","","","","","10.1039/C8SC04520H","","x-ray","1.54184","CuKα","","0.0637","0.044","","","0.1183","0.1324","","","","","","1.039","","","","has coordinates","213410","2020-10-21","18:00:00",""
"1550545","15.3389","0.0006","14.0741","0.0005","23.7894","0.001","90","","90","","90","","5135.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H70 Mg2 N4 -","- C60 H70 Mg2 N4 -","- C240 H280 Mg8 N16 -","4","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1308","0.0712","","","0.184","0.21","","","","","","1.065","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550563","11.3883","0.0002","18.8747","0.0004","31.9081","0.0007","90","","90","","90","","6858.7","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H59 Cu3.12 Li0.88 N3 -","- C33 H59 Cu3.124 Li0.876 N3 -","- C264 H472 Cu24.992 Li7.008 N24 -","8","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.058","0.0491","","","0.1036","0.1063","","","","","","1.28","","","","has coordinates,has disorder","213502","2020-10-21","18:00:00",""
"1550565","8.6647","0.0002","16.1964","0.0004","21.7364","0.0006","90","","90","","90","","3050.42","0.13","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cu2 Li2 N2 -","- C30 H46 Cu2 Li2 N2 -","- C120 H184 Cu8 Li8 N8 -","4","0.5","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0451","0.0326","","","0.0754","0.0806","","","","","","1.062","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550587","7.9243","0.0005","23.7112","0.0009","24.927","0.0015","90","","90","","90","","4683.7","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","","- C27 H17 Cl F N3 O2 S -","- C27 H17 Cl F N3 O2 S -","- C216 H136 Cl8 F8 N24 O16 S8 -","8","1","HB4283","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","IUCrData","2019","4","2","x190170","","10.1107/S2414314619001706","","","0.71073","MoKα","","0.1193","0.0581","","","0.1491","0.1841","","","","","","1.044","","","","has coordinates,has Fobs","213622","2020-10-21","18:00:00",""
"1550633","16.151","0.015","7.314","0.007","19.036","0.019","90","","90","","90","","2249","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C96 H96 O16 S8 -","8","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.1591","0.0847","","","0.2319","0.3243","","","","","","1.048","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550676","8.2322","0.0009","16.009","0.0015","30.617","0.003","90","","90","","90","","4035","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H26 F3 N O3 S -","- C18 H26 F3 N O3 S -","- C144 H208 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.0742","0.057","","","0.1583","0.1716","","","","","","1.095","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550696","13.4772","0.0013","20.032","0.002","20.904","0.002","90","","90","","90","","5643.6","1","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 I N3 O S2 -","- C25 H24 I N3 O S2 -","- C200 H192 I8 N24 O8 S16 -","8","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0843","0.0535","","","0.1346","0.1523","","","","","","1.04","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550770","7.0412","0.0007","22.373","0.002","29.798","0.003","90","","90","","90","","4694.2","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C240 H144 Br16 N16 -","8","1","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1431","0.0761","","","0.1015","0.12","","","","","","1.046","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550868","14.9529","0.0014","8.173","0.0008","24.26","0.002","90","","90","","90","","2964.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br2 N -","- C18 H11 Br2 N -","- C144 H88 Br16 N8 -","8","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.0434","0.0386","","","0.0834","0.0853","","","","","","1.214","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550895","22.26","","22.2598","0.0005","25.7392","0.0005","90","","90","","90","","12753.9","0.4","185","2","185","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H63 Cl N2 O12 Pd -","- C55 H63 Cl N2 O12 Pd -","- C440 H504 Cl8 N16 O96 Pd8 -","8","1","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.1528","0.0641","","","0.1572","0.1894","","","","","","0.976","","","","has coordinates,has disorder","225343","2020-10-21","18:00:00",""
"1550961","10.5086","0.0004","12.016","0.0004","27.2839","0.0011","90","","90","","90","","3445.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo","A visible-light mediated three-component radical process using dithiocarbamate anion catalysis","Chemical Science","2019","","","","","10.1039/C9SC00833K","","","0.71073","MoKα","","0.0564","0.0422","","","0.1126","0.1208","","","","","","1.078","","","","has coordinates,has disorder","214865","2020-10-21","18:00:00",""
"1550998","10.1337","0.001","12.5991","0.0013","30.3","0.003","90","","90","","90","","3868.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br2 S2 -","- C20 H24 Br2 S2 -","- C160 H192 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0251","0.0199","","","0.0433","0.0446","","","","","","1.049","","","","has coordinates","215021","2020-10-21","18:00:00",""
"1550999","12.542","0.0006","9.1015","0.0005","28.8047","0.0015","90","","90","","90","","3288.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br2 S2 -","- C15.9992 H19.9986 Br2 S2 -","- C127.994 H159.989 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0184","0.0173","","","0.0405","0.0409","","","","","","1.062","","","","has coordinates,has disorder","215021","2020-10-21","18:00:00",""
"1551020","10.8313","0.0004","7.618","0.0003","24.1463","0.0008","90","","90","","90","","1992.38","0.13","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","HB4297","Lough, Alan J.; Hill, Jarvis; Tam, William","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","IUCrData","2019","4","5","x190609","","10.1107/S2414314619006096","","","1.54178","CuKα","","0.0346","0.0341","","","0.0873","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","215046","2020-10-21","18:00:00",""
"1551151","21.3924","0.0002","18.277","0.0001","22.9162","0.0003","90","","90","","90","","8959.98","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H71 B Mg N4 O2 -","- C44 H71 B Mg N4 O2 -","- C352 H568 B8 Mg8 N32 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0765","0.0653","","","0.1585","0.1655","","","","","","1.067","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551154","20.5267","0.0001","19.7717","0.0001","21.7073","0.0001","90","","90","","90","","8809.86","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H68 B Mg N3 O2 -","- C46 H68 B Mg N3 O2 -","- C368 H544 B8 Mg8 N24 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.048","0.0448","","","0.1168","0.1198","","","","","","1.032","","","","has coordinates,has disorder","215509","2020-10-21","18:00:00",""
"1551491","9.8337","0.0002","11.6263","0.0003","35.5613","0.0008","90","","90","","90","","4065.71","0.16","100","2","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H20 -","- C30 H20 -","- C240 H160 -","8","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0488","0.0486","","","0.1279","0.1281","","","","","","1.102","","","","has coordinates","216063","2020-10-21","18:00:00",""
"1551494","16.5065","0.001","7.0663","0.0004","21.0475","0.0015","90","","90","","90","","2455","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0806","0.0552","","","0.1187","0.1315","","","","","","1.094","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551599","23.6829","0.0013","7.5558","0.0004","24.1777","0.0013","90","","90","","90","","4326.4","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br N4 O -","- C10 H9 Br N4 O -","- C160 H144 Br16 N64 O16 -","16","2","","HWANG, Long-Chih; CHUANG, Chung-Lin; SU, Chun-Wei; LEE, Gene-Hsiang","Packing of Two Independent Molecules: 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2<i>H</i>)-one","X-ray Structure Analysis Online","2016","32","0","33","","10.2116/xraystruct.32.33","","","0.71073","MoKα","","0.1003","0.0527","","","0.1161","0.1348","","","","","","1.06","","","","has coordinates","216209","2020-10-21","18:00:00",""
"1551644","24.679","0.004","9.873","0.004","9.253","0.005","90","","90","","90","","2254.5","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl F N O2 -","- C10 H13 Cl F N O2 -","- C80 H104 Cl8 F8 N8 O16 -","8","1","","Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane","Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine","X-ray Structure Analysis Online","2015","31","","23","","10.2116/xraystruct.31.23","","","1.5418","CuKα","","0.0993","0.0601","","","0.1479","0.173","","","","","","1.062","","","","has coordinates","291310","2024-04-22","11:56:54",""
"1551711","36.993","0.002","10.1567","0.0007","8.3441","0.0006","90","","90","","90","","3135.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K.","Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","X-ray Structure Analysis Online","2012","28","0","27","","10.2116/xraystruct.28.27","","","0.71073","MoKα","","0.0878","0.069","","","0.1299","0.1406","","","","","","1.075","","","","has coordinates","216323","2020-10-21","18:00:00",""
"1551755","5.564","0.0011","14.832","0.003","26.399","0.005","90","","90","","90","","2178.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cl3 N O -","- C9 H8 Cl3 N O -","- C72 H64 Cl24 N8 O8 -","8","1","","YANG, Hai-Yu; LI, Yu-Feng; LIU, Shan; FENG, Mei-Li; ZHU, Hong-Jun","Crystal Structure of 3-Chloro-4-(3,3-dichloroallyloxy)benzenamine","X-ray Structure Analysis Online","2010","26","","51","","10.2116/xraystruct.26.51","","","0.71073","MoKα","","0.0947","0.0509","","","0.1086","0.1254","","","","","","1.004","","","","has coordinates","216367","2020-10-21","18:00:00",""
"1551811","20.375","0.003","41.499","0.003","8.139","0.003","90","","90","","90","","6882","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C336 H304 N16 O80 -","16","2","","KAMIGAUCHI, Miyoko; NODA, Yuko; IWASA, Kinuko; IN, Yasuko; ISHIDA, Toshimasa","Addendum: Crystal Structure of (dl)-Corynoloxine [X-ray Structure Analysis Online, Vol. 25, p. 1 (2009)]","X-ray Structure Analysis Online","2009","25","","45","","10.2116/xraystruct.25.45","","","1.54178","CuKα","","0.1548","0.0695","","","0.1712","0.2034","","","","","","1.113","","","","has coordinates","216424","2020-10-21","18:00:00",""
"1551812","13.435","0.003","23.358","0.003","10.139","0.003","90","","90","","90","","3181.8","1.2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","1","","KAMIGAUCHI, Miyoko; IN, Yasuko; ISHIDA, Toshimasa","X-ray Structure Analysis of (dl)-DeN-Corynoline, Derived from Hexahydorobenzo[c]phenanthridine Type Alkaloid Corynoline","X-ray Structure Analysis Online","2009","25","","27","","10.2116/xraystruct.25.27","","","1.54178","CuKα","","0.0649","0.05","","","0.1388","0.1462","","","","","","1.191","","","","has coordinates","216425","2020-10-21","18:00:00",""
"1551864","11.8873","0.0012","19.315","0.002","21.733","0.002","90","","90","","90","","4990","0.9","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","HCTCPR12","","","- C19 H30 Cl N5 O6 S2 -","- C19 H30 Cl N5 O6 S2 -","- C152 H240 Cl8 N40 O48 S16 -","8","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0405","0.0359","","","0.0971","0.1016","","","","","","1.031","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551902","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","216566","2020-10-21","18:00:00",""
"1551911","15.215","0.002","11.5219","0.0018","29.439","0.005","90","","90","","90","","5160.8","1.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F3 Ir N O -","- C28 H33 F3 Ir N O -","- C224 H264 F24 Ir8 N8 O8 -","8","1","","Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang","Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination","Nature Chemistry","2018","10","","218","224","10.1038/nchem.2900","","","0.71073","MoKα","","0.0334","0.0224","","","0.0452","0.0492","","","","","","1.116","","","","has coordinates","216576","2020-10-21","18:00:00",""
"1551920","20.214","0.006","9.634","0.004","23.524","0.006","90","","90","","90","","4581","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Be Cl2 N -","- C23 H35 Be Cl2 N -","- C184 H280 Be8 Cl16 N8 -","8","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0424","0.0342","","","0.0885","0.0944","","","","","","1.044","","","","has coordinates","216649","2020-10-21","18:00:00",""
"1551941","12.2648","0.0005","14.7116","0.0006","16.75","0.0008","90","","90","","90","","3022.3","0.2","260","2","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0542","0.032","","","0.0648","0.0719","","","","","","1.079","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551945","12.3342","0.0006","14.4997","0.0007","15.8603","0.0008","90","","90","","90","","2836.5","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0537","0.0368","","","0.0692","0.0742","","","","","","1.146","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551946","12.3352","0.0006","14.622","0.0007","16.1726","0.0008","90","","90","","90","","2917","0.2","212","","212","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0762","0.0387","","","0.0695","0.0781","","","","","","1.113","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551949","12.367","0.003","14.371","0.004","16.929","0.004","90","","90","","90","","3008.7","1.3","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1207","0.0882","","","0.2086","0.2334","","","","","","1.096","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551951","12.2405","0.0007","13.9694","0.0009","16.0892","0.0009","90","","90","","90","","2751.1","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0591","0.0482","","","0.1002","0.1054","","","","","","1.099","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551952","12.2235","0.0006","14.0648","0.0007","16.3631","0.0007","90","","90","","90","","2813.2","0.2","178","","178","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0698","0.0515","","","0.1179","0.1281","","","","","","1.075","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551993","9.8724","0.0008","20.8516","0.0017","27.507","0.002","90","","90","","90","","5662.5","0.8","100","","100","","","","","","","","CH2Cl2/Pentane","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 Au Cl3 P -","- C33 H25 Au Cl3 P -","- C264 H200 Au8 Cl24 P8 -","8","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0324","0.0208","","","0.0438","0.0487","","","","","","1.108","","","","has coordinates","216801","2020-10-21","18:00:00",""
"1552119","14.265","0.008","8.06","0.004","17.564","0.009","90","","90","","90","","2019.4","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-nitro-1,10-phenanthroline","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C96 H64 N32 O16 -","8","1","HB4300","Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.","5-Amino-6-nitro-1,10-phenanthroline","IUCrData","2019","4","7","x191016","","10.1107/S2414314619010162","","","0.71073","MoKα","","0.1332","0.0579","","","","0.1758","","","","","","1.027","","","","has coordinates,has Fobs","217194","2020-10-21","18:00:00",""
"1552293","10.5366","0.0011","7.4255","0.0007","31.091","0.003","90","","90","","90","","2432.5","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0917","0.0565","","","0.1605","0.18","","","","","","1.087","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552346","13.1751","0.0007","14.2709","0.0008","28.3358","0.0016","90","","90","","90","","5327.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BS-A-122","","","- C20 H44 Cl3 N P2 W -","- C20 H44 Cl3 N P2 W -","- C160 H352 Cl24 N8 P16 W8 -","8","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0451","0.0291","","","0.0473","0.0507","","","","","","1.081","","","","has coordinates","218836","2020-10-21","18:00:00",""
"1552351","35.8282","0.0017","18.7973","0.0008","17.4964","0.0007","90","","90","","90","","11783.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H70 B2 N6 Ni -","- C69 H70 B2 N6 Ni -","- C552 H560 B16 N48 Ni8 -","8","1","","Sethuraman, Muthuramalingam; Anandababu, Karunanithi; Velusamy, Marappan; Ramasamy, Mayilmurugan","One Step Phenol Synthesis from Benzene Catalysed by Nickel(II) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01471C","","","0.71073","MoKα","","0.133","0.0762","","","0.1496","0.1768","","","","","","1.055","","","","has coordinates","218878","2020-10-21","18:00:00",""
"1552365","33.5643","0.0016","21.7048","0.0009","6.9605","0.0003","90","","90","","90","","5070.8","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H36 N4 O8 Pd -","- C52 H36 N4 O8 Pd -","- C208 H144 N16 O32 Pd4 -","4","0.5","","Li, Shuai; Mei, Hong-Min; Yao, Shi-Lin; Chen, Zhiyao; Lu, Yu-Lin; Zhang, Li; Su, Cheng-Yong","Well-Distributed Pt-Nanoparticles within Confined Coordination Interspaces of Self-Sensitized Porphyrin Metal-Organic Frameworks: Synergistic Effect Boosting Highly Efficient Photocatalytic Hydrogen Evolution Reaction","Chemical Science","2019","","","","","10.1039/C9SC01866B","","x-ray","1.54184","CuKα","","0.0932","0.072","","","0.1524","0.1663","","","","","","1.081","","","","has coordinates","218983","2020-10-21","18:00:00",""
"1552391","16.1147","0.00019","12.70487","0.00014","22.6264","0.0002","90","","90","","90","","4632.42","0.09","140","0.1","140","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C208 H248 N8 O32 -","8","1","","Muriel, Bastian; Gagnebin, Alec; Waser, Jerome","Synthesis of Bicyclo[3.1.0]hexanes by (3+2) Annulation of Cyclopropenes with Aminocyclopropanes","Chemical Science","2019","","","","","10.1039/C9SC03790J","","x-ray","1.54184","CuKα","","0.0425","0.035","","","0.0891","0.0953","","","","","","1.022","","","","has coordinates","219170","2020-10-21","18:00:00",""
"1552396","10.3332","0.0006","14.5631","0.0009","15.1782","0.0009","90","","90","","90","","2284.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C112 H96 O16 S8 -","8","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0395","0.0322","","","0.0876","0.0956","","","","","","1.024","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552401","5.5482","0.0017","12.167","0.003","24.556","0.006","90","","90","","90","","1657.7","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","0.5","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0563","0.0441","","","0.1171","0.1238","","","","","","1.055","","","","has coordinates","219188","2020-10-21","18:00:00",""
"1552420","10.9699","0.0003","16.9662","0.0004","36.5183","0.0008","90","","90","","90","","6796.7","0.3","296","","297","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H39 F6 Ir O P2 -","- C37 H39 F6 Ir O P2 -","- C296 H312 F48 Ir8 O8 P16 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.055","0.0428","","","0.1022","0.1096","","","","","","1.019","","","","has coordinates,has disorder","219338","2020-10-21","18:00:00",""
"1552422","11.1444","0.0003","24.2099","0.0006","39.1676","0.001","90","","90","","90","","10567.6","0.5","296","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H61 B Ir O P -","- C65 H61 B Ir O P -","- C520 H488 B8 Ir8 O8 P8 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0454","0.0428","","","0.1052","0.1073","","","","","","1.068","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552441","21.083","0.003","7.043","0.0009","23.465","0.003","90","","90","","90","","3484.3","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","TPHAP","","- C22 H13 N9 -","- C22 H13 N9 -","- C176 H104 N72 -","8","1","","Kim, Jaejun; Ohtsu, Hiroyoshi; Den, Taizen; Deekamwong, Krittanun; Muneta, Iriya; Kawano, Masaki","Control of anisotropy of redox-active molecule-based film leads to non-volatile resistive switching memory","Chemical Science","2019","","","","","10.1039/C9SC04213J","","x-ray","0.71073","MoKα","","0.1495","0.0666","","","0.1379","0.1886","","","","","","1.006","","","","has coordinates","219405","2020-10-21","18:00:00",""
"1552514","17.3395","0.001","18.5712","0.001","19.5632","0.0012","90","","90","","90","","6299.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H52 Mn N P4 Si -","- C25.0012 H52.0032 Mn N P4.0004 Si -","- C200.01 H416.026 Mn8 N8 P32.0032 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1117","0.0846","","","0.1787","0.1859","","","","","","1.227","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552559","7.513","0.013","13.49","0.02","32.45","0.06","90","","90","","90","","3289","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh","Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant.","Journal of medicinal chemistry","2019","62","13","6315","6329","10.1021/acs.jmedchem.9b00717","","","0.71073","MoKα","","0.0962","0.0469","","","0.088","0.1001","","","","","","1.009","","","","has coordinates","222069","2020-10-21","18:00:00",""
"1552809","17.2401","0.0011","19.3123","0.0016","41.135","0.003","90","","90","","90","","13695.7","1.7","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H58 N16 O3 Si4 -","- C77 H58 N16 O3 Si4 -","- C616 H464 N128 O24 Si32 -","8","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","1.54178","CuKα","","0.1227","0.0918","","","0.1962","0.208","","","","","","1.127","","","","has coordinates","227442","2020-10-21","18:00:00",""
"1552840","9.738","0.004","7.241","0.003","24.578","0.01","90","","90","","90","","1733.1","1.2","566","2","566","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O2 S2 -","- C9 H6 O2 S2 -","- C72 H48 O16 S16 -","8","1","","Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang","Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells","Macromolecules","2018","52","1","341","","10.1021/acs.macromol.8b02360","","","0.71073","MoKα","","0.1129","0.109","","","0.382","0.3928","","","","","","3.87","","","","has coordinates","227473","2020-10-21","18:00:00",""
"1552865","15.0751","0.0006","7.6891","0.0004","20.7891","0.0009","90","","90","","90","","2409.75","0.19","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C96 H88 N24 O16 S8 -","8","1","IS5524","Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","IUCrData","2019","4","11","x191501","","10.1107/S2414314619015013","","","0.71073","MoKα","","0.0779","0.0628","","","0.1611","0.1728","","","","","","1.071","","","","has coordinates,has Fobs","227698","2020-10-21","18:00:00",""
"1552877","10.4512","0.0001","18.0543","0.0002","38.7653","0.0005","90","","90","","90","","7314.59","0.14","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 Au Cl2 N3 -","- C41 H52 Au Cl2 N3 -","- C328 H416 Au8 Cl16 N24 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0302","0.0266","","","0.0829","0.0851","","","","","","1.065","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552880","10.0502","0.0002","17.6546","0.0003","39.3833","0.0006","90","","90","","90","","6987.9","0.2","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H49 Au Cl2 N2 O -","- C40 H49 Au Cl2 N2 O -","- C320 H392 Au8 Cl16 N16 O8 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0706","0.0652","","","0.1031","0.1048","","","","","","1.461","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1553000","13.085","0.005","12.063","0.005","23.777","0.009","90","","90","","90","","3753","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Cl6 O6 Ti2 -","- C30 H44 Cl6 O6 Ti2 -","- C120 H176 Cl24 O24 Ti8 -","4","0.5","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.1282","0.0641","","","0.1683","0.1906","","","","","","1.001","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553012","11.876","0.004","7.462","0.003","24.973","0.008","90","","90","","90","","2213.1","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.08","0.056","","","0.1394","0.1549","","","","","","1.079","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553050","17.5053","0.0019","20.281","0.002","21.1684","0.0018","90","","90","","90","","7515.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H53 B11 N2 -","- C32 H53 B11 N2 -","- C256 H424 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.2374","0.0733","","","0.1637","0.2567","","","","","","0.996","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553051","17.474","0.002","20.161","0.002","21.123","0.002","90","","90","","90","","7441.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H55 B11 N2 -","- C32 H55 B11 N2 -","- C256 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1324","0.0646","","","0.1543","0.1982","","","","","","0.948","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553054","17.5189","0.0009","20.3686","0.0012","21.3348","0.0013","90","","90","","90","","7613","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H55 B11 N2 -","- C33 H55 B11 N2 -","- C264 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1259","0.056","","","0.1254","0.1681","","","","","","1.032","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553064","23.3371","0.0003","23.5232","0.0002","27.0473","0.0003","90","","90","","90","","14848","0.3","123.01","0.1","123.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H114 Br4 Cl2 N4 O9 -","- C72 H114 Br4 Cl2 N4 O9 -","- C576 H912 Br32 Cl16 N32 O72 -","8","1","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","","1.5418","CuKα","","0.0905","0.0778","","","0.2208","0.2411","","","","","","1.051","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1553153","12.4972","0.0002","14.1613","0.0002","17.5538","0.0003","90","","90","","90","","3106.61","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0422","0.0379","","","0.0934","0.0966","","","","","","1.05","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553164","12.5003","0.0011","9.5999","0.0008","34.846","0.003","90","","90","","90","","4181.6","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C176 H192 Cl8 N8 O32 -","8","1","","Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong","Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water","Organic Chemistry Frontiers","2015","2","10","1326","","10.1039/C5QO00202H","","","0.71073","MoKα","","0.0973","0.0465","","","0.094","0.1073","","","","","","1.015","","","","has coordinates","233651","2020-10-21","18:00:00",""
"1553166","7.008","0.002","13.515","0.004","19.467","0.006","90","","90","","90","","1843.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C80 H64 N32 O8 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","The development of carbene-stabilized N‒O radical coupling strategy in metal-free regioselective C‒H azidation of quinoline N-oxides","Organic Chemistry Frontiers","2015","2","10","1313","","10.1039/C5QO00204D","","","0.71073","MoKα","","0.0925","0.0571","","","0.1495","0.1799","","","","","","1.025","","","","has coordinates","233655","2020-10-21","18:00:00",""
"1553222","34.01","0.05","9.158","0.013","7.196","0.01","90","","90","","90","","2241","6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","no","3-fluoro-6,7,8,9-tetrahydrobenzo[a]azulen-10(5H)-one","","- C14 H13 F O -","- C14 H13 F O -","- C112 H104 F8 O8 -","8","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.094","0.047","","","0.1189","0.1405","","","","","","1.037","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553263","11.78544","0.00006","14.43434","0.00011","23.04719","0.00013","90","","90","","90","","3920.67","0.04","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18.75 H26 Cl Ir N5 O0.75 -","- C18.75 H26 Cl Ir N5 O0.75 -","- C150 H208 Cl8 Ir8 N40 O6 -","8","1","","Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.","Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.","Journal of medicinal chemistry","2018","61","16","7330","7344","10.1021/acs.jmedchem.8b00906","","x-ray","1.54184","CuKα","","0.0253","0.0229","","","0.059","0.0611","","","","","","1.05","","","","has coordinates,has disorder","234023","2020-10-21","18:00:00",""
"1553326","8.7826","0.0002","13.1341","0.0004","16.1714","0.0003","90","","90","","90","","1865.4","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","","Chang, Fang-Rong; Li, Pei-Shian; Huang Liu, Rosa; Hu, Hao-Chun; Hwang, Tsong-Long; Lee, Jin-Ching; Chen, Shu-Li; Wu, Yang-Chang; Cheng, Yuan-Bin","Bioactive Phenolic Components from the Twigs of Atalantia buxifolia.","Journal of natural products","2018","81","7","1534","1539","10.1021/acs.jnatprod.7b00938","","","1.54178","CuKα","","0.0548","0.0447","","","0.1409","0.1588","","","","","","1.044","","","","has coordinates","234106","2020-10-21","18:00:00",""
"1553379","12.9258","0.0001","18.5966","0.0002","20.6239","0.0002","90","","90","","90","","4957.49","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C232 H280 N8 O24 -","8","1","","Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong","LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla.","Journal of natural products","2018","81","11","2371","2380","10.1021/acs.jnatprod.8b00338","","x-ray","1.54184","CuKα","","0.1399","0.1102","","","0.2998","0.3396","","","","","","1.254","","","","has coordinates","234199","2020-10-21","18:00:00",""
"1553460","16.558","0.003","17.307","0.004","19.571","0.004","90","","90","","90","","5608","2","173.15","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl2 F3 N7 S -","- C27 H26 Cl2 F3 N7 S -","- C216 H208 Cl16 F24 N56 S8 -","8","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0947","0.0895","","","0.2241","0.2349","","","","","","1.243","","","","has coordinates,has disorder","235022","2020-10-21","18:00:00",""
"1553528","12.7034","0.0011","11.6077","0.001","28.683","0.005","90","","90","","90","","4229.5","0.9","102.1","","102.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C176 H256 O16 Si8 -","8","1","","Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion","Organic Chemistry Frontiers","2016","3","12","1691","","10.1039/C6QO00453A","","","0.71073","MoKα","","0.1939","0.1532","","","0.3787","0.4104","","","","","","1.06","","","","has coordinates,has disorder","235099","2020-10-21","18:00:00",""
"1553532","11.1348","0.0009","10.8734","0.001","24.741","0.002","90","","90","","90","","2995.5","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong","Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner","Organic Chemistry Frontiers","2016","3","12","1746","","10.1039/C6QO00462H","","x-ray","0.71073","MoKα","","0.2039","0.0674","","","0.1267","0.1889","","","","","","0.926","","","","has coordinates","235104","2020-10-21","18:00:00",""
"1553534","11.335","0.002","7.4991","0.0015","37.869","0.008","90","","90","","90","","3219","1.1","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0799","0.0693","","","0.1375","0.1441","","","","","","1.172","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553541","7.6825","0.0003","17.5861","0.0008","22.9639","0.0011","90","","90","","90","","3102.5","0.2","100","1","100","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0669","0.0581","","","0.1538","0.1604","","","","","","1.041","","","","has coordinates","235110","2020-10-21","18:00:00",""
"1553583","16.4974","0.0002","6.84171","0.0001","28.6498","0.0003","90","","90","","90","","3233.72","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br2 F3 -","- C18 H15 Br2 F3 -","- C144 H120 Br16 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.5418","CuKα","","0.0263","0.0232","","","0.0596","0.0612","","","","","","1.055","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553606","8.874","0.006","13.733","0.009","27.215","0.017","90","","90","","90","","3317","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0465","0.0354","","","0.0886","0.0962","","","","","","1.031","","","","has coordinates","235197","2020-10-21","18:00:00",""
"1553622","15.6516","0.0005","14.7041","0.0004","20.8303","0.0006","90","","90","","90","","4793.9","0.2","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N4 O2 Si -","- C23 H30 N4 O2 Si -","- C184 H240 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.048","0.0389","","0.1007","0.0942","0.1005","","","","","","1.0233","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553625","8.9462","0.0005","11.9145","0.0006","43.549","0.002","90","","90","","90","","4641.9","0.4","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N4 O2 Si -","- C21 H34 N4 O2 Si -","- C168 H272 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0668","0.0577","","0.1162","0.1136","0.1162","","","","","","0.9617","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553739","25.513","0.013","13.881","0.008","6.794","0.004","90","","90","","90","","2406","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-fluoro-2-phenyl-1H-indole-1-carbonitrile","","- C15 H9 F N2 -","- C15 H9 F N2 -","- C120 H72 F8 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.1134","","","","0.3222","","","","","","1.049","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553740","25.555","0.002","14.1257","0.0011","6.8724","0.0006","90","","90","","90","","2480.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-1H-indole-1-carbonitrile","","- C16 H13 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.0467","","","","0.1541","","","","","","0.92","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553783","10.7971","0.0008","15.2395","0.0013","26.1285","0.0019","90","","90","","90","","4299.2","0.6","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ph-4Br-Pyr","","- C22 H18 Br4 N2 -","- C22 H18 Br4 N2 -","- C176 H144 Br32 N16 -","8","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.7107","MoKα","","0.0826","0.0529","","","0.0992","0.1106","","","","","","1.065","","","","has coordinates","236027","2020-10-21","18:00:00",""
"1553897","18.1727","0.0015","10.5743","0.0009","23.813","0.0019","90","","90","","90","","4576","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl F3 N2 O3 -","- C23 H20 Cl F3 N2 O3 -","- C184 H160 Cl8 F24 N16 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.1089","0.0596","","","0.1255","0.1478","","","","","","1.032","","","","has coordinates","236137","2020-10-21","18:00:00",""
"1553939","8.8464","0.0004","13.6195","0.0006","30.1026","0.0012","90","","90","","90","","3626.9","0.3","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","x-ray","0.71073","MoKα","","0.04","0.0365","","","0.0977","0.1005","","","","","","1.034","","","","has coordinates","236184","2020-10-21","18:00:00",""
"1553990","17.9676","0.0003","25.7114","0.0006","27.222","0.0005","90","","90","","90","","12575.8","0.4","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C48H40P2Mo3S7Br6","","- C48 H40 Br6 Mo3 P2 S7 -","- C48 H40 Br6 Mo3 P2 S7 -","- C384 H320 Br48 Mo24 P16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0668","0.0451","","","0.1182","0.1266","","","","","","1.135","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1553991","18.3547","0.0003","18.62","0.0003","29.2421","0.0005","90","","90","","90","","9993.9","0.3","150.05","0.1","150.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C32H72Cl6Mo3S7N2","","- C32 H72 Cl6 Mo3 N2 S7 -","- C32 H72 Cl6 Mo3 N2 S7 -","- C256 H576 Cl48 Mo24 N16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0881","0.0641","","","0.1665","0.1858","","","","","","1.067","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1554012","16.082","0.0005","7.689","0.0015","22.68","0.0007","90","","90","","90","","2804.5","0.6","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","1.54184","CuKα","","0.0602","0.0473","","","0.1242","0.1383","","","","","","1.036","","","","has coordinates","236427","2020-10-21","18:00:00",""
"1554013","15.898","0.0013","7.6343","0.0005","22.722","0.0018","90","","90","","90","","2757.8","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl N -","- C16 H16 Cl N -","- C128 H128 Cl8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1302","0.0654","","","0.1576","0.1981","","","","","","1.021","","","","has coordinates","236429","2020-10-21","18:00:00",""
"1554016","16.3828","0.0018","8.1068","0.0007","24.499","0.003","90","","90","","90","","3253.8","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1508","0.0557","","","0.1192","0.1547","","","","","","1.012","","","","has coordinates","236435","2020-10-21","18:00:00",""
"1554023","16.4326","0.0017","7.7795","0.0005","22.582","0.002","90","","90","","90","","2886.8","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 I N -","- C16 H16 I N -","- C128 H128 I8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0695","0.0431","","","0.0946","0.1083","","","","","","1.021","","","","has coordinates","236448","2020-10-21","18:00:00",""
"1554123","12.8953","0.0006","16.0322","0.0007","32.3384","0.0014","90","","90","","90","","6685.6","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(diphenylamino)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C41.7 H38.28 Cl0.12 N2 O2 S -","- C41.7 H38.28 Cl0.12 N2 O2 S -","- C333.6 H306.24 Cl0.96 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.0527","0.0369","","","0.0831","0.0907","","","","","","1.034","","","","has coordinates,has disorder","236597","2020-10-21","18:00:00",""
"1554124","16.8912","0.0006","11.396","0.0004","37.1194","0.0014","90","","90","","90","","7145.2","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, dichloromethane solvate","","- C44 H38 Cl2 N2 O2 S -","- C44 H38 Cl2 N2 O2 S -","- C352 H304 Cl16 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.6889","synchrotron","","0.1134","0.0846","","","0.2421","0.2726","","","","","","1.041","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554125","16.9973","0.0007","11.406","0.0005","37.216","0.0016","90","","90","","90","","7215.1","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, dichloromethane solvate","","- C44 H38 Cl2 N2 O2 S -","- C44 H38 Cl2 N2 O2 S -","- C352 H304 Cl16 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","1.54184","CuKα","","0.075","0.0534","","","0.1247","0.1337","","","","","","1.064","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554158","8.2756","0.0004","22.251","0.0012","28.8955","0.0015","90","","90","","90","","5320.8","0.5","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0358","0.0253","","","0.052","0.0555","","","","","","1.105","","","","has coordinates","236697","2020-10-21","18:00:00",""
"1554172","11.582","0.003","17.782","0.004","25.537","0.006","90","","90","","90","","5259","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 Hf -","- C34 H28 Cl2 Hf -","- C272 H224 Cl16 Hf8 -","8","1","","Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard","High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers","Macromolecules","2018","51","3","914","","10.1021/acs.macromol.7b02679","","x-ray","0.71073","MoKα","","0.0656","0.0418","","","0.0625","0.0694","","","","","","1.162","","","","has coordinates,has disorder","236724","2020-10-21","18:00:00",""
"1554180","15.9365","0.0003","14.9569","0.0002","21.2219","0.0003","90","","90","","90","","5058.47","0.14","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cl5 N2 O3 Ti -","- C22 H26 Cl5 N2 O3 Ti -","- C176 H208 Cl40 N16 O24 Ti8 -","8","1","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","0.71073","MoKα","","0.0575","0.0473","","","0.0869","0.0899","","","","","","1.223","","","","has coordinates,has disorder","236735","2020-10-21","18:00:00",""
"1554260","5.565","0.001","17.417","0.006","19.97","0.005","90","","90","","90","","1935.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-amine","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0728","0.0429","","","0.102","0.1167","","","","","","1.1","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554308","8.2423","0.0002","18.2962","0.0006","34.5544","0.0012","90","","90","","90","","5210.9","0.3","117.5","0.3","117.5","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 F N O8 S -","- C28 H26 F N O8 S -","- C224 H208 F8 N8 O64 S8 -","8","1","","Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng","Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction","Organic Chemistry Frontiers","2018","5","12","1950","","10.1039/C8QO00316E","","x-ray","1.54184","CuKα","","0.0828","0.0624","","","0.1503","0.167","","","","","","1.01","","","","has coordinates","237113","2020-10-21","18:00:00",""
"1554363","18.6245","0.0007","13.7023","0.0006","22.6048","0.0011","90","","90","","90","","5768.7","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl F3 N2 Pd -","- C28 H28 Cl F3 N2 Pd -","- C224 H224 Cl8 F24 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0752","0.0525","","","0.1484","0.1683","","","","","","1.052","","","","has coordinates,has disorder","237157","2020-10-21","18:00:00",""
"1554364","18.9753","0.0007","19.6328","0.0008","20.1865","0.0008","90","","90","","90","","7520.2","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H39 Cl N2 Pd -","- C48 H39 Cl N2 Pd -","- C384 H312 Cl8 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0436","0.0295","","","0.0645","0.0701","","","","","","1.041","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554394","8.3324","0.0007","18.0049","0.0015","18.9382","0.0019","90","","90","","90","","2841.2","0.4","296.32","0.1","296.32","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C136 H104 F16 N8 O16 -","8","1","","Ma, Xingxing; Deng, Shuilin; Song, Qiuling","Halodifluoroacetates as formylation reagents for various amines via unprecedented quadruple cleavage","Organic Chemistry Frontiers","2018","5","24","3505","","10.1039/C8QO00727F","","x-ray","0.71073","MoKα","","0.0657","0.0445","","","0.1082","0.1237","","","","","","1.0611","","","","has coordinates","237187","2020-10-21","18:00:00",""
"1554408","7.5983","0.0003","16.424","0.0007","20.8458","0.0008","90","","90","","90","","2601.44","0.18","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 5-(5-bromo-2-hydroxybenzoyl) nicotinate","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C112 H80 Br8 N8 O32 -","8","1","","Maezono, Shizuka Mei Bautista; Kim, Sung Hong; Lee, Yong Rok","Copper-catalyzed [3 + 2 + 1] annulation for functionalized pyridines as potent and dynamic UV absorbers","Organic Chemistry Frontiers","2018","5","23","3368","","10.1039/C8QO00782A","","","0.71073","MoKα","","0.0345","0.0252","","","0.0607","0.0658","","","","","","1.055","","","","has coordinates","237206","2020-10-21","18:00:00",""
"1554479","17.2641","0.001","14.8304","0.0008","23.9088","0.0014","90","","90","","90","","6121.5","0.6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(5-hydroxy-1,3-dimethyl-1H-pyrazol-2-ium-4-yl)- 1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C144 H160 F96 N32 O80 S32 -","16","2","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0451","0.0373","","","0.0889","0.0929","","","","","","1.064","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554489","7.4865","0.0008","11.7277","0.0013","20.913","0.003","90","","90","","90","","1836.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0552","0.0436","","","0.0997","0.108","","","","","","1.106","","","","has coordinates","237278","2020-10-21","18:00:00",""
"1554509","15.5817","0.0005","20.6208","0.0006","22.0566","0.0007","90","","90","","90","","7086.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H86 F12 N2 O6 P4 -","- C74 H86 F12 N2 O6 P4 -","- C296 H344 F48 N8 O24 P16 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1075","0.1029","","","0.2711","0.2756","","","","","","1.046","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554531","6.6055","0.0003","11.5186","0.0005","23.4809","0.001","90","","90","","90","","1786.57","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C40 H32 F8 N40 O48 -","8","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0368","0.0317","","","0.0837","0.0878","","","","","","1.039","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554551","11.8513","0.0006","8.0917","0.0004","24.6768","0.0012","90","","90","","90","","2366.4","0.2","295.38","0.1","295.38","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C104 H176 O16 -","8","1","","He, Min; Yi, Jiuzhou; Zhao, Gaoyuan; Chen, Peiqi; Long, Dan; Hu, Xiaojun; Li, Huilin; Xie, Xingang; Wang, Xiaolei; She, Xuegong","A concise approach to the tricyclic framework of longipinane- and ent-longipinane-type sesquiterpenoids","Organic Chemistry Frontiers","2019","6","3","383","","10.1039/C8QO01235K","","","0.71073","MoKα","","0.0908","0.0642","","","0.152","0.1749","","","","","","1.066","","","","has coordinates","237331","2020-10-21","18:00:00",""
"1554629","11.0661","0.0015","13.9316","0.0019","15.839","0.002","90","","90","","90","","2441.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N8 O8 -","- C6 H6 N8 O8 -","- C48 H48 N64 O64 -","8","1","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0598","0.0464","","","0.1049","0.111","","","","","","1.089","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554784","14.1538","0.0012","10.7714","0.0008","20.0319","0.0019","90","","90","","90","","3054","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O2 S2 -","- C13 H18 N2 O2 S2 -","- C104 H144 N16 O16 S16 -","8","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.1567","0.0652","","","0.124","0.1493","","","","","","0.927","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554931","17.4772","0.0006","10.488","0.0005","19.6463","0.0005","90","","90","","90","","3601.2","0.2","296.8","0.2","296.8","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","","Huang, Guofei; Ren, Xiaoyu; Jiang, Chunhui; Wu, Jia-Hong; Gao, Guowei; Wang, Tianli","Efficient synthesis of (E)-2-nitromethylcinnamates via phosphine-catalyzed tandem α-addition and 1,3-rearrangement","Organic Chemistry Frontiers","2019","6","16","2872","","10.1039/C9QO00478E","","x-ray","1.54184","CuKα","","0.0659","0.056","","","0.1629","0.1792","","","","","","0.903","","","","has coordinates","238217","2020-10-21","18:00:00",""
"1554954","28.3482","0.0011","19.5347","0.0007","7.5873","0.0003","90","","90","","90","","4201.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Fe O2 S -","- C27 H24 Fe O2 S -","- C216 H192 Fe8 O16 S8 -","8","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0768","0.0497","","","0.0928","0.1026","","","","","","1.046","","","","has coordinates","238235","2020-10-21","18:00:00",""
"1554972","14.5964","0.0005","13.9382","0.0005","14.6669","0.0005","90","","90","","90","","2983.94","0.18","194","2","194","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Hu, Xiaoping; Wang, Gaonan; Qin, Chunxiang; Xie, Xin; Zhang, Chunli; Xu, Wei; Liu, Yuanhong","Ligandless nickel-catalyzed transfer hydrogenation of alkenes and alkynes using water as the hydrogen donor","Organic Chemistry Frontiers","2019","6","15","2619","","10.1039/C9QO00616H","","","0.71073","MoKα","","0.0422","0.0359","","","0.088","0.0931","","","","","","1.034","","","","has coordinates","238246","2020-10-21","18:00:00",""
"1554984","19.0146","0.0006","13.8372","0.0003","21.2518","0.0005","90","","90","","90","","5591.5","0.3","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B11 Cl6 O -","- C20 H21 B11 Cl6 O -","- C160 H168 B88 Cl48 O8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","x-ray","0.71073","MoKα","","0.0452","0.0392","","","0.1062","0.1098","","","","","","1.043","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1555061","10.6177","0.0009","21.038","0.003","26.249","0.002","90","","90","","90","","5863.4","1.1","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 Cl2 N4 O4 -","- C34 H22 Cl2 N4 O4 -","- C272 H176 Cl16 N32 O32 -","8","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.188","0.078","","0.0928","0.0458","0.0458","","","","","","1.0968","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555082","10.1327","0.001","12.0719","0.0014","28.967","0.003","90","","90","","90","","3543.3","0.7","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9.5 H8.5 N0.5 O0.5 S -","- C9.5 H8.5 N0.5 O0.5 S -","- C152 H136 N8 O8 S16 -","16","2","","Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling","Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals","Organic Chemistry Frontiers","2019","6","19","3355","","10.1039/C9QO00847K","","x-ray","0.71073","MoKα","","0.1198","0.0634","","","0.1463","0.1848","","","","","","0.8505","","","","has coordinates","238307","2020-10-21","18:00:00",""
"1555107","8.8394","0.001","8.5924","0.001","23.437","0.003","90","","90","","90","","1780.1","0.4","291","2","291","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(1R*,5S*,8S*)-4,6-Dioxatricyclo[6.4.0.0^1,5^]dodec-10-en-7-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0796","0.0696","","","0.1582","0.1644","","","","","","1.22","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555118","10.1992","0.001","17.1094","0.0019","33.448","0.003","90","","90","","90","","5836.7","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 N2 O3 -","- C34 H28 Cl2 N2 O3 -","- C272 H224 Cl16 N16 O24 -","8","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1643","0.0727","","","0.1324","0.1624","","","","","","1.052","","","","has coordinates","238330","2020-10-21","18:00:00",""
"1555158","11.4945","0.0005","7.5152","0.0004","17.4299","0.0009","90","","90","","90","","1505.66","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H3 Cl2 N2 -","- C7 H4 Cl2 N2 -","- C56 H32 Cl16 N16 -","8","1","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","1.54178","CuKα","","0.0457","0.0372","","","0.0946","0.1032","","","","","","1.056","","","","has coordinates","238355","2020-10-21","18:00:00",""
"1555165","11.48","0.002","10.279","0.002","26.181","0.005","90","","90","","90","","3089.4","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen","Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.","Organic letters","2015","17","17","4184","4187","10.1021/acs.orglett.5b01928","","","0.71073","MoKα","","0.0493","0.0384","","","0.1015","0.1085","","","","","","1.062","","","","has coordinates","238361","2020-10-21","18:00:00",""
"1555196","12.7097","0.0009","15.6515","0.0013","17.3613","0.0014","90","","90","","90","","3453.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0446","","","","0.1156","","","","","","1.076","","","","has coordinates","238383","2020-10-21","18:00:00",""
"1555200","8.899","0.008","16.027","0.013","21.774","0.019","90","","90","","90","","3106","5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.1027","0.0676","","","0.1251","0.1376","","","","","","1.104","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555202","16.535","0.0007","8.4288","0.0004","22.1228","0.0009","90","","90","","90","","3083.3","0.2","100","","100.16","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0729","0.0557","","","0.1381","0.1519","","","","","","1.061","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555208","9.5341","0.0002","17.1742","0.0004","34.8068","0.0007","90","","90","","90","","5699.3","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H22 F6 -","- C42 H22 F6 -","- C336 H176 F48 -","8","1","","Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.","Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.","Organic letters","2015","17","17","4224","4227","10.1021/acs.orglett.5b02009","","x-ray","1.54178","CuKα","","0.0436","0.0363","","","0.0954","0.1011","","","","","","1.039","","","","has coordinates","238389","2020-10-21","18:00:00",""
"1555225","13.9815","0.0008","16.6793","0.0006","26.5582","0.0009","90","","90","","90","","6193.4","0.5","217.9","","217.9","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H32 N2 O9 -","- C40 H32 N2 O9 -","- C320 H256 N16 O72 -","8","1","","Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.","Organic letters","2015","17","16","4102","4105","10.1021/acs.orglett.5b02044","","","0.7107","MoKα","","0.0667","0.0481","","","0.095","0.1037","","","","","","1.032","","","","has coordinates","238405","2020-10-21","18:00:00",""
"1555258","6.9189","0.0001","13.8264","0.0003","21.5767","0.0005","90","","90","","90","","2064.1","0.07","100","0.2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl2 N3 S -","- C9 H5 Cl2 N3 S -","- C72 H40 Cl16 N24 S8 -","8","1","","Kalogirou, Andreas S.; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of N-Aryl-3,5-dichloro-4H-1,2,6-thiadiazin-4-imines from 3,4,4,5-Tetrachloro-4H-1,2,6-thiadiazine.","Organic letters","2015","17","16","4118","4121","10.1021/acs.orglett.5b02237","","","1.54184","CuKα","","0.0317","0.0315","","","0.0835","0.0838","","","","","","1.111","","","","has coordinates","238431","2020-10-21","18:00:00",""
"1555297","14.9558","0.0003","15.4562","0.0004","19.3998","0.0005","90","","90","","90","","4484.45","0.19","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H35 B N3 O P Ru -","- C20 H35 B N3 O P Ru -","- C160 H280 B8 N24 O8 P8 Ru8 -","8","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","0.71073","MoKα","","0.0372","0.0265","","","0.0538","0.0586","","","","","","1.017","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555310","14.5086","0.0013","13.0756","0.0009","15.3147","0.001","90","","90","","90","","2905.3","0.4","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C152 H112 N16 O8 -","8","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","0.71073","MoKα","","0.0539","0.0398","","","0.0926","0.1022","","","","","","1.038","","","","has coordinates","238459","2020-10-21","18:00:00",""
"1555317","9.915","0.003","17.298","0.005","22.652","0.006","90","","90","","90","","3885","1.9","273","","273","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","0.0525","0.0413","","","0.0889","0.0949","","","","","","0.934","","","","has coordinates","238469","2020-10-21","18:00:00",""
"1555389","12.7295","0.0012","15.5318","0.0014","24.571","0.002","90","","90","","90","","4858","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br N2 O3 -","- C29 H25 Br N2 O3 -","- C232 H200 Br8 N16 O24 -","8","1","","Li, Falin; Chen, Jiangfei; Hou, Yading; Li, Yujie; Wu, Xin-Yan; Tong, Xiaofeng","1,3-Dipolar Cycloadditions of 4-Acetoxy Allenoates: Access to 2,3-Dihydropyrazoles, 2,3-Dihydroisoxazoles, and Indolizines.","Organic letters","2015","17","21","5376","5379","10.1021/acs.orglett.5b02724","","","0.71073","MoKα","","0.058","0.0371","","","0.0825","0.0917","","","","","","1.017","","","","has coordinates","238599","2020-10-21","18:00:00",""
"1555447","15.108","0.0007","7.54","0.0005","27.9119","0.0014","90","","90","","90","","3179.6","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-methoxy-1-(4-methoxyphenyl)-9H-fluoren-9-one","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","","Ravi Kumar, Devarapalli; Satyanarayana, Gedu","Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.","Organic letters","2015","17","23","5894","5897","10.1021/acs.orglett.5b03077","","","1.54184","CuKα","","0.0806","0.0622","","","0.1677","0.1986","","","","","","1.052","","","","has coordinates","238690","2020-10-21","18:00:00",""
"1555469","12.5409","0.0014","7.8473","0.0008","31.588","0.003","90","","90","","90","","3108.6","0.6","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0739","0.0467","","","0.1095","0.1241","","","","","","1.019","","","","has coordinates","238739","2020-10-21","18:00:00",""
"1555484","28.26","0.017","11.505","0.008","11.128","0.008","90","","90","","90","","3618","4","293","","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N3 O3 P -","- C16 H24 N3 O3 P -","- C128 H192 N24 O24 P8 -","8","1","","Ahamad, Shakir; Kant, Ruchir; Mohanan, Kishor","Metal-Free Three-Component Domino Approach to Phosphonylated Triazolines and Triazoles.","Organic letters","2016","18","2","280","283","10.1021/acs.orglett.5b03437","","","0.71075","MoKα","","0.1783","0.0901","","","0.238","0.3076","","","","","","0.908","","","","has coordinates","238770","2020-10-21","18:00:00",""
"1555487","14.6593","0.001","7.8044","0.0006","27.406","0.002","90","","90","","90","","3135.4","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0998","0.0474","","","0.1006","0.1211","","","","","","1.022","","","","has coordinates","238778","2020-10-21","18:00:00",""
"1555490","13.21","0.0007","7.8624","0.0004","27.4014","0.0014","90","","90","","90","","2846","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0634","0.0473","","","0.1077","0.115","","","","","","1.039","","","","has coordinates","238784","2020-10-21","18:00:00",""
"1555621","17.814","0.0004","9.6903","0.0002","23.0455","0.0005","90","","90","","90","","3978.18","0.15","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N -","- C26 H23 N -","- C208 H184 N8 -","8","1","","Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu","Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes.","Organic letters","2016","18","17","4178","4181","10.1021/acs.orglett.6b01627","","","1.54184","CuKα","","0.0953","0.0725","","","0.1737","0.1929","","","","","","1.052","","","","has coordinates","238953","2020-10-21","18:00:00",""
"1555632","12.5299","0.0004","11.0917","0.0004","15.3671","0.0006","90","","90","","90","","2135.69","0.13","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","","Patzelt, Christoph; Pöthig, Alexander; Gulder, Tanja","Iodine(III)-Catalyzed Cascade Reactions Enabling a Direct Access to β-Lactams and α-Hydroxy-β-amino Acids.","Organic letters","2016","18","14","3466","3469","10.1021/acs.orglett.6b01658","","x-ray","0.71073","MoKα","","0.053","0.0399","","","0.0968","0.1045","","","","","","1.018","","","","has coordinates","238964","2020-10-21","18:00:00",""
"1555637","13.816","0.002","13.862","0.003","19.248","0.004","90","","90","","90","","3686.3","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","0.71075","MoKα","","0.0439","0.0394","","","0.1259","0.1324","","","","","","1.071","","","","has coordinates","238969","2020-10-21","18:00:00",""
"1555691","7.1372","0.0004","12.6521","0.0007","31.0391","0.0017","90","","90","","90","","2802.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","ThioBr2","","","- C9 H16 B Br2 P S -","- C9 H16 B Br2 P S -","- C72 H128 B8 Br16 P8 S8 -","8","1","","Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma","Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion.","Organic letters","2016","18","16","4132","4135","10.1021/acs.orglett.6b02094","","","0.71073","MoKα","","0.0514","0.0335","","","0.0714","0.077","","","","","","1.024","","","","has coordinates","239021","2020-10-21","18:00:00",""
"1555714","16.057","0.003","36.163","0.007","40.408","0.008","90","","90","","90","","23464","8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C112 H114 N8 O8 -","- C112 H114 N8 O8 -","- C896 H912 N64 O64 -","8","1","","Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung","Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions.","Organic letters","2016","18","17","4404","4407","10.1021/acs.orglett.6b02156","","","0.7","synchrotron","","0.1341","0.0733","","","0.1887","0.213","","","","","","0.958","","","","has coordinates,has disorder","239045","2020-10-21","18:00:00",""
"1555726","12.7082","0.0012","10.0795","0.0009","24.4296","0.0018","90","","90","","90","","3129.2","0.5","292.2","0.6","292.2","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Bantreil, Xavier; Bourderioux, Aurélie; Mateo, Pierre; Hagerman, Caroline E.; Selkti, Mohamed; Brachet, Etienne; Belmont, Philippe","Phosphine-Triggered Selectivity Switch in Silver-Catalyzed o-Alkynylbenzohydroxamic Acid Cycloisomerizations.","Organic letters","2016","18","19","4814","4817","10.1021/acs.orglett.6b02235","","x-ray","0.71073","MoKα","","0.0947","0.0592","","","0.1679","0.1879","","","","","","1.075","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555807","10.6778","0.0012","15.1304","0.0017","20.376","0.002","90","","90","","90","","3291.9","0.6","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0379","0.035","","","0.0972","0.0994","","","","","","1.076","","","","has coordinates,has disorder","239135","2020-10-21","18:00:00",""
"1555822","7.5079","0.0009","14.0053","0.0017","29.564","0.004","90","","90","","90","","3108.7","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Li, Deng Yuan; Jiang, Liang Liang; Chen, Shuang; Huang, Zheng Lu; Dang, Li; Wu, Xin Yan; Liu, Pei Nian","Cascade Reaction of Alkynols and 7-Oxabenzonorbornadienes Involving Transient Hemiketal Group Directed C-H Activation and Synergistic Rh<sup>III</sup>/Sc<sup>III</sup> Catalysis.","Organic letters","2016","18","19","5134","5137","10.1021/acs.orglett.6b02587","","","0.71073","MoKα","","0.0656","0.049","","","0.1201","0.1313","","","","","","1.037","","","","has coordinates","239150","2020-10-21","18:00:00",""
"1555848","14.9062","0.0006","8.6079","0.0005","17.2918","0.001","90","","90","","90","","2218.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.1361","0.0889","","","0.2426","0.2934","","","","","","1.047","","","","has coordinates","239176","2020-10-21","18:00:00",""
"1555876","14.8765","0.0006","9.6372","0.0004","24.3534","0.0009","90","","90","","90","","3491.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SJY-005","","","- C19 H17 Br O2 S -","- C19 H17 Br O2 S -","- C152 H136 Br8 O16 S8 -","8","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.0998","0.059","","","0.116","0.1343","","","","","","1.08","","","","has coordinates","239201","2020-10-21","18:00:00",""
"1555893","18.249","0.004","7.4323","0.0015","22.242","0.004","90","","90","","90","","3016.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N -","- C20 H17 Fe N -","- C160 H136 Fe8 N8 -","8","1","","Zhou, Shuguang; Wang, Mingyang; Wang, Lili; Chen, Kehao; Wang, Jinhu; Song, Chao; Zhu, Jin","Bidentate Directing-Enabled, Traceless Heterocycle Synthesis: Cobalt-Catalyzed Access to Isoquinolines.","Organic letters","2016","18","21","5632","5635","10.1021/acs.orglett.6b02870","","","1.54178","CuKα","","0.0432","0.0386","","","0.1069","0.1118","","","","","","1.067","","","","has coordinates","239218","2020-10-21","18:00:00",""
"1555917","8.7863","0.0004","19.6959","0.0008","19.81","0.0007","90","","90","","90","","3428.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C152 H208 N16 O8 -","8","1","","Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides.","Organic letters","2016","18","22","5924","5927","10.1021/acs.orglett.6b02999","","","1.54178","CuKα","","0.0614","0.0507","","","0.1404","0.1619","","","","","","1.091","","","","has coordinates","239242","2020-10-21","18:00:00",""
"1555982","15.792","0.003","12.08","0.003","19.334","0.004","90","","90","","90","","3688.3","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Hu, Ming; Zou, Hua-Xu; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Copper-Catalyzed C-H Oxidative Radical Functionalization and Annulation of Aniline-Linked 1,7-Enynes: Evidence for a 1,5-Hydride Shift Mechanism.","Organic letters","2016","18","24","6460","6463","10.1021/acs.orglett.6b03352","","","0.71073","MoKα","","0.0822","0.0556","","","0.1371","0.1612","","","","","","1.049","","","","has coordinates","239303","2020-10-21","18:00:00",""
"1556025","18.5446","0.001","17.7946","0.0009","18.9442","0.001","90","","90","","90","","6251.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C336 H224 N16 O16 -","8","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.0851","0.0537","","","0.1133","0.1301","","","","","","1.046","","","","has coordinates","239346","2020-10-21","18:00:00",""
"1556040","5.5413","0.0001","15.8031","0.0003","45.3572","0.001","90","","90","","90","","3971.92","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C176 H208 O32 S8 -","8","1","","Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy","Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl.","Organic letters","2017","19","8","2174","2177","10.1021/acs.orglett.7b00834","","","0.6889","synchrotron","","0.0456","0.0389","","0.1036","0.0908","0.1036","","","","","","0.9967","","","","has coordinates","239361","2020-10-21","18:00:00",""
"1556046","5.541","0.004","15.387","0.012","22.574","0.018","90","","90","","90","","1925","3","120","","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 O S2 -","- C12 H6 O S2 -","- C96 H48 O8 S16 -","8","1","","Mitsudo, Koichi; Kurimoto, Yuji; Mandai, Hiroki; Suga, Seiji","Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives.","Organic letters","2017","19","11","2821","2824","10.1021/acs.orglett.7b00969","","","0.71075","MoKα","","0.1429","0.1377","","","0.2094","0.2114","","","","","","1.581","","","","has coordinates","239367","2020-10-21","18:00:00",""
"1556047","8.0471","0.0004","16.3426","0.0008","29.6614","0.0017","90","","90","","90","","3900.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N2 O Rh -","- C19 H26 Cl N2 O Rh -","- C152 H208 Cl8 N16 O8 Rh8 -","8","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.1071","0.097","","","0.2634","0.2881","","","","","","1.085","","","","has coordinates","239368","2020-10-21","18:00:00",""
"1556057","8.0739","0.0005","10.2485","0.0008","27.568","0.002","90","","90","","90","","2281.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0658","0.0454","","","0.0974","0.1075","","","","","","1.032","","","","has coordinates","239378","2020-10-21","18:00:00",""
"1556062","9.3826","0.0003","13.5881","0.0004","18.663","0.0005","90","","90","","90","","2379.38","0.12","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto","Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone.","Organic letters","2017","19","14","3763","3766","10.1021/acs.orglett.7b01604","","","1.54187","CuKα","","","0.0488","","","","0.126","","","","","","1.087","","","","has coordinates","239382","2020-10-21","18:00:00",""
"1556137","7.544","0.001","17.023","0.001","26.006","0.002","90","","90","","90","","3339.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 O3 P -","- C22 H13 O3 P -","- C176 H104 O24 P8 -","8","1","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71069","MoKα","","0.0617","0.0441","","","0.1147","0.1332","","","","","","1.087","","","","has coordinates","243495","2020-10-21","18:00:00",""
"1556155","15.6316","0.0011","14.9322","0.0011","15.632","","90","","90","","90","","3648.7","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N O Rh -","- C20 H21 Cl N O Rh -","- C160 H168 Cl8 N8 O8 Rh8 -","8","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Li, Yuanchao","Rhodium(III)-catalyzed intermolecular direct amidation of aldehyde C-H bonds with N-chloroamines at room temperature.","Organic letters","2013","15","12","2934","2937","10.1021/ol400921r","","","0.71073","MoKα","","0.089","0.042","","","0.0775","0.0904","","","","","","1.005","","","","has coordinates","243509","2020-10-21","18:00:00",""
"1556213","12.6783","0.0015","7.099","0.0007","23.032","0.002","90","","90","","90","","2073","0.4","200","1","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C104 H64 N16 O16 -","8","1","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","0.71073","MoKα","","0.1095","0.0735","","","0.1947","0.2257","","","","","","1.086","","","","has coordinates","243568","2020-10-21","18:00:00",""
"1556218","7.4941","0.0003","15.8862","0.0007","16.1019","0.0006","90","","90","","90","","1916.98","0.13","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","","de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques","Electrosynthesis of imidazolium carboxylates.","Organic letters","2013","15","17","4410","4413","10.1021/ol401949f","","","0.71073","MoKα","","0.0696","0.0467","","","0.0968","0.1089","","","","","","1.102","","","","has coordinates","243572","2020-10-21","18:00:00",""
"1556255","10.504","0.009","12.325","0.012","21.276","0.019","90","","90","","90","","2754","4","293","2","293","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Das, Dipendu; Kant, Ruchir; Chakraborty, Tushar Kanti","An approach to a bislactone skeleton: a scalable total synthesis of (±)-penifulvin A.","Organic letters","2014","16","10","2618","2621","10.1021/ol500768w","","","0.71075","MoKα","","0.1288","0.1244","","","0.3384","0.3417","","","","","","1.141","","","","has coordinates","243601","2020-10-21","18:00:00",""
"1556258","15.64","0.002","15.55","0.002","20.474","0.003","90","","90","","90","","4979.3","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","froab01","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C216 H264 N8 O40 S8 -","8","1","","Bitar, Abdallah Y.; Frontier, Alison J.","Formal synthesis of (+/-)-roseophilin.","Organic letters","2009","11","1","49","52","10.1021/ol802329y","","","0.71073","MoKα","","0.0614","0.0419","","","0.1046","0.1164","","","","","","1.03","","","","has coordinates","243604","2020-10-21","18:00:00",""
"1556297","15.492","0.008","17.191","0.01","25.784","0.01","90","","90","","90","","6867","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cl4 Co N3 O2 -","- C28 H33 Cl4 Co N3 O2 -","- C224 H264 Cl32 Co8 N24 O16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.3039","0.0972","","","0.201","0.2764","","","","","","0.85","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556300","17.148","0.004","20.564","0.004","22.319","0.004","90","","90","","90","","7870","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Fe N3 S2 -","- C38 H37 Cl4 Fe N3 S2 -","- C304 H296 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1875","0.075","","","0.1522","0.1874","","","","","","0.926","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556303","17.056","0.003","20.693","0.007","22.231","0.004","90","","90","","90","","7846","3","203","","203","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Mn N3 S2 -","- C38 H37 Cl4 Mn N3 S2 -","- C304 H296 Cl32 Mn8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1762","0.0746","","","0.1239","0.1495","","","","","","0.925","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556304","17.54","0.003","20.405","0.004","22.23","0.004","90","","90","","90","","7956","3","203","","203","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Br2 N3 Ni O S2 -","- C41 H43 Br2 N3 Ni O S2 -","- C328 H344 Br16 N24 Ni8 O8 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1832","0.0786","","","0.1878","0.2168","","","","","","1.049","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556319","17.529","0.004","18.752","0.004","25.656","0.005","90","","90","","90","","8433","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H38 Cl2 N2 O Ti -","- C48 H38 Cl2 N2 O Ti -","- C384 H304 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","0.1428","0.1065","","","0.2577","0.2817","","","","","","1.153","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556331","15.4851","0.0003","12.3449","0.0002","33.0323","0.0006","90","","90","","90","","6314.5","0.2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 5","","","- C60 H86 Cl4 N2 O6 V2 -","- C60 H86 Cl4 N2 O6 V2 -","- C240 H344 Cl16 N8 O24 V8 -","4","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.0867","0.0612","","","0.1045","0.1129","","","","","","1.199","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556386","9.2391","0.0003","17.1518","0.0006","22.2035","0.0006","90","","90","","90","","3518.53","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N -","- C21 H27 N -","- C168 H216 N8 -","8","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0676","0.0479","","","0.1184","0.132","","","","","","1.026","","","","has coordinates","244429","2020-10-21","18:00:00",""
"1556404","15.3067","0.0009","12.1443","0.0007","18.1692","0.001","90","","90","","90","","3377.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.068","0.0379","","","0.0804","0.0943","","","","","","1.026","","","","has coordinates","244781","2020-10-21","18:00:00",""
"1556421","16.0206","0.0003","24.7785","0.0005","16.9022","0.0004","90","","90","","90","","6709.6","0.2","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H47 Al N2 -","- C39 H47 Al N2 -","- C312 H376 Al8 N16 -","8","1","","Ito, S.; Tanaka, K.; Chujo, Y.","Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand","Inorganics","2019","7","","100","","10.3390/inorganics7080100","","","0.71075","MoKα","","0.0535","0.0428","","","0.1001","0.1055","","","","","","1.048","","","","has coordinates","244893","2020-10-21","18:00:00",""
"1556511","20.4142","0.0004","22.2202","0.0004","39.3523","0.0007","90","","90","","90","","17850.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H104 I4 Mg3 N6 -","- C90 H104 I4 Mg3 N6 -","- C720 H832 I32 Mg24 N48 -","8","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.2154","0.0411","","","0.047","0.0665","","","","","","0.653","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556583","17.338","0.0016","18.0108","0.0017","22.317","0.002","90","","90","","90","","6969","1.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H58 Si8 -","- C22 H58 Si8 -","- C176 H464 Si64 -","8","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0251","0.0218","","","0.0583","0.0619","","","","","","1.051","","","","has coordinates","245203","2020-10-21","18:00:00",""
"1556591","22.6979","0.0012","20.6402","0.001","28.5118","0.0013","90","","90","","90","","13357.5","1.1","100","2","100","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H84 Cl2 F18 Ir2 K N6 O2 P3 -","- C54 H80 Cl2 F18 Ir2 K N6 O2 P3 -","- C432 H640 Cl16 F144 Ir16 K8 N48 O16 P24 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","1.54178","CuKα","","0.0486","0.0356","","","0.0835","0.0918","","","","","","1.038","","","","has coordinates,has disorder","245211","2020-10-21","18:00:00",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556614","11.3287","0.0013","17.976","0.002","46.325","0.005","90","","90","","90","","9433.8","1.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H76 Si11 -","- C32 H76 Si11 -","- C256 H608 Si88 -","8","1","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0482","0.0377","","","0.0793","0.0839","","","","","","1.099","","","","has coordinates","245251","2020-10-21","18:00:00",""
"1556643","10.5062","0.0008","17.5469","0.0013","36.649","0.003","90","","90","","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C272 H384 B16 Br8 P24 -","8","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0727","","","","","","1.057","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556693","13.52","0.005","14.455","0.005","19.496","0.005","90","","90","","90","","3810","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pydicOIPh","Bis(2-iodophenyl)pyridine-2,6-dicarboxylate","","- C19 H11 I2 N O4 -","- C19 H11 I2 N O4 -","- C152 H88 I16 N8 O32 -","8","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1272","0.0329","","","0.0522","0.0671","","","","","","0.739","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556702","17.0353","0.0013","18.7759","0.0014","25.4659","0.0018","90","","90","","90","","8145.3","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","","- C42 H38 F4 N8 Ni O8 -","- C42 H38 F4 N8 Ni O8 -","- C336 H304 F32 N64 Ni8 O64 -","8","1","","Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","IUCrData","2019","4","12","x191688","","10.1107/S2414314619016882","","","0.71073","MoKα","","0.0432","0.0347","","","0.0989","0.1094","","","","","","1.008","","","","has coordinates,has Fobs","245483","2020-10-21","18:00:00",""
"1556868","10.0358","0.0004","12.1076","0.0006","43.226","0.002","90","","90","","90","","5252.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 B O -","- C34 H31 B O -","- C272 H248 B8 O8 -","8","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0605","0.0542","","","0.1396","0.1484","","","","","","1.19","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1557062","13.1964","0.0002","13.3812","0.0002","16.7048","0.0003","90","","90","","90","","2949.79","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0365","0.0312","","","0.0875","0.0903","","","","","","1.059","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557068","12.2557","0.0002","9.5626","0.0002","21.5616","0.0004","90","","90","","90","","2526.94","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C128 H88 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0333","0.0303","","","0.0792","0.0822","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557131","6.0431","0.0002","13.3857","0.0004","14.3592","0.0004","90","","90","","90","","1161.53","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H5 D N2 -","- C6 H5 D N2 -","- C48 H40 D8 N16 -","8","1","","Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei","An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines","Chemical Science","2020","11","3","742","747","10.1039/C9SC05627K","","x-ray","1.54184","CuKα","","0.0746","0.0667","","","0.1497","0.1598","","","","","","1.099","","","","has coordinates","257419","2020-10-21","18:00:00",""
"1557180","8.459","0.001","10.552","0.002","22.823","0.003","90","","90","","90","","2037.2","0.5","","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 N4 S2 -","- C10 N2 S -","- C80 N16 S8 -","8","1","","Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari","Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes","Acta Chemica Scandinavica","1997","51","","462","469","10.3891/acta.chem.scand.51-0462","","x-ray","1.5418","CuKα","","","0.034","","","0.038","","","","","","","","","","","has coordinates","247343","2020-10-21","18:00:00",""
"1557290","11.2724","0.0005","6.279","0.0004","12.5272","0.0007","90","","90","","90","","886.67","0.08","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chlorotetrazine","","- C2 H Cl N4 -","- C2 H Cl N4 -","- C16 H8 Cl8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0768","0.0772","","","","","","1.096","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557294","12.7468","0.0005","5.60166","0.00019","12.9507","0.0004","90","","90","","90","","924.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-bromotetrazine","","- C2 H Br N4 -","- C2 H Br N4 -","- C16 H8 Br8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.0512","0.0516","","","","","","1.101","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","248070","2020-10-21","18:00:00",""
"1557310","13.813","0.005","40.529","0.014","12.404","0.004","90","","90","","90","","6944","4","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(3L)Cl(bipy)].0.5H2O","","","- C16 H15 Cl Cu N5 O4.5 -","- C4 Cl Cu N3 O4.5 -","- C64 Cl16 Cu16 N48 O72 -","16","2","","Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio","Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study","Acta Chemica Scandinavica","1997","51","","1051","1057","10.3891/acta.chem.scand.51-1051","","x-ray","0.71073","MoKα","","","0.0685","","","0.114","","","","","","","0.757","","","","has coordinates","248079","2020-10-21","18:00:00",""
"1557324","9.733","0.004","23.332","0.004","8.963","0.001","90","","90","","90","","2035.4","0.9","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N'-bis(2-hydroxybenzyl)piperazine nitrate","","","- C18 H24 N4 O8 -","- C18 H4 N4 O8 -","- C72 H16 N16 O32 -","4","0.5","","Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari","Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.","Acta Chemica Scandinavica","1997","51","","1162","1168","10.3891/acta.chem.scand.51-1162","","x-ray","0.71073","MoKα","","0.1393","0.0491","","","0.0963","0.2245","","","","","","0.985","","","","has coordinates","248228","2020-10-21","18:00:00",""
"1557348","6.48","0.007","14.84","0.009","26.79","0.02","90","","90","","90","","2576","4","","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trinitro nitronic ester","","","- C10 H12 N4 O8 -","- C10 N4 O8 -","- C80 N32 O64 -","8","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.047","","","","0.097","","","","","","","","","","has coordinates","248317","2020-10-21","18:00:00",""
"1557357","10.2315","0.0019","22.51","0.004","31.197","0.006","90","","90","","90","","7185","2","100","1","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Cl2 N O P2 Ru S -","- C40 H39 Cl2 N O P2 Ru S -","- C320 H312 Cl16 N8 O8 P16 Ru8 S8 -","8","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0394","0.0299","","","0.0698","0.0734","","","","","","1.167","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557366","8.304","0.002","15.842","0.003","33.4","0.008","90","","90","","90","","4393.8","1.7","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,8,11,14-tetrathia[9]helicene","","","- C30 H14 S4 -","- C30 S4 -","- C240 S32 -","8","1","","Larsen, Jan; Dolbecq, Anne; Bechgaard, Klaus","Thiaheterohelicenes. 3. Donor Properties of a Series of Benzene-Capped Thiaheterohelicenes. Structure of a Tetrathianonahelicene and its TCNQ Salt","Acta Chemica Scandinavica","1996","50","","83","89","10.3891/acta.chem.scand.50-0083","","x-ray","0.71069","MoKα","","","0.052","","","0.073","","","","","","","","","","","has coordinates","248368","2020-10-21","18:00:00",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","248737","2020-10-21","18:00:00",""
"1557452","24.13916","0.00017","18.9021","0.00013","26.08922","0.00018","90","","90","","90","","11904","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 Cl8 Ga2 N3 P -","- C54 H72 Cl8 Ga2 N3 P -","- C432 H576 Cl64 Ga16 N24 P8 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1232","0.1251","","","","","","1.03","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","249120","2020-10-21","18:00:00",""
"1557576","16.214","0.003","17.3","0.003","18.967","0.004","90","","90","","90","","5320.3","1.8","","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis(dibenzoylmethanate)dichlorotitanium(IV)","","","- C30 H22 Cl2 O4 Ti -","- C30 Cl2 O4 Ti -","- C240 Cl16 O32 Ti8 -","8","1","","Matilainen, Leena; Mutikainen, Ilpo; Leskela, Markku","Group 4 Metal Alkoxo Complexes as Catalysts for Olefin Polymerization: Synthesis and Crystal Structure of Bis(dibenzoylmethanate)dichlorotitanium(IV)","Acta Chemica Scandinavica","1996","50","","755","758","10.3891/acta.chem.scand.50-0755","","x-ray","0.71073","MoKα","","0.1742","0.0889","","","0.1821","0.2394","","","","","","0.918","","","","has coordinates","249279","2020-10-21","18:00:00",""
"1557662","11.5309","0.0004","7.674","0.0003","21.8978","0.0014","90","","90","","90","","1937.7","0.16","100.2","1","100.2","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 B N O3 -","- C9 H12 B N O3 -","- C72 H96 B8 N8 O24 -","8","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0883","0.076","","","0.2048","0.2302","","","","","","1.0643","","","","has coordinates","249761","2020-10-21","18:00:00",""
"1557764","18.0482","0.0003","18.05071","0.00019","34.8012","0.0005","90","","90","","90","","11337.6","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H39 B F20 N2 -","- C64 H39 B F20 N2 -","- C512 H312 B8 F160 N16 -","8","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0453","0.0402","","","0.1068","0.1109","","","","","","1.046","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557788","8.3415","0.0004","10.1215","0.0004","25.9996","0.0012","90","","90","","90","","2195.11","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 I N2 O2 -","- C10 H14 I N2 O2 -","- C80 H112 I8 N16 O16 -","8","1","","Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej","Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c00743","","","0.71073","MoKα","","0.0225","0.0172","","","0.0551","0.0694","","","","","","1.301","","","","has coordinates","250737","2020-10-21","18:00:00",""
"1557871","18.383","0.0016","13.3271","0.0012","20.1022","0.0018","90","","90","","90","","4924.9","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 Cl2 N O4 -","- C26 H25 Cl2 N O4 -","- C208 H200 Cl16 N8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0437","0.0384","","","0.1025","0.1076","","","","","","1.033","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557877","15.289","0.003","15.602","0.004","17.96","0.003","90","","90","","90","","4284.2","1.6","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-methy1-2,4,6-triphenylpyridinium perchlorate","","","- C24 H20 Cl N O4 -","- C24 Cl N O4 -","- C192 Cl8 N8 O32 -","8","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.0886","0.0586","","","0.1565","0.1902","","","","","","","","","","has coordinates","251073","2020-10-21","18:00:00",""
"1557898","13.0883","0.0002","14.8329","0.0003","19.5325","0.0003","90","","90","","90","","3791.99","0.11","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution","Chemical Science","2020","11","19","5037","5042","10.1039/D0SC01572E","","x-ray","0.71073","MoKα","","0.0792","0.0623","","","0.1908","0.2051","","","","","","1.129","","","","has coordinates,has disorder","257329","2020-10-21","18:00:00",""
"1557907","16.4161","0.0009","12.4001","0.0008","25.3104","0.0017","90","","90","","90","","5152.2","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 N3 O2 -","- C29 H37 N3 O2 -","- C232 H296 N24 O16 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.094","0.0484","","","0.0932","0.1093","","","","","","1.017","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557920","18.922","0.004","21.706","0.004","8.512","0.004","90","","90","","90","","3496.1","1.9","","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate","","","- C10 H30 Cl4 N4 O2 -","- C10 Cl4 N4 O2 -","- C80 Cl32 N32 O16 -","8","1","","Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Sotofte, Inger","Synthesis and Crystal Structure of a Spiro Amine: 3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate","Acta Chemica Scandinavica","1995","49","","564","570","10.3891/acta.chem.scand.49-0564","","x-ray","0.71073","MoKα","","","0.056","","","0.049","","","","","","","1.12","","","","has coordinates","251188","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558040","13.843","0.0005","23.5705","0.0009","33.4177","0.0011","90","","90","","90","","10903.7","0.7","99.94","0.15","99.94","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 F8 N2 O4 -","- C65 H51 Cl3 F8 N2 O4 -","- C520 H408 Cl24 F64 N16 O32 -","8","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.1166","0.0874","","","0.1948","0.2125","","","","","","1.051","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558099","17.8715","0.0003","22.5218","0.0004","24.946","0.0005","90","","90","","90","","10040.7","0.3","123","1","123","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H82 Co Li N2 O7 P4 -","- C43 H82 Co Li N2 O7 P4 -","- C344 H656 Co8 Li8 N16 O56 P32 -","8","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0503","0.0459","","","0.1223","0.1273","","","","","","1.066","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558259","15.1904","0.0002","15.2935","0.0003","23.3304","0.0004","90","","90","","90","","5419.99","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Co N4 O2 -","- C34 H26 Co N4 O2 -","- C272 H208 Co8 N32 O16 -","8","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0469","0.0355","","","0.0957","0.1006","","","","","","1.033","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","253063","2020-10-21","18:00:00",""
"1558295","16.7522","0.0018","14.5415","0.0015","25.718","0.003","90","","90","","90","","6265","1.2","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Eu F6 N8 O6 P -","- C27 H26 Eu F6 N8 O6 P -","- C216 H208 Eu8 F48 N64 O48 P8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0283","0.0228","","","0.0534","0.0565","","","","","","1.026","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558327","10.1805","0.0007","22.3462","0.0015","31.76","0.002","90","","90","","90","","7225.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Ir N2 P2 -","- C38 H55 Ir N2 P2 -","- C304 H440 Ir8 N16 P16 -","8","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0534","0.0335","","","0.0609","0.068","","","","","","1.076","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558409","15.289","0.003","21.392","0.004","17.834","0.003","90","","90","","90","","5832.8","1.9","","","122","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(tacn-mu-N)(daes-mu2-N1,N2)Co(tacn)](ClO4.H2O)","","","- C16 H41 Cl3 Co2 N8 O13 S -","- C16 Cl3 Co2 N8 O13 S -","- C128 Cl24 Co16 N64 O104 S8 -","8","1","","Kofod, Pauli; Larsen, Erik; Larsen, Sine; Wang, Dong-Ni; Springborg, Johan; Paulsen, Gudrun B.","Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and 3-Thiapentane-1,5-diamine","Acta Chemica Scandinavica","1994","48","","283","289","10.3891/acta.chem.scand.48-0283","","x-ray","0.71069","MoKα","","","0.028","","","0.038","","","","","","","0.9","","","","has coordinates","253397","2020-10-21","18:00:00",""
"1558454","18.2569","0.0017","25.817","0.002","27.739","0.003","90","","90","","90","","13074","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H36 B F24 N4 Na -","- C72 H36 B F24 N4 Na -","- C576 H288 B8 F192 N32 Na8 -","8","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.145","0.1096","","","0.2315","0.25","","","","","","1.156","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558503","20.351","0.003","14.773","0.003","9.3588","0.0014","90","","90","","90","","2813.7","0.8","","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Diethyl 1,2,3,4-Tetrathiepane-6,6-dicarboxylate","","","- C9 H14 O4 S4 -","- C9 O4 S4 -","- C72 O32 S32 -","8","1","","Larsen, Sine; Teuber, Lene","Crystal Structure of Diethyl 1,2,3,4-Tetrathiepane-6,6-dicarboxylate and Structural Aspects of S4-Containing Ring Systems","Acta Chemica Scandinavica","1994","48","","652","656","10.3891/acta.chem.scand.48-0652","","x-ray","1.54184","CuKα","","","0.06","","","0.087","","","","","","","2.2","","","","has coordinates","254018","2020-10-21","18:00:00",""
"1558511","11.7351","0.0011","15.9629","0.0019","21.44","0.003","90","","90","","90","","4016.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F4 Te -","- C19 H25 B F4 Te -","- C152 H200 B8 F32 Te8 -","8","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","x-ray","0.71073","MoKα","","0.0823","0.0669","","","0.168","0.1889","","","","","","1.075","","","","has coordinates,has disorder","254042","2020-10-21","18:00:00",""
"1558577","15.028","0.003","10.71","0.002","16.779","0.003","90","","90","","90","","2700.6","0.9","","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydroxy cycloadduct","","","- C13 H13 N3 O7 -","- C13 N3 O7 -","- C104 N24 O56 -","8","1","","Calvert, Jane L.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXI. The Regiochemistry of Nitrito‒Trinitromethyl and Nitro‒Trinitromethyl Addition to 2,6-Dimethylnaphthalene","Acta Chemica Scandinavica","1994","48","","917","928","10.3891/acta.chem.scand.48-0917","","x-ray","0.71069","MoKα","","","0.073","","","","0.166","","","","","","","","","","has coordinates","254231","2020-10-21","18:00:00",""
"1558601","8.205","0.001","15.631","0.002","24.426","0.001","90","","90","","90","","3132.7","0.6","","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","[CrL1Cl]2","","","- C32 H36 Cl2 Cr2 N4 O4 -","- C32 Cl2 Cr2 N4 O4 -","- C128 Cl8 Cr8 N16 O16 -","4","0.5","","Bottcher, Arnd; Elias, Horst; Glerup, Jorgen; Neuburger, Markus; Olsen, Carl Erik; Springborg, Johan; Weihe, Hogni; Zehnder, Margareta","Synthesis, Structure and Magnetic Properties of Mono- and Dinuclear Chromium(III) Complexes with Tetrahydrosalen and Substituted Tetrahydrosalen Derivatives as Ligands. Crystal Structure of a Phenoxo-Bridged Dichromium(III) Complex","Acta Chemica Scandinavica","1994","48","","981","988","10.3891/acta.chem.scand.48-0981","","x-ray","1.5418","CuKα","","","0.0394","","","0.0431","","","","","","","","","","","has coordinates","254341","2020-10-21","18:00:00",""
"1558615","15.72214","0.00017","19.9433","0.0002","20.9335","0.0003","90","","90","","90","","6563.73","0.13","150","0.3","150","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H42 N4 O4 -","- C39 H42 N4 O4 -","- C312 H336 N32 O32 -","8","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0903","0.0948","","","","","","1.024","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558765","10.096","0.003","18.272","0.009","28.341","0.002","90","","90","","90","","5228","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B Cl N P2 Rh -","- C22 H42 B Cl N P2 Rh -","- C176 H336 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.025","0.0226","","","0.0562","0.0578","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558821","16.905","0.0016","18.2916","0.0017","24.694","0.002","90","","90","","90","","7635.9","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C92 H104 K2 O14 -","- C92 H104 K2 O14 -","- C368 H416 K8 O56 -","4","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.1086","0.0698","","","0.1308","0.1455","","","","","","1.089","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558839","15.4998","0.0006","25.3392","0.0011","27.2058","0.0008","90","","90","","90","","10685.1","0.7","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Br6 N8 O6 Zn3 -","- C44 H48 Br6 N8 O6 Zn3 -","- C352 H384 Br48 N64 O48 Zn24 -","8","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.1292","0.0708","","","0.1452","0.1698","","","","","","1.052","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558894","25.6854","0.001","20.829","0.0009","40.6993","0.0018","90","","90","","90","","21774.2","1.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 H151 Cr2 N9 O6 P4 -","- C112 H150 Cr2 N9 O6 P4 -","- C896 H1200 Cr16 N72 O48 P32 -","8","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","0.71073","MoKα","","0.2201","0.0827","","","0.1721","0.2301","","","","","","0.979","","","","has coordinates","255569","2020-10-21","18:00:00",""
"1558951","7.959","0.005","8.972","0.001","18.59","0.006","90","","90","","90","","1327.5","0.9","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","trans-[PtCl2(1,4-thioxane)2]","","","- C8 H16 Cl2 O2 Pt S2 -","- C8 Cl2 O2 Pt S2 -","- C32 Cl8 O8 Pt4 S8 -","4","0.5","","Bugarcic, Zivadin; Lovqvist, Karin; Oskarsson, Ake","Cis‒Trans Influences in Pt Complexes. Crystal Structures of cis-[PtCl2(1,4-thioxane)2] and trans-[PtCl2(1,4-thioxane)2]","Acta Chemica Scandinavica","1993","47","","554","559","10.3891/acta.chem.scand.47-0554","","x-ray","0.71069","MoKα","","","0.031","","","0.038","","","","","","","1.22","","","","has coordinates","255779","2020-10-21","18:00:00",""
"1559044","8.939","0.004","10.618","0.0017","38.547","0.005","90","","90","","90","","3658.7","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl N2 Pd -","- C22 H19 Cl N2 Pd -","- C176 H152 Cl8 N16 Pd8 -","8","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0362","0.0361","","","0.1052","0.1053","","","","","","1.011","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559068","25.282","0.002","11.318","0.002","8.765","0.002","90","","90","","90","","2508","0.8","","","291","","","","","","","","","6","P b c a","-P 2ac 2ab","61","trans-Di(4-methylbenzenesulfonato)bis(1,3-diaminopropane)copper(II)","","","- C20 H34 Cu N4 O6 S2 -","- C20 Cu N4 O6 S2 -","- C80 Cu4 N16 O24 S8 -","4","0.5","","Sundberg, Markku R.; Sillanpaa, Reijo","Syn versus Anti Conformation in Monodentately Coordinated Sulfonate Groups. Crystal Structure Determination and MMX Force-Field Calculations for trans-Di(4-methylbenzenesulfonato)bis(1,3-diaminopropane)copper(II), C20H34CuN4O6S2","Acta Chemica Scandinavica","1993","47","","1173","1178","10.3891/acta.chem.scand.47-1173","","x-ray","0.71069","MoKα","","","0.05","","","0.048","","","","","","","","","","","has coordinates","256348","2020-10-21","18:00:00",""
"1559138","19.42866","0.00014","20.15442","0.00013","30.18361","0.00019","90","","90","","90","","11819.1","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70.18 H76.7 B Cu N6 O -","- C70.175 H76.7 B Cu N6 O -","- C561.4 H613.6 B8 Cu8 N48 O8 -","8","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0398","0.0356","","","0.0948","0.0976","","","","","","1.041","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559173","20.1829","0.0005","10.7314","0.0003","25.5707","0.0007","90","","90","","90","","5538.4","0.3","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Hradical","2-Hradical","","- C30.95 H39.55 N4 O2.33 -","- C30.954 H39.5516 N4 O2.3333 -","- C247.632 H316.413 N32 O18.6664 -","8","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","1.34138","GaKα","","0.0906","0.0669","","","0.1402","0.1505","","","","","","1.095","","","","has coordinates,has disorder","256692","2020-10-21","18:00:00",""
"1559196","21.5143","0.0008","11.8302","0.0004","26.8208","0.0011","90","","90","","90","","6826.4","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Cl Ir N O7 P -","- C32 H52 Cl Ir N O7 P -","- C256 H416 Cl8 Ir8 N8 O56 P8 -","8","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0243","0.0241","","","0.0542","0.0543","","","","","","1.246","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559232","28.094","0.004","10.58","0.003","14.62","0.001","90","","90","","90","","4345.6","1.4","","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(tacn)(aeaps)](ClO4)3","","","- C11 H29 Cl3 Co N5 O12 S -","- C11 Cl3 Co N5 O12 S -","- C88 Cl24 Co8 N40 O96 S8 -","8","1","","Kofod, Pauli; Larsen, Erik; Larsen, Sine; Petersen, Carsten H.; Springborg, Johan; Wang, Dong-Ni","A Werner-Type Alkyl Cobalt(III) Compound: Formation of a Carbon‒Cobalt Bond Demonstrated by 13C, 59Co NMR and X-Ray Structure Determinations","Acta Chemica Scandinavica","1992","46","","841","853","10.3891/acta.chem.scand.46-0841","","x-ray","0.71073","MoKα","","","0.042","","","0.059","","","","","","","1.6","","","","has coordinates","256886","2020-10-21","18:00:00",""
"1559233","18.169","0.005","15.824","0.004","13.888","0.004","90","","90","","90","","3992.9","1.9","","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(tacn)(C-aeaps)](ClO4)2","","","- C11 H28 Cl2 Co N5 O8 S -","- C11 Cl2 Co N5 O8 S -","- C88 Cl16 Co8 N40 O64 S8 -","8","1","","Kofod, Pauli; Larsen, Erik; Larsen, Sine; Petersen, Carsten H.; Springborg, Johan; Wang, Dong-Ni","A Werner-Type Alkyl Cobalt(III) Compound: Formation of a Carbon‒Cobalt Bond Demonstrated by 13C, 59Co NMR and X-Ray Structure Determinations","Acta Chemica Scandinavica","1992","46","","841","853","10.3891/acta.chem.scand.46-0841","","x-ray","0.71073","MoKα","","","0.074","","","0.096","","","","","","","2.1","","","","has coordinates","256887","2020-10-21","18:00:00",""
"1559251","8.2696","0.0004","12.384","0.0007","27.8702","0.0013","90","","90","0.004","90","","2854.2","0.3","299.83","0.1","299.83","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 -","- C30 H48 N4 -","- C120 H192 N16 -","4","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0797","0.0558","","","0.1408","0.1535","","","","","","1.026","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559258","11.188","0.001","17.106","0.004","16.226","0.003","90","","90","","90","","3105.4","1","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Di-mu-hydroxo-bis[bis(dimethyl sulfoxide)platinum(II)] Trifluoromethanesulfonate Dihydrate","","","- C5 H15 F3 O7 Pt S3 -","- C5 F3 O7 Pt S3 -","- C40 F24 O56 Pt8 S24 -","8","1","","Ericson, Vivika; Lovqvist, Karin; Noren, Bertil; Oskarsson, Ake","Packing Effects on Molecular Geometries of Platinum Complexes. Synthesis and Crystal Structures of Di-mu-hydroxo-bis[bis(dimethyl sulfoxide)platinum(II)] Tetrafluoroborate and Di-mu-hydroxo-bis[bis(dimethyl sulfoxide)platinum(II)] Trifluoromethanesulfonate Dihydrate","Acta Chemica Scandinavica","1992","46","","854","860","10.3891/acta.chem.scand.46-0854","","x-ray","0.71069","MoKα","","","0.045","","","0.064","","","","","","","1.01","","","","has coordinates","257171","2020-10-21","18:00:00",""
"1559269","16.077","0.01","18.242","0.011","18.253","0.011","90","","90","","90","","5353","6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B Ir P2 -","- C28 H44 B Ir P2 -","- C224 H352 B8 Ir8 P16 -","8","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0345","0.0218","","","0.0449","0.0486","","","","","","1.011","","","","has coordinates","257194","2020-10-21","18:00:00",""
"1559275","19.6105","0.0006","15.8275","0.0005","20.3903","0.0006","90","","90","","90","","6328.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N9 O6 -","- C29 H31 Co N9 O6 -","- C232 H248 Co8 N72 O48 -","8","1","","Mondal, Amit Kumar; Mondal, Arpan; Konar, Sanjit","Slow Magnetic Relaxation in a One-Dimensional Coordination Polymer Constructed from Hepta-Coordinate Cobalt(II) Nodes","Magnetochemistry","2020","6","4","45","","10.3390/magnetochemistry6040045","","","0.71073","MoKα","","0.0812","0.0607","","","0.1813","0.197","","","","","","1.095","","","","has coordinates","258173","2020-10-21","18:00:00",""
"1559281","20.0292","0.0016","18.4196","0.0014","22.4625","0.0016","90","","90","","90","","8287.1","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H48 F5 N5 Ni -","- C47 H48 F5 N5 Ni -","- C376 H384 F40 N40 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0968","0.05","","","0.124","0.1541","","","","","","1.035","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559283","20.0814","0.0016","18.4603","0.0014","22.7528","0.0018","90","","90","","90","","8434.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H49 F5 N4 Ni -","- C48 H49 F5 N4 Ni -","- C384 H392 F40 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0724","0.0463","","","0.1023","0.1166","","","","","","1.039","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559287","20.5349","0.001","18.6375","0.0009","22.7188","0.0012","90","","90","","90","","8694.9","0.8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 F6 N4 Ni -","- C48 H48 F6 N4 Ni -","- C384 H384 F48 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0815","0.0567","","","0.1233","0.1358","","","","","","1.09","","","","has coordinates,has disorder","258209","2020-10-21","18:00:00",""
"1559288","17.054","0.002","18.722","0.003","22.837","0.003","90","","90","","90","","7291.5","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 F2 N4 Ni -","- C42 H48 F2 N4 Ni -","- C336 H384 F16 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0891","0.0576","","","0.1478","0.1766","","","","","","1.051","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559295","10.0517","0.0003","11.6821","0.0006","12.7352","0.0007","90","","90","","90","","1495.43","0.12","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0599","0.044","","0.1028","0.0961","0.1028","","","","","","1.0478","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559320","19.517","0.002","18.7959","0.0018","22.58","0.003","90","","90","","90","","8283.2","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(BDI)Nb(NtBu)(NHtBu)(CCtBu)","(3,3-diemethylbut-1-ynylyl)-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C43 H69 N4 Nb -","- C43 H69 N4 Nb -","- C344 H552 N32 Nb8 -","8","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0559","0.0447","","","0.0918","0.097","","","","","","1.051","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559365","19.212","0.0005","15.4949","0.0005","20.0978","0.0005","90","","90","","90","","5982.9","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 N3 O8 -","- C30 H25 F6 N3 O8 -","- C240 H200 F48 N24 O64 -","8","1","","Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing","Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes","Chemical Science","2020","","","","","10.1039/D0SC04007J","","","0.71073","MoKα","","0.093","0.0561","","","0.1358","0.1645","","","","","","1.029","","","","has coordinates,has disorder","258436","2020-10-21","18:00:00",""
"1559390","15.62776","0.00016","16.52398","0.00016","18.67576","0.00019","90","","90","","90","","4822.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 B F4 N -","- C32 H22 B F4 N -","- C256 H176 B8 F32 N8 -","8","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0471","0.0402","","","0.1102","0.1153","","","","","","1.02","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559392","24.8883","0.0007","7.2668","0.0003","34.9364","0.0013","90","","90","","90","","6318.5","0.4","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 Si -","- C38 H34 N2 O2 Si -","- C304 H272 N16 O16 Si8 -","8","1","","Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan","Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium.","Analytical chemistry","2020","92","21","14838","14845","10.1021/acs.analchem.0c03709","","","0.71073","MoKα","","0.0805","0.0623","","","0.175","0.1898","","","","","","1.061","","","","has coordinates","258705","2020-11-04","01:18:52",""
"1559464","7.1801","0.0005","6.9197","0.0005","16.1154","0.0013","90","","90","","90","","800.68","0.1","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","PbS2O3","","","- O3 Pb S2 -","- O3 Pb S2 -","- O24 Pb8 S16 -","8","1","","Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.","The Crystal Structure of PbS2O3","Acta Chemica Scandinavica","1991","45","","469","473","10.3891/acta.chem.scand.45-0469","powder diffraction","neutron","1.5946","","","","","","","","","0.084","0.135","","","","","","","","has coordinates","258775","2020-11-06","09:08:00",""
"1559465","7.18","0.0001","6.9195","0.0001","16.1096","0.0002","90","","90","","90","","800.357","0.019","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","PbS2O3","","","- O3 Pb S2 -","- O3 Pb S2 -","- O24 Pb8 S16 -","8","1","","Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.","The Crystal Structure of PbS2O3","Acta Chemica Scandinavica","1991","45","","469","473","10.3891/acta.chem.scand.45-0469","powder diffraction","x-ray","1.23234","","","","","","","","","","0.081","","","","","","","","has coordinates","258776","2020-11-06","09:08:13",""
"1559488","17.606","0.005","9.76","0.003","9.693","0.002","90","","90","","90","","1665.6","0.8","","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","endo,exo-7,8-dihydroxy-exo-7-methyl-","","","- C8 H12 O4 -","- C8 H12 O4 -","- C64 H96 O32 -","8","1","","Laihia, Katri; Rissanen, Kari; Kolehmainen, Erkki; Korvola, Jorma; Leskinen, Kari","Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one. Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray Diffraction and Molecular Mechanics Calculations","Acta Chemica Scandinavica","1991","45","","499","507","10.3891/acta.chem.scand.45-0499","","x-ray","0.71073","MoKα","","","0.063","","","0.061","","","","","","","1.11","","","","has coordinates","259050","2020-11-09","09:04:07",""
"1559517","11.959","0.004","20.235","0.013","13.747","0.005","90","","90","","90","","3327","3","","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cd2[S2P(C2H5)2]4","","","- C16 H40 Cd2 P4 S8 -","- C16 Cd2 P4 S8 -","- C64 Cd8 P16 S32 -","4","0.5","","Svensson, Goran; Albertsson, Jorgen","On the Crystal Structure of Dithiophosphorus Compounds. The Crystal Structure of Pb[S2P(C2H5)2]2 at 293 K and Cd2[S2P(C2H5)2]4 at 173 K","Acta Chemica Scandinavica","1991","45","","820","827","10.3891/acta.chem.scand.45-0820","","x-ray","0.71069","MoKα","","","0.04","","","0.053","","","","","","","1.31","","","","has coordinates","259151","2020-11-16","09:56:08",""
"1559530","8.082","0.001","15.591","0.002","18.264","0.003","90","","90","","90","","2301.4","0.6","","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2,2-dibromo-1-phenylcyclopropyl)ethanoic acid","","","- C11 H10 Br2 O2 -","- C11 Br2 O2 -","- C88 Br16 O16 -","8","1","","Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian","Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes","Acta Chemica Scandinavica","1991","45","","902","913","10.3891/acta.chem.scand.45-0902","","x-ray","0.71069","MoKα","","","0.051","","","0.037","","","","","","","2.65","","","","has coordinates","259165","2020-11-18","10:29:29",""
"1559531","8.129","0.001","14.956","0.003","18.431","0.004","90","","90","","90","","2240.8","0.7","","","138","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2,2-dichloro-1-phenylcyclopropyl)ethanoic acid","","","- C11 H10 Cl2 O2 -","- C11 Cl2 O2 -","- C88 Cl16 O16 -","8","1","","Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian","Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes","Acta Chemica Scandinavica","1991","45","","902","913","10.3891/acta.chem.scand.45-0902","","x-ray","0.71069","MoKα","","","0.052","","","0.047","","","","","","","1.52","","","","has coordinates","259166","2020-11-18","10:29:49",""
"1559532","9.263","0.002","11.423","0.002","20.091","0.003","90","","90","","90","","2125.9","0.7","","","138","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-bromomethyl-1,1-dichloro-2-phenylcyclopropane","","","- C10 H9 Br Cl2 -","- C10 Br Cl2 -","- C80 Br8 Cl16 -","8","1","","Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian","Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes","Acta Chemica Scandinavica","1991","45","","902","913","10.3891/acta.chem.scand.45-0902","","x-ray","0.71069","MoKα","","","0.048","","","0.05","","","","","","","1.81","","","","has coordinates","259167","2020-11-18","10:30:02",""
"1559557","20.0054","0.0014","24.0516","0.0017","27.5739","0.0019","90","","90","","90","","13267.5","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 O28 Si14 Zr2 -","- C96 H184 O28 Si14 Zr2 -","- C384 H736 O112 Si56 Zr8 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0536","0.0345","","","0.0775","0.0878","","","","","","1.022","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559558","18.563","0.004","22.017","0.004","26.445","0.005","90","","90","","90","","10808","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H156 Hf2 O28 Si14 -","- C68 H156 Hf2 O28 Si14 -","- C272 H624 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.1111","0.0503","","","0.107","0.1295","","","","","","0.999","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559559","20.061","0.004","24.064","0.005","27.568","0.005","90","","90","","90","","13308","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 Hf2 O28 Si14 -","- C96 H184 Hf2 O28 Si14 -","- C384 H736 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0341","0.0243","","","0.0558","0.0617","","","","","","1.066","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559587","18.4407","0.0004","23.6412","0.0005","21.238","0.0005","90","","90","","90","","9258.9","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H60 Au B N2 O -","- C54 H60 Au B N2 O -","- C432 H480 Au8 B8 N16 O8 -","8","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0482","0.0303","","","0.053","0.057","","","","","","1.021","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559639","21.3021","0.001","7.7181","0.0004","23.5444","0.0012","90","","90","","90","","3871","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0881","0.0549","","","0.1293","0.1547","","","","","","1.027","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559760","13.4226","0.0006","7.6316","0.0004","22.4832","0.0011","90","","90","","90","","2303.09","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0543","0.0413","","","0.0977","0.1046","","","","","","1.047","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559844","9.2496","0.0004","10.5381","0.0004","21.9181","0.0008","90","","90","","90","","2136.43","0.15","100","2","99.86","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 B P -","- C10 H20 B P -","- C80 H160 B8 P8 -","8","1","","Resendiz-Lara, Diego A.; Annibale, Vincent T.; Knights, Alastair W.; Chitnis, Saurabh S.; Manners, Ian","High Molar Mass Poly(alkylphosphinoboranes) via Iron-Catalyzed Dehydropolymerization","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02082","","","0.71073","MoKα","","0.052","0.0387","","","0.099","0.1063","","","","","","1.043","","","","has coordinates","260072","2020-12-22","00:38:14",""
"1559845","21.6511","0.0004","21.3564","0.0004","22.0916","0.0004","90","","90","","90","","10214.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C189 H28 S10 Th2 -","- C189 H28 S10.008 Th2 -","- C756 H112 S40.032 Th8 -","4","0.5","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.0305","0.0289","","","0.0748","0.0761","","","","","","1.06","","","","has coordinates,has disorder","267091","2021-07-05","16:56:32",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","260119","2020-12-23","06:30:58",""
"1559899","16.7736","0.0004","21.5283","0.0005","22.2754","0.0005","90","","90","","90","","8043.8","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C26 H44 N22 O4 S4 -","- C26 H44 N22 O4 S4 -","- C208 H352 N176 O32 S32 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0716","0.0658","","","0.1926","0.1973","","","","","","1.038","","","","has coordinates,has disorder","260352","2021-01-02","01:34:58",""
"1560004","16.455","0.0009","16.291","0.0008","22.0025","0.0012","90","","90","","90","","5898.2","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl3 N2 P3 Zr -","- C24 H38 Cl3 N2 P3 Zr -","- C192 H304 Cl24 N16 P24 Zr8 -","8","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0307","0.022","","","0.0503","0.054","","","","","","1.05","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560079","11.8585","0.0009","10.3783","0.0007","22.8559","0.0016","90","","90","","90","","2812.9","0.3","296","2","296.23","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C152 H96 F8 N8 O8 -","8","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.076","0.0459","","","0.1022","0.1179","","","","","","1.041","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560201","16.2129","0.0007","16.8046","0.0007","17.8201","0.0008","90","","90","","90","","4855.1","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Cl2 Cu N4 P3 -","- C15 H39 Cl2 Cu N4 P3 -","- C120 H312 Cl16 Cu8 N32 P24 -","8","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0222","0.0197","","","0.0516","0.0531","","","","","","1.056","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560221","20.20265","0.0001","16.84883","0.00009","20.7566","0.00009","90","","90","","90","","7065.36","0.06","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H43 Cl5 N P2 Ta -","- C33 H43 Cl5 N P2 Ta -","- C264 H344 Cl40 N8 P16 Ta8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0231","0.0196","","","0.0461","0.0476","","","","","","1.027","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560227","15.652","0.0007","16.072","0.0007","22.3038","0.0012","90","","90","","90","","5610.7","0.5","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 O3 P2 W -","- C29 H36 O3 P2 W -","- C232 H288 O24 P16 W8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1058","0.0678","","","0.1097","0.1252","","","","","","1.076","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560232","15.65317","0.00006","16.11165","0.00008","22.26048","0.00009","90","","90","","90","","5614.06","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Mo O3 P2 -","- C29 H36 Mo O3 P2 -","- C232 H288 Mo8 O24 P16 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0201","0.0192","","","0.0447","0.0451","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560389","15.2176","0.0005","18.6531","0.0005","26.4674","0.0007","90","","90","","90","","7512.9","0.4","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C35 H19 Cl3 Cu F12 N4 O4 -","- C35 H19 Cl3 Cu F12 N4 O4 -","- C280 H152 Cl24 Cu8 F96 N32 O32 -","8","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","x-ray","0.71073","MoKα","","0.0797","0.0615","","","0.1558","0.1736","","","","","","1.03","","","","has coordinates","261970","2021-02-15","11:08:14",""
"1560453","13.7835","0.0005","12.1638","0.0005","15.233","0.0008","90","","90","","90","","2553.96","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0521","0.0321","","","0.0616","0.07","","","","","","1.018","","","","has coordinates","262038","2021-02-17","12:36:30",""
"1560480","11.9618","0.0003","16.8603","0.0004","23.0411","0.0006","90","","90","","90","","4646.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","n-Butyltin(IV) benzoate","","- C25 H24 O6 Sn -","- C25 H24 O6 Sn -","- C200 H192 O48 Sn8 -","8","1","","Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J.","Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification","Catalysis Science & Technology","2021","11","10","3326","3332","10.1039/D1CY00184A","","","0.71073","MoKα","","0.0478","0.0277","","","0.0497","0.0553","","","","","","1.049","","","","has coordinates","265830","2021-06-05","17:10:18",""
"1560564","21.1821","0.0003","11.4983","0.0001","21.5878","0.0003","90","","90","","90","","5257.88","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H28 Ag2 N4 O7 S2 -","- C21 H28 Ag2 N4 O7 S2 -","- C168 H224 Ag16 N32 O56 S16 -","8","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0862","0.0641","","","0.1517","0.1661","","","","","","1.037","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560683","8.2315","0.0005","8.5673","0.0005","22.5625","0.0012","90","","90","","90","","1591.15","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As4 Cl2 Mn7 O16 -","- As4 Cl2 Mn7 O16 -","- As16 Cl8 Mn28 O64 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0166","0.0156","","","0.0371","0.0375","","","","","","1.062","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560706","10.6982","0.0003","19.8473","0.0008","16.7642","0.0006","90","","90","","90","","3559.5","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","","- C19 H22 F N5 O -","- C19 H22 F N5 O -","- C152 H176 F8 N40 O8 -","8","1","BT4108","Andreev, Stanislav; Schollmeyer, Dieter; Koch, Pierre","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","IUCrData","2021","6","2","x210159","","10.1107/S2414314621001590","","","0.71073","MoKα","","0.1099","0.0689","","","0.1659","0.194","","","","","","1.141","","","","has coordinates,has Fobs","262301","2021-02-27","06:14:57",""
"1561022","14.392","0.006","27.158","0.011","28.376","0.011","90","","90","","90","","11091","8","293","2","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C42 H29 Ba2 Cu2 I Li2 N7 O15.5 -","- C42 H29 Ba2 Cu2 I Li2 N7 O15.5 -","- C336 H232 Ba16 Cu16 I8 Li16 N56 O124 -","8","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71073","MoKα","","0.0908","0.0749","","","0.1884","0.2077","","","","","","1.034","","","","has coordinates,has Fobs","263044","2021-03-15","09:16:09",""
"1561025","13.906","0.0002","14.3422","0.0002","37.8508","0.0005","90","","90","","90","","7549.06","0.18","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H48 Ca I2 N2 O7 Zn -","- C33 H48 Ca I2 N2 O7 Zn -","- C264 H384 Ca8 I16 N16 O56 Zn8 -","8","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0417","0.0353","","","0.089","0.0939","","","","","","1.057","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561092","19.2423","0.0012","10.9228","0.0005","26.3907","0.0012","90","","90","","90","","5546.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Br F3 -","- C31 H28 Br F3 -","- C248 H224 Br8 F24 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0974","0.0605","","","0.1241","0.1388","","","","","","1.062","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561096","23.7421","0.0008","21.8444","0.0006","8.6139","0.0002","90","","90","","90","","4467.4","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 B O -","- C27 H29 B O -","- C216 H232 B8 O8 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0551","0.0451","","","0.1163","0.1255","","","","","","1.077","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561218","14.932","0.003","17.072","0.003","21.282","0.004","90","","90","","90","","5425.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Co2 N3 O13.5 -","- C18 H13 Co2 N3 O8 -","- C144 H104 Co16 N24 O64 -","8","1","","Meng, Lingkun; Liu, Kang; Liang, Chen; Guo, Xiaolei; Han, Xu; Ren, Siyuan; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three 3D metal coordination polymers based on triazol-functionalized rigid ligand: Synthesis, topological structure and properties","Journal of Solid State Chemistry","2018","258","","56","63","10.1016/j.jssc.2017.09.023","","","0.71073","MoKα","","0.0433","0.0319","","","0.0725","0.0754","","","","","","1.069","","","","has coordinates","263256","2021-03-23","09:48:11",""
"1561271","13.086","0.003","10.706","0.002","19.48","0.004","90","","90","","90","","2729.1","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","1","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0866","0.0538","","","0.1277","0.1455","","","","","","1.039","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561421","9.5095","0.0014","19.84","0.003","21.035","0.003","90","","90","","90","","3968.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N5 O5 S -","- C16 H17 Cd N5 O5 S -","- C128 H136 Cd8 N40 O40 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun","Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties","Journal of Solid State Chemistry","2016","240","","9","15","10.1016/j.jssc.2016.05.005","","","0.71073","MoKα","","0.0546","0.0299","","","0.0637","0.0749","","","","","","0.998","","","","has coordinates","263525","2021-04-01","08:53:56",""
"1561561","14.5952","0.0009","14.5216","0.0011","21.1317","0.0013","90","","90","","90","","4478.8","0.5","293.15","","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B Cd N10 O3 -","- C19 H22 B Cd N10 O3 -","- C152 H176 B8 Cd8 N80 O24 -","8","1","","Liu, Min; Zhang, De-Xiang; Chen, Shumei; Wen, Tian","Loading Ag nanoparticles on Cd(II) boron imidazolate framework for photocatalysis","Journal of Solid State Chemistry","2016","237","","32","35","10.1016/j.jssc.2016.01.016","","","0.71073","MoKα","","0.0785","0.0591","","","0.1331","0.1444","","","","","","1.112","","","","has coordinates","263976","2021-04-08","08:08:21",""
"1561604","10.8233","0.0006","13.2009","0.0007","22.2516","0.0012","90","","90","","90","","3179.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H12 As Mn N3 S4 -","- C10 H12 As Mn N3 S4 -","- C80 H96 As8 Mn8 N24 S32 -","8","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan","Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties","Journal of Solid State Chemistry","2016","235","","183","192","10.1016/j.jssc.2016.01.003","","","0.71073","MoKα","","0.0274","0.02","","","0.0442","0.0465","","","","","","1.029","","","","has coordinates","264010","2021-04-09","08:13:37",""
"1561635","8.1123","0.0004","15.8713","0.0009","27.6155","0.0014","90","","90","","90","","3555.6","0.3","120","0.1","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","","- C22 H20 O3 -","- C22 H20 O3 -","- C176 H160 O24 -","8","1","HB4378","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","IUCrData","2021","6","4","x210356","","10.1107/S2414314621003564","","x-ray","0.71073","MoKα","","0.0612","0.0402","","","0.0973","0.1065","","","","1.5413","1.5413","1.4369","","","","has coordinates,has Fobs","264040","2021-04-10","05:22:17",""
"1561639","15.257","0.003","9.9205","0.0007","23.3519","0.0013","90","","90","","90","","3534.5","0.8","107","2","107","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0567","0.05","","","0.1299","0.1364","","","","","","1.048","","","","has coordinates","264044","2021-04-11","00:53:29",""
"1561640","7.7751","0.0002","11.2883","0.0002","41.1933","0.001","90","","90","","90","","3615.44","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0628","0.058","","","0.1437","0.1466","","","","","","1.072","","","","has coordinates,has disorder","264044","2021-04-11","00:53:29",""
"1561698","10.005","0.003","7.833","0.002","19.18","0.005","90","","90","","90","","1503.1","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu O10 Re2 -","- C6 H16 Cu O10 Re2 -","- C24 H64 Cu4 O40 Re8 -","4","0.5","","Mikhailova, D.; Engel, J.M.; Schmidt, M.; Tsirlin, A.A.; Ehrenberg, H.","Copper(II) perrhenate Cu(C3H7OH)2(ReO4)2: Synthesis from isopropanol and CuReO4, structure and properties","Journal of Solid State Chemistry","2015","232","","264","269","10.1016/j.jssc.2015.08.042","","","0.71073","MoKα","","0.1303","0.0355","","","0.0338","0.0429","","","","","","0.803","","","","has coordinates","264093","2021-04-13","11:39:53",""
"1561733","11.869","0.002","15.672","0.003","26.173","0.005","90","","90","","90","","4868.5","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H28 Cu3 N3 O S3 W -","- C14 H28 Cu3 N3 O S3 W -","- C112 H224 Cu24 N24 O8 S24 W8 -","8","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0653","0.0543","","","0.1108","0.1164","","","","","","1.197","","","","has coordinates","264131","2021-04-14","08:40:07",""
"1561867","10.0021","0.0004","9.601","0.004","10.67","0.0004","90","","90","","90","","1024.6","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga2 O5 Sr2 -","- Ga2 O5 Sr2 -","- Ga16 O40 Sr16 -","8","1","","Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela","High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14","Journal of Solid State Chemistry","2015","228","","27","35","10.1016/j.jssc.2015.04.016","","x-ray","0.71073","MoKα","","0.0263","0.0211","","","0.0503","0.0517","","","","","","1.166","","","","has coordinates","264251","2021-04-16","09:31:56",""
"1561887","12.708","0.0005","7.1786","0.0003","25.3307","0.001","90","","90","","90","","2310.81","0.16","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","","Wang, Yansong; Zhou, Zhimin","Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2015","228","","117","123","10.1016/j.jssc.2015.04.026","","","0.71073","MoKα","","0.035","0.0271","","","0.0658","0.0692","","","","","","1.061","","","","has coordinates","264292","2021-04-19","07:12:30",""
"1561966","7.2438","0.0003","10.0815","0.0004","49.0616","0.0017","90","","90","","90","","3582.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Li3 O25 W7 -","- As Li3 O25 W7 -","- As8 Li24 O200 W56 -","8","1","","Zhao, Pei; Mangir Murshed, M.; Huq, Ashfia; Grossmann, Henrike K.; Mädler, Lutz; Alekseev, Evgeny V.; Gesing, Thorsten M.","Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization","Journal of Solid State Chemistry","2015","226","","81","87","10.1016/j.jssc.2015.02.009","","","0.71073","MoKα","","0.0825","0.0552","","","0.133","0.1433","","","","","","1.141","","","","has coordinates","264371","2021-04-21","09:44:27",""
"1562068","15.122","0.002","9.3656","0.0014","20.29","0.003","90","","90","","90","","2873.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H7 Eu O11 -","- C12 H7 Eu O11 -","- C96 H56 Eu8 O88 -","8","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.0386","0.0237","","","0.0608","0.0669","","","","","","0.715","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562069","15.0789","0.0015","9.2997","0.0009","20.287","0.002","90","","90","","90","","2844.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H7 O11 Tb -","- C12 H7 O11 Tb -","- C96 H56 O88 Tb8 -","8","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.053","0.0298","","","0.0577","0.0619","","","","","","1.028","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562079","11.9116","0.0006","16.5708","0.0008","21.2554","0.001","90","","90","","90","","4195.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl N4 O2 Zn -","- C23 H17 Cl N4 O2 Zn -","- C184 H136 Cl8 N32 O16 Zn8 -","8","1","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0463","0.0335","","","0.0881","0.0948","","","","","","1.044","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562199","9.6198","0.0002","14.8828","0.0003","26.3832","0.0005","90","","90","","90","","3777.27","0.13","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ag2 N2 O6 S -","- C15 H24 Ag2 N2 O6 S -","- C120 H192 Ag16 N16 O48 S8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur","One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions","Journal of Solid State Chemistry","2014","220","","70","78","10.1016/j.jssc.2014.08.009","","","0.71073","MoKα","","0.1066","0.0509","","","0.1076","0.1357","","","","","","1.018","","","","has coordinates,has disorder","264627","2021-04-28","07:49:37",""
"1562208","11.2342","0.0003","18.4569","0.0007","19.1299","0.0006","90","","90","","90","","3966.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N3 Na O6 Zn -","- C18 H18 N3 Na O6 Zn -","- C144 H144 N24 Na8 O48 Zn8 -","8","1","","Zhang, Shu-Hua; Zhao, Ru-Xiao; Li, Gui; Zhang, Hai-Yang; Huang, Qiu-Ping; Liang, Fu-Pei","Room temperature syntheses, crystal structures and properties of two new heterometallic polymers based on 3-ethoxy-2-hydroxybenzaldehyde ligand","Journal of Solid State Chemistry","2014","220","","206","212","10.1016/j.jssc.2014.08.032","","","0.71073","MoKα","","0.0552","0.0382","","","0.0825","0.0903","","","","","","1.04","","","","has coordinates","264636","2021-04-28","09:24:31",""
"1562273","8.234","","9.655","","17.805","","90","","90","","90","","1415.48","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Cu2 H3 O10 P2 -","- B Cu2 H3 O10 P2 -","- B8 Cu16 H24 O80 P16 -","8","1","","Zhao, Long; Liu, Wei; Ma, Xiaohong; Cao, Lixin; Su, Ge; Lu, Zhisheng","The molten hydrated flux synthesis of a novel open-framework copper borophosphate and its structural relation with the precursors","Journal of Solid State Chemistry","2014","218","","10","14","10.1016/j.jssc.2014.06.008","","","0.71073","MoKα","","0.0701","0.0391","","","0.0705","0.0789","","","","","","1.088","","","","has coordinates","264690","2021-04-29","08:54:35",""
"1562298","17.998","0.0005","9.6252","0.0002","20.8083","0.0005","90","","90","","90","","3604.71","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","1","","Pooler, Daisy Rose Sherwood; Pierron, Robin; Crespi, Stefano; Costil, Romain; Pfeifer, Lukas; Léonard, Jérémie; Olivucci, Massimo; Feringa, Ben L.","Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor","Chemical Science","2021","","","","","10.1039/D1SC01105G","","","1.54178","CuKα","","0.0518","0.039","","","0.0926","0.1005","","","","","","1.031","","","","has coordinates","264709","2021-04-30","00:59:42",""
"1562325","12.77","0.005","9.622","0.004","17.956","0.007","90","","90","","90","","2206.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Uranium monophosphonate di(hydrogenphosphonate) monoaqua dihydrate","","- H11 O12 P3 U -","- O11.5 P3 U -","- O92 P24 U8 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0964","0.0502","","","0.1134","0.1321","","","","","","1.125","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562326","11.073","0.002","9.2876","0.0017","14.916","0.003","90","","90","","90","","1534","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dithallium dihydrogen disphosphate","","- H2 O7 P2 Tl2 -","- O7 P2 Tl2 -","- O56 P16 Tl16 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0493","0.0333","","","0.0532","0.0589","","","","","","0.995","","","","has coordinates","264724","2021-04-30","09:13:10",""
"1562352","12.736","0.0007","5.824","0.0003","22.5026","0.0013","90","","90","","90","","1669.12","0.16","173","2","173.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 F6 O2 -","- C18 H16 F6 O2 -","- C72 H64 F24 O8 -","4","0.5","","Lv, Jinghuang; Chen, Si; Xu, Zhenchuang; Zhang, Siquan; Li, Ya; Zhao, Yanchuan","Synthesis and Characterization of Diastereoisomeric Polyesters Derived from Bisphenols Bearing Vicinal Trifluoromethyl Groups","Macromolecules","2021","54","8","3716","3724","10.1021/acs.macromol.0c02762","","","1.34139","GaKα","","0.1165","0.0945","","","0.2571","0.286","","","","","","1.062","","","","has coordinates","264812","2021-05-04","00:32:25",""
"1562398","19.2454","0.0007","28.1544","0.0012","29.7705","0.001","90","","90","","90","","16130.9","1.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C95.25 H84.87 B4 N9.62 -","- C95.248 H84.872 B4 N9.624 -","- C761.984 H678.976 B32 N76.992 -","8","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.1349","0.0687","","","0.1662","0.2177","","","","","","1.011","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562416","14.212","0.003","6.005","0.001","23.945","0.003","90","","90","","90","","2043.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl-2,2'-bithienyl-5-carboxylate","","- C10 H8 O2 S2 -","- C10 H8 O2 S2 -","- C80 H64 O16 S16 -","8","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0481","0.0458","","","0.1266","0.1294","","","","","","1.071","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562441","12.0144","0.0019","21.218","0.003","27.968","0.004","90","","90","","90","","7129.6","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cd N4 O7 S -","- C31 H30 Cd N4 O7 S -","- C248 H240 Cd8 N32 O56 S8 -","8","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity","Journal of Solid State Chemistry","2014","213","","43","51","10.1016/j.jssc.2014.02.007","","","0.71073","MoKα","","0.1015","0.0775","","","0.1442","0.1549","","","","","","1.185","","","","has coordinates,has disorder","265063","2021-05-10","06:50:01",""
"1562473","9.7029","0.0004","13.367","0.0006","20.7482","0.0008","90","","90","","90","","2691.01","0.19","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Layered Bismuth Sulfate","","","- C6 H14 Bi N3 O11 S2 -","- C6 H14 Bi N3 O11 S2 -","- C48 H112 Bi8 N24 O88 S16 -","8","1","","Marri, Subba R.; Behera, J.N.","Synthesis, structure and photoluminescence properties of amine-templated open-framework bismuth sulfates","Journal of Solid State Chemistry","2014","210","1","15","21","10.1016/j.jssc.2013.10.032","","","0.71073","MoKα","","0.0273","0.0215","","","0.0531","0.0555","","","","","","1.054","","","","has coordinates","265089","2021-05-11","07:43:39",""
"1562592","16.435","0.003","9.0777","0.0018","24.428","0.005","90","","90","","90","","3644.5","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Co3 O18 -","- C12 H16 Co3 O18 -","- C96 H128 Co24 O144 -","8","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.0459","0.0378","","","0.0898","0.0936","","","","","","1.107","","","","has coordinates","265269","2021-05-17","08:06:05",""
"1562677","17.6424","0.0002","7.7315","0.0001","19.1592","0.0002","90","","90","","90","","2613.36","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Br3 N2 Pb -","- C7 H12 Br3 N2 Pb -","- C56 H96 Br24 N16 Pb8 -","8","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.105","0.106","","","","","","1.067","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562759","9.531","0.005","10.433","0.005","13.355","0.007","90","","90","","90","","1328","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Cs Cu2 S3 -","- As Cs Cu2 S3 -","- As8 Cs8 Cu16 S24 -","8","1","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Synthesis, structure and characterization of two new copper(І)-thioarsenates (ІІІ) constructed by the [AsS3]3− and CuSx units","Journal of Solid State Chemistry","2013","198","","289","294","10.1016/j.jssc.2012.08.039","","","0.71073","MoKα","","0.0408","0.0354","","","0.0885","0.0913","","","","","","1.022","","","","has coordinates","265403","2021-05-21","07:15:10",""
"1562877","17.477","0.0016","9.26","0.0008","20.7917","0.0019","90","","90","","90","","3364.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cd N4 O2 -","- C20 H12 Cd N4 O2 -","- C160 H96 Cd8 N32 O16 -","8","1","","Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing","Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes","Journal of Solid State Chemistry","2012","196","","332","340","10.1016/j.jssc.2012.06.018","","","0.71073","MoKα","","0.0529","0.0376","","","0.0859","0.0933","","","","","","1.048","","","","has coordinates","265503","2021-05-26","08:37:42",""
"1562951","11.9058","0.0007","8.9589","0.0006","15.019","0.0009","90","","90","","90","","1601.97","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di(aqua)bis(pyridine)(fumarato)cobalt(II)","","- C14 H16 Co N2 O6 -","- C14 H16 Co N2 O6 -","- C56 H64 Co4 N8 O24 -","4","0.5","","Bora, Sanchay J.; Das, Birinchi K.","Synthesis and properties of a few 1-D cobaltous fumarates","Journal of Solid State Chemistry","2012","192","","93","101","10.1016/j.jssc.2012.03.009","","","0.71073","MoKα","","0.0318","0.0276","","","0.0739","0.0768","","","","","","1.104","","","","has coordinates","265580","2021-05-28","09:28:06",""
"1563092","28.1451","0.0014","28.482","0.0015","36.1611","0.0009","90","","90","","90","","28988","2","104","7","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cr7NiF8(O2CBu)16](ImCH2NH2(CH2)2C6H5)[Cu(O2C5HF6)2OCCH3]","","- C102 H162.41 Cr8 Cu F20 N3 O36.2 -","- C102 H162.378 Cr8 Cu F20 N3 O36.189 -","- C816 H1299.02 Cr64 Cu8 F160 N24 O289.512 -","8","1","","Lockyer, Selena; Chiesa, Alessandro; Timco, Grigore A.; Bennett, Thomas M.; Vitorica-Yrzebal, Inigo; McInnes, Eric J. L.; Carretta, Stefano; Winpenny, Richard E. P.","Targeting Molecular Quantum Memory with Embedded Error Correction","Chemical Science","2021","","","","","10.1039/D1SC01506K","","","1.54184","CuKα","","0.1015","0.0779","","","0.2275","0.2469","","","","","","1.116","","","","has coordinates,has disorder","265687","2021-06-03","01:09:28",""
"1563095","13.3284","0.0005","17.4801","0.0006","18.5447","0.0007","90","","90","","90","","4320.6","0.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Ge2 N6 S6 Sb2 -","- C6 H24 Ge2 N6 S6 Sb2 -","- C48 H192 Ge16 N48 S48 Sb16 -","8","1","","Powell, Anthony V.; Mackay, Rosalyn","Solvothermal synthesis of a bimetallic thiometallate containing germanium in two oxidation states","Journal of Solid State Chemistry","2011","184","12","3144","3149","10.1016/j.jssc.2011.09.032","","","0.71073","MoKα","","0.0372","0.0313","","0.0384","0.0347","0.0347","","","","","","0.9105","","","","has coordinates","265703","2021-06-03","07:19:08",""
"1563164","8.306","0.0001","15.1608","0.0002","22.8838","0.0003","90","","90","","90","","2881.66","0.06","294","3","294","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 O3 S -","- C18 H12 O3 S -","- C144 H96 O24 S8 -","8","1","","Chen, Junru; Chen, Xiaojie; Liu, Yanyan; Li, Yang; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","A color-tunable single-component luminescent molecule with multiple emission centers","Chemical Science","2021","","","","","10.1039/D1SC02094C","","x-ray","1.54184","CuKα","","0.0563","0.054","","","0.1348","0.1379","","","","","","1.084","","","","has coordinates","265818","2021-06-05","01:23:58",""
"1563319","15.5999","0.0004","7.8848","0.0003","25.8551","0.0008","90","","90","","90","","3180.23","0.18","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","SIT_100_150K","","","- C18 H18 Cl N O2 Os -","- C18 H18 Cl N O2 Os -","- C144 H144 Cl8 N8 O16 Os8 -","8","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0344","0.0213","","","0.0386","0.0424","","","","","","1.016","","","","has coordinates","266372","2021-06-11","01:02:14",""
"1563339","7.0849","0.0019","11.986","0.003","13.913","0.004","90","","90","","90","","1181.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Silver uranyl hydrogen tellurate","","","- Ag O7 Te U -","- Ag O7 Te U -","- Ag8 O56 Te8 U8 -","8","1","","Ling, Jie; Ward, Matthew; Burns, Peter C.","Hydrothermal syntheses and structures of the uranyl tellurates AgUO2(HTeO5) and Pb2UO2(TeO6)","Journal of Solid State Chemistry","2011","184","2","401","404","10.1016/j.jssc.2010.12.007","","","0.71073","MoKα","","0.0627","0.0404","","","0.0935","0.103","","","","","","1.02","","","","has coordinates","266394","2021-06-11","07:18:03",""
"1563346","17.818","0.004","17.818","","23.674","0.006","90","","90","","90","","7516","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N7 O15 Tb -","- C34 H34 N7 O15 Tb -","- C272 H272 N56 O120 Tb8 -","8","1","","Wang, Qing; Yan, Xuhuan; Zhang, Hongrui; Liu, Weisheng; Tang, Yu; Tan, Minyu","Crystal structures and luminescent properties of lanthanide nitrate coordination polymers with structurally related amide type bridging podands","Journal of Solid State Chemistry","2011","184","1","164","170","10.1016/j.jssc.2010.11.011","","","0.71073","MoKα","","0.0604","0.0304","","","0.0613","0.0727","","","","","","1.002","","","","has coordinates","266399","2021-06-11","07:53:50",""
"1563412","6.9422","0.0009","18.635","0.002","29.823","0.003","90","","90","","90","","3858.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C176 H216 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1247","0.0686","","","0.1574","0.1931","","","","","","1.03","","","","has coordinates","268627","2021-09-06","10:08:49",""
"1563497","17.1819","0.0002","13.6931","0.0001","21.4826","0.0002","90","","90","","90","","5054.29","0.08","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H18 N O23 U4 V3 -","- C4 N O23 U4 V3 -","- C32 N8 O184 U32 V24 -","8","1","","Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis","New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates","Journal of Solid State Chemistry","2010","183","10","2290","2297","10.1016/j.jssc.2010.07.035","","","0.71069","MoKα","","0.0816","0.0394","","","0.033","0.0375","","","","1.33","1.33","1.17","","","","has coordinates","266470","2021-06-15","08:24:10",""
"1563675","15.594","0.007","12.835","0.007","8.557","0.004","90","","90","","90","","1712.7","1.5","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H11 F5 -","- C8 H11 F5 -","- C64 H88 F40 -","8","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","0.71075","MoKα","","0.0684","0.0515","","","0.1316","0.1381","","","","","","0.955","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563759","20.0164","0.0007","30.0399","0.0005","36.915","0.0016","90","","90","","90","","22196.6","1.3","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","diiron(II) helicate of ditopic 4-imidazole-triazole ligand","Iron(II) helicate of 1,3-Bis(5-(1H-imidazol-4-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C72 H84 B4 F16 Fe2 N30 -","- C72 H84 B4 F16 Fe2 N30 -","- C576 H672 B32 F128 Fe16 N240 -","8","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.1224","0.0795","","","0.2127","0.2399","","","","","","0.999","","","","has coordinates,has disorder","266758","2021-06-29","01:34:33",""
"1563786","14.6293","0.0003","15.6671","0.0003","17.3579","0.0003","90","","90","","90","","3978.41","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Mn2 N2 O14 S -","- C11 H24 Mn2 N2 O14 S -","- C88 H192 Mn16 N16 O112 S8 -","8","1","","Zhang, Ying; Lin, Longzhen; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Organically templated metal sulfate-oxalates: Solvent-free synthesis, crystal structure, and proton conduction","Journal of Solid State Chemistry","2019","276","","1","5","10.1016/j.jssc.2019.04.031","","x-ray","1.54184","CuKα","","0.0583","0.0521","","","0.1408","0.1478","","","","","","1.023","","","","has coordinates,has disorder","266801","2021-06-30","07:08:41",""
"1563819","8.0175","0.0002","14.4611","0.0003","18.5612","0.0004","90","","90","","90","","2152.02","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","XU4044","Abou, Akoun; Bamba, Fanté; Marrot, Jérôme; Yaya, Soro; Coustard, Jean-Marie","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","IUCrData","2021","6","6","x210674","","10.1107/S241431462100674X","","","0.71073","MoKα","","0.0534","0.0414","","","0.113","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","266845","2021-07-01","05:29:24",""
"1563868","17.0179","0.0016","18.63","0.002","38.286","0.009","90","","90","","90","","12138","3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C81 H76 -","- C81 H76 -","- C648 H608 -","8","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","1.54184","CuKα","","0.1683","0.099","","","0.2441","0.2878","","","","","","1.06","","","","has coordinates,has disorder","266881","2021-07-02","01:04:16",""
"1563922","7.589","0.005","16.983","0.01","33.58","0.02","90","","90","","90","","4328","5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 Ru -","- C26 H22 O6 Ru -","- C208 H176 O48 Ru8 -","8","1","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.7107","MoKα","","0.0725","0.0572","","","0.1084","0.1169","","","","","","1.111","","","","has coordinates","266986","2021-07-05","08:41:15",""
"1563923","7.8763","0.0005","16.3099","0.0015","33.9368","0.0018","90","","90","","90","","4359.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O5 Ru -","- C26 H23 N O5 Ru -","- C208 H184 N8 O40 Ru8 -","8","1","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.71073","MoKα","","0.0978","0.0501","","","0.0954","0.1203","","","","","","1.057","","","","has coordinates","266987","2021-07-05","08:42:47",""
"1563933","10.1493","0.0007","8.2568","0.0007","21.3201","0.0013","90","","90","","90","","1786.6","0.2","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 I N2 -","- C9 H7 I N2 -","- C72 H56 I8 N16 -","8","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0559","0.0472","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates","266993","2021-07-05","10:14:46",""
"1564104","16.627","0.006","18.03","0.007","21.293","0.008","90","","90","","90","","6383","4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","","- C32 H24 B N10 Ni O4 -","- C32 H25 B N10 Ni O4 -","- C256 H200 B8 N80 Ni8 O32 -","8","1","BV4040","Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M.","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","IUCrData","2021","6","7","x210690","","10.1107/S2414314621006908","","x-ray","0.71073","MoKα","","0.0868","0.0479","","","0.1229","0.1464","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","267459","2021-07-10","04:52:59",""
"1564112","14.1963","0.0009","13.9701","0.0009","25.9354","0.0018","90","","90","","90","","5143.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 B6 O2 Ru2 -","- C20 H42 B6 O2 Ru2 -","- C160 H336 B48 O16 Ru16 -","8","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0971","0.078","","","0.1151","0.1209","","","","","","1.225","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564243","12.0479","0.0005","18.5786","0.0009","24.7785","0.0012","90","","90","","90","","5546.2","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-(3-Formyl-1,2-diphenyl-1H-indole-4,5-diyl)dibenzamide","","- C35 H25 N3 O3 -","- C35 H25 N3 O3 -","- C280 H200 N24 O24 -","8","1","","Devkota, Shreedhar; Kim, Suyeon; Yoo, Seok Yeol; Mohandoss, Sonaimuthu; Baik, Mu-Hyun; Lee, Yong Rok","Ruthenium(II)-catalyzed regioselective direct C4‒ and C5‒diamidation of indoles and mechanistic studies","Chemical Science","2021","","","","","10.1039/D1SC02138A","","","0.71073","MoKα","","0.0597","0.0497","","","0.125","0.1322","","","","","","1.04","","","","has coordinates","267711","2021-07-23","01:58:46",""
"1564247","9.667","0.002","15.857","0.005","42.991","0.008","90","","90","","90","","6590","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H32 O2 -","- C47 H32 O2 -","- C376 H256 O16 -","8","1","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone‒Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.1715","0.0604","","","0.1323","0.1909","","","","","","1.018","","","","has coordinates","267726","2021-07-23","23:44:48",""
"1564268","26.815","0.004","27.671","0.003","29.647","0.004","90","","90","","90","","21998","5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C138 H114 Cu2 N4 O4 -","- C138 H114 Cu2 N4 O4 -","- C1104 H912 Cu16 N32 O32 -","8","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0649","0.0462","","","0.1082","0.1192","","","","","","1.027","","","","has coordinates,has disorder","267840","2021-07-31","01:49:49",""
"1564336","12.1901","0.0007","10.4424","0.0006","26.468","0.0016","90","","90","","90","","3369.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 F N Si -","- C20 H20 F N Si -","- C160 H160 F8 N8 Si8 -","8","1","","Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan","Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement","Chemical Science","2021","","","","","10.1039/D1SC03487A","","","0.71073","MoKα","","0.0552","0.0409","","","0.1054","0.1122","","","","","","1.051","","","","has coordinates","267999","2021-08-09","22:31:59",""
"1564426","10.468","0.003","14.359","0.004","20.227","0.005","90","","90","","90","","3040.3","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cu N6 O8 -","- C12 H8 Cu N6 O8 -","- C96 H64 Cu8 N48 O64 -","8","1","","Bikas, Rahman; Valadbeigi, Younes; Otręba, Marta; Lis, Tadeusz","Mechanistic studies on the in-situ generation of furoxan ring during the formation of Cu(II) coordination compound from dioxime ligand: Theoretical and experimental study","Inorganica Chimica Acta","2020","510","","119756","","10.1016/j.ica.2020.119756","","","0.71073","MoKα","","0.0449","0.0378","","","0.1097","0.1127","","","","","","1.099","","","","has coordinates,has disorder","268253","2021-08-26","09:03:23",""
"1564452","16.9363","0.0017","14.7356","0.0015","24.274","0.003","90","","90","","90","","6058","1.1","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Cl2 Mn2 N18 O10 -","- C62 H54 Cl2 Mn2 N18 O10 -","- C248 H216 Cl8 Mn8 N72 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.71075","MoKα","","0.0496","0.046","","","0.1226","0.1265","","","","","","1.06","","","","has coordinates","268298","2021-08-30","11:19:11",""
"1564469","17.6596","0.0006","15.2619","0.0005","22.6001","0.0011","90","","90","","90","","6091.2","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Cl2 F2 Ir N4 O2 -","- C32 H25 Cl2 F2 Ir N4 O2 -","- C256 H200 Cl16 F16 Ir8 N32 O16 -","8","1","","Liu, Zhuo; Yang, Rui-Lian; Yang, Xiao-Han; Cao, Jing-Lan; Fan, Xu-Ru; Wu, Shui-Xing; Niu, Zhi-Gang; Li, Gao-Nan","New yellow-emitting iridium(III) complexes containing 2-phenyl-2H-indazole-based ligands for high efficient OLEDs with EQE over 25%","Inorganica Chimica Acta","2020","509","","119704","","10.1016/j.ica.2020.119704","","","0.71073","MoKα","","0.1486","0.0828","","","0.2219","0.2548","","","","","","0.999","","","","has coordinates","268313","2021-08-31","07:39:49",""
"1564502","7.625","0.004","16.759","0.008","32.601","0.016","90","","90","","90","","4166","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl2 N7 O6 Zn -","- C14 H19 Cl2 N7 O6 Zn -","- C112 H152 Cl16 N56 O48 Zn8 -","8","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0373","0.0322","","","0.0928","0.0971","","","","","","1.044","","","","has coordinates,has disorder","268346","2021-09-01","08:21:18",""
"1564506","10.2854","0.0017","39.205","0.006","11.94","0.002","90","","90","","90","","4814.7","1.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cu N8 O2 -","- C26 H22 Cu N8 O2 -","- C208 H176 Cu8 N64 O16 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.1536","0.0641","","","0.1269","0.1712","","","","","","1.025","","","","has coordinates","268348","2021-09-01","08:33:20",""
"1564537","15.18382","0.00011","13.64566","0.00009","16.30646","0.0001","90","","90","","90","","3378.59","0.04","300","0.1","300","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl2 Ir2 -","- C16 H24 Cl2 Ir2 -","- C128 H192 Cl16 Ir16 -","8","1","","Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna","Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.","The journal of physical chemistry. A","2021","125","34","7473","7488","10.1021/acs.jpca.1c05759","","x-ray","0.6889","synchrotron","","0.0235","0.0211","","","0.0661","0.0682","","","","","","0.9526","","","","has coordinates","268460","2021-09-04","01:10:41",""
"1564547","18.6012","0.0003","18.278","0.0003","29.0427","0.0006","90","","90","","90","","9874.3","0.3","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H81 N O19 Si V6 -","- C31 H81 N O19 Si V6 -","- C248 H648 N8 O152 Si8 V48 -","8","1","","Chakraborty, Sourav; Schreiber, Eric; Sanchez-Lievanos, Karla R.; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.; Matson, Ellen M.","Modelling local structural and electronic consequences of proton and hydrogen-atom uptake in VO2 with polyoxovanadate clusters","Chemical Science","2021","","","","","10.1039/D1SC02809J","","x-ray","1.54184","CuKα","","0.0822","0.0619","","","0.1761","0.2044","","","","","","1.094","","","","has coordinates,has disorder","268977","2021-09-06","22:12:06",""
"1564584","23.0878","0.001","26.4673","0.0014","27.3749","0.0014","90","","90","","90","","16728","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H110 N5 O16 Tb Zn2 -","- C76 H110 N5 O16 Tb Zn2 -","- C608 H880 N40 O128 Tb8 Zn16 -","8","1","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0751","0.0475","","","0.1077","0.1294","","","","","","1.154","","","","has coordinates,has disorder","269023","2021-09-07","09:35:23",""
"1564632","17.0836","0.0005","15.8683","0.0005","17.8681","0.0004","90","","90","","90","","4843.8","0.2","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 N3 Ni O5 -","- C25 H23 N3 Ni O5 -","- C200 H184 N24 Ni8 O40 -","8","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.121","0.0525","","","0.1032","0.1266","","","","","","1.001","","","","has coordinates","269129","2021-09-14","09:05:01",""
"1564637","18.3966","0.0006","21.9565","0.0007","22.9636","0.0007","90","","90","","90","","9275.6","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H61 F9 P2 Pd Si -","- C47 H61 F8.9997 P2 Pd Si -","- C376 H488 F71.9976 P16 Pd8 Si8 -","8","1","","Hurst, Michael R.; Zakharov, Lev N.; Cook, Amanda K.","The mechanism of oxidative addition of Pd(0) to Si‒H bonds: electronic effects, reaction mechanism, and hydrosilylation","Chemical Science","2021","","","","","10.1039/D1SC04419B","","","1.54178","CuKα","","0.0314","0.0274","","","0.069","0.0715","","","","","","1.033","","","","has coordinates,has disorder","269133","2021-09-14","22:10:17",""
"1564731","7.575","0.001","12.2799","0.0016","18.784","0.003","90","","90","","90","","1747.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SnImaltol","SnImaltol","","- C6 H5 I O3 Sn -","- C6 H5 I O3 Sn -","- C48 H40 I8 O24 Sn8 -","8","1","","Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi","Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment","Chemical Science","2021","","","","","10.1039/D1SC04221A","","","0.71073","MoKα","","0.0174","0.017","","","0.0347","0.0348","","","","","","1.351","","","","has coordinates","269325","2021-09-27","22:09:43",""
"1564765","14.2641","0.0003","19.0639","0.0004","22.615","0.0005","90","","90","","90","","6149.7","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Pd2 -","- C56 H76 Cl8 N4 Pd2 -","- C224 H304 Cl32 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0411","0.0286","","","0.0567","0.0628","","","","","","1.075","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564767","14.6417","0.0004","19.3275","0.0006","22.4789","0.0007","90","","90","","90","","6361.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Br4 Cl4 N4 Pd2 -","- C56 H76 Br4 Cl4 N4 Pd2 -","- C224 H304 Br16 Cl16 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0371","0.0304","","","0.0809","0.0849","","","","","","1.037","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564859","9.036","0.005","13.639","0.007","27.171","0.013","90","","90","","90","","3349","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 N3 O7 W -","- C9 H29 N3 O7 W -","- C72 H232 N24 O56 W8 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0351","0.026","","","0.0569","0.0607","","","","","","1.006","","","","has coordinates","269824","2021-10-07","07:25:05",""
"1564860","9.0217","0.0011","13.6776","0.0016","27.105","0.003","90","","90","","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 Mo N3 O7 -","- C9 H29 Mo N3 O7 -","- C72 H232 Mo8 N24 O56 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0426","0.0337","","","0.0821","0.0895","","","","","","1.042","","","","has coordinates","269825","2021-10-07","07:26:06",""
"1564925","27.8964","0.0002","22.2004","0.0001","29.7016","0.0002","90","","90","","90","","18394.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H20 Al2 As2 F72 Mo4 O16 Sb2 -","- C60 H20 Al2 As2 F72 Mo4 O16 Sb2 -","- C480 H160 Al16 As16 F576 Mo32 O128 Sb16 -","8","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","x-ray","0.71073","MoKα","","0.0436","0.0325","","","0.0786","0.0831","","","","","","1.031","","","","has coordinates,has disorder","269952","2021-10-14","22:14:07",""
"1564958","13.5519","0.0008","19.3693","0.001","22.7518","0.0013","90","","90","","90","","5972.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeII(14-S~4~)(MeCN)2]FeI4","","","- C16 H29 Fe2 I4 N3 S4 -","- C16 H29 Fe2 I4 N3 S4 -","- C128 H232 Fe16 I32 N24 S32 -","8","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0381","0.0259","","","0.0507","0.0541","","","","","","1.066","","","","has coordinates","275781","2022-06-06","01:45:46",""
"1565033","17.8371","0.0008","16.1543","0.0008","22.5723","0.0011","90","","90","","90","","6504.1","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Cl N4 O4 -","- C36 H45 Cl N4 O4 -","- C288 H360 Cl8 N32 O32 -","8","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","0.71073","MoKα","","0.0585","0.0393","","","0.0924","0.1056","","","","","","1.051","","","","has coordinates","270055","2021-10-21","08:09:13",""
"1565068","17.3541","0.0004","20.334","0.0005","45.6601","0.0019","90","","90","","90","","16112.5","0.9","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H102 Al2 N4 O5 Re -","- C76 H102 Al2 N4 O5 Re -","- C608 H816 Al16 N32 O40 Re8 -","8","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.0741","0.0535","","","0.1482","0.1669","","","","","","1.039","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565072","45.706","0.002","17.2177","0.0017","20.3938","0.0017","90","","90","","90","","16049","2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80.5 H115 Al2 N4 O5 Re -","- C80.5 H115 Al2 N4 O5 Re -","- C644 H920 Al16 N32 O40 Re8 -","8","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.1069","0.0766","","","0.1503","0.1662","","","","","","1.15","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565166","11.295","0.0008","25.1086","0.0018","39.682","0.003","90","","90","","90","","11253.9","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Sm2 -","- C132 H92 N18 O19 Sm2 -","- C528 H368 N72 O76 Sm8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0453","0.0315","","","0.0733","0.0802","","","","","","1.013","","","","has coordinates","270569","2021-11-10","10:25:39",""
"1565167","11.2768","0.0011","25.121","0.003","39.622","0.004","90","","90","","90","","11224","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Eu2 N18 O19 -","- C132 H92 Eu2 N18 O19 -","- C528 H368 Eu8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0775","0.0403","","","0.0879","0.1046","","","","","","0.987","","","","has coordinates","270570","2021-11-10","10:26:56",""
"1565168","11.2588","0.0013","25.123","0.003","39.559","0.004","90","","90","","90","","11189","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Gd2 N18 O19 -","- C132 H92 Gd2 N18 O19 -","- C528 H368 Gd8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1152","0.0563","","","0.0991","0.1178","","","","","","1.001","","","","has coordinates","270571","2021-11-10","10:28:12",""
"1565169","11.211","0.002","24.948","0.005","39.487","0.007","90","","90","","90","","11044","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Tb2 -","- C132 H88 N18 O19 Tb2 -","- C528 H352 N72 O76 Tb8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1281","0.1096","","","0.2156","0.2233","","","","","","1.338","","","","has coordinates","270572","2021-11-10","10:30:20",""
"1565200","9.6838","0.0006","10.2466","0.0006","30.956","0.002","90","","90","","90","","3071.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cd O7 -","- C14 H16 Cd O7 -","- C112 H128 Cd8 O56 -","8","1","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0954","0.0482","","","0.0826","0.1063","","","","","","1.084","","","","has coordinates","270618","2021-11-12","09:55:56",""
"1565211","20.6993","0.001","15.1138","0.0009","26.913","0.002","90","","90","","90","","8419.6","0.9","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Cl Cu2 N3 O13 -","- C45 H42 Cl Cu2 N3 O13 -","- C360 H336 Cl8 Cu16 N24 O104 -","8","1","","Kumar Mudi, Prafullya; Bandopadhyay, Nilaj; Joshi, Mayank; Shit, Madhusudan; Paul, Suvendu; Roy Choudhury, Angshuman; Biswas, Bhaskar","Schiff base triggering synthesis of copper(II) complex and its catalytic fate towards mimics of phenoxazinone synthase activity","Inorganica Chimica Acta","2020","505","","119468","","10.1016/j.ica.2020.119468","","x-ray","0.71073","MoKα","","0.1184","0.0685","","","0.1711","0.2393","","","","","","1.052","","","","has coordinates","270647","2021-11-15","08:53:16",""
"1565303","15.5879","0.0005","7.0707","0.0002","27.3859","0.0009","90","","90","","90","","3018.4","0.16","","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cu2 N8 O2 S2 -","- C30 H24 Cu2 N8 O2 S2 -","- C120 H96 Cu8 N32 O8 S8 -","4","0.5","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0443","0.0404","","","0.106","0.1101","","","","","","1.0988","","","","has coordinates,has disorder","270725","2021-11-17","09:41:16",""
"1565341","11.8079","0.0013","20.321","0.0016","23.0739","0.0014","90","","90","","90","","5536.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H24 Cl2 Hg N4 -","- C33 H24 Cl2 Hg N4 -","- C264 H192 Cl16 Hg8 N32 -","8","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.1044","0.0772","","","0.116","0.1236","","","","","","1.305","","","","has coordinates","270796","2021-11-22","10:10:37",""
"1565385","14.2979","0.0004","14.0607","0.0003","16.3174","0.0004","90","","90","","90","","3280.43","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl4 N2 S -","- C16 H12 Cl4 N2 S -","- C128 H96 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.04","0.0399","","","0.0977","0.0977","","","","","","1.108","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565390","18.8339","0.0003","8.7397","0.0001","25.4167","0.0003","90","","90","","90","","4183.66","0.1","293.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br2 Cu N4 O2 S -","- C19 H18 Br2 Cu N4 O2 S -","- C152 H144 Br16 Cu8 N32 O16 S8 -","8","1","","Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri","Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells","Inorganica Chimica Acta","2020","502","","119347","","10.1016/j.ica.2019.119347","","","0.7107","MoKα","","","0.112","","","","0.098","","","","","","0.83","","","","has coordinates","270853","2021-11-24","09:41:57",""
"1565464","15.0253","0.0019","15.749","0.0019","16.4568","0.0017","90","","90","","90","","3894.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 I N2 Si Zn -","- C14 H27 I N2 Si Zn -","- C112 H216 I8 N16 Si8 Zn8 -","8","1","","Chandrasekaran, Revathi; Pulikkottil, Feba Thomas; Elama, Krishna Suresh; Rasappan, Ramesh","Direct synthesis and applications of solid silylzinc reagents","Chemical Science","2021","","","","","10.1039/D1SC06038D","","","0.71073","MoKα","","0.0795","0.0436","","","0.0892","0.1078","","","","","","1.084","","","","has coordinates","270946","2021-11-30","23:12:00",""
"1565580","8.265","0.005","23.677","0.005","26.571","0.005","90","0.005","90","0.005","90","0.005","5200","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H23 N4 O P -","- C33 H23 N4 O P -","- C264 H184 N32 O8 P8 -","8","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71069","MoKα","","0.1622","0.0721","","","0.1657","0.2307","","","","","","1.024","","","","has coordinates","272563","2022-02-04","19:05:34",""
"1565589","11.632","0.0008","9.0024","0.0009","29.319","0.002","90","","90","","90","","3070.2","0.4","292.6","0.3","292.6","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DTTP4","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Kim, Yumin; Kang, Sangyoon; Lee, Byung Hun; Song, Youngjun; Kang, Sunah; Park, Hye Yoon; Lee, Yan","De novo generation of a bright blue fluorophore from 2-oxoglutarate in biological samples","Chemical Science","2021","","","","","10.1039/D1SC05808H","","x-ray","0.71073","MoKα","","0.1256","0.0638","","","0.127","0.1553","","","","","","1.035","","","","has coordinates","271254","2021-12-07","23:15:04",""
"1565595","8.368","0.003","18.822","0.007","25.534","0.009","90","","90","","90","","4022","3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B2 F4 O4 S -","- C20 H16 B2 F4 O4 S -","- C160 H128 B16 F32 O32 S8 -","8","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.0827","0.0491","","","0.1008","0.1138","","","","","","1.045","","","","has coordinates","271264","2021-12-08","10:05:40",""
"1565614","11.895","0.005","15.863","0.005","15.918","0.005","90","0.005","90","0.005","90","0.005","3003.6","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H40 N4 O4 S2 Zn2 -","- C26 H40 N4 O4 S2 Zn2 -","- C104 H160 N16 O16 S8 Zn8 -","4","0.5","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","","0.71073","MoKα","","0.0816","0.0489","","","0.1073","0.1292","","","","","","1.073","","","","has coordinates","271291","2021-12-09","09:19:23",""
"1565738","9.5764","0.0006","18.2189","0.0012","35.88","0.002","90","","90","","90","","6260","0.7","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N11 O3 P3 -","- C28 H28 N11 O3 P3 -","- C224 H224 N88 O24 P24 -","8","1","","İbişoğlu, Hanife; Erdemir, Eda; Atilla, Devrim; Zorlu, Yunus; Şenkuytu, Elif","Synthesis, characterization and photophysical properties of cyclotriphosphazenes including heterocyclic rings","Inorganica Chimica Acta","2019","498","","119120","","10.1016/j.ica.2019.119120","","","0.71073","MoKα","","0.1647","0.0726","","","0.1633","0.2026","","","","","","1.045","","","","has coordinates,has disorder","271391","2021-12-14","09:40:15",""
"1565751","12.087","0.0008","7.5053","0.0006","25.0504","0.0018","90","","90","","90","","2272.5","0.3","188","2","188","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1152","0.0638","","","0.1199","0.141","","","","","","1.035","","","","has coordinates","271404","2021-12-14","10:05:40",""
"1565794","15.5527","0.0009","26.7995","0.0012","38.849","0.002","90","","90","","90","","16192.4","1.4","140","0.1","140","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C94 H92 Ce K O6 Si4 -","- C94 H92 Ce K O6 Si4 -","- C752 H736 Ce8 K8 O48 Si32 -","8","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.153","0.0679","","","0.1426","0.1858","","","","","","0.98","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565821","14.3788","0.0008","7.5241","0.0005","35.493","0.002","90","","90","","90","","3839.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cis-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C184 H160 I8 N8 O16 -","8","1","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0403","0.0359","","","0.0715","0.0738","","","","","","1.155","","","","has coordinates,has disorder","272579","2022-02-04","19:12:40",""
"1565897","11.7566","0.0005","7.5793","0.0003","22.5745","0.0008","90","","90","","90","","2011.54","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0811","0.0501","","","0.1254","0.1533","","","","","","1.052","","","","has coordinates","271777","2022-01-04","02:06:44",""
"1565984","16.53","0.1","12.81","0.05","13.46","0.07","90","","90","","90","","2850","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Sulfonylbis(bromomethylene)]dibenzene","","- C14 H12 Br2 O2 S -","- C14 H12 Br2 O2 S -","- C112 H96 Br16 O16 S8 -","8","1","WM4157","Corfield, Peter W. R.","[Sulfonylbis(bromomethylene)]dibenzene","IUCrData","2022","7","1","x211351","","10.1107/S2414314621013511","","","0.7107","MoKα","","0.0632","0.046","","","0.099","0.1054","","","","","","1.104","","","","has coordinates,has Fobs","272058","2022-01-15","02:54:41",""
"1566095","17.7615","0.0005","17.8877","0.0006","21.437","0.0007","90","","90","","90","","6810.8","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 B N8 O2 Zn -","- C39 H35 B N8 O2 Zn -","- C312 H280 B8 N64 O16 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","K-L~3~","0.0377","0.0314","","","0.0807","0.0848","","","","","","1.045","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566102","16.4658","0.0006","22.9868","0.001","23.1548","0.0009","90","","90","","90","","8764","0.6","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H36 B N7 O S Zn -","- C43 H36 B N7 O S Zn -","- C344 H288 B8 N56 O8 S8 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","","0.062","0.0389","","","0.0906","0.1076","","","","","","1.06","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566149","19.6653","0.0002","10.33692","0.0001","28.5425","0.0003","90","","90","","90","","5802.08","0.1","220","2","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 -","- C38 H34 N2 O2 -","- C304 H272 N16 O16 -","8","1","","Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max","Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds","Chemical Science","2022","","","","","10.1039/D1SC06719B","","","1.54178","CuKα","","0.0449","0.0364","","","0.0862","0.0918","","","","","","1.039","","","","has coordinates,has disorder","272257","2022-01-26","23:11:32",""
"1566153","18.3035","0.0004","18.6688","0.0005","41.8373","0.0008","90","","90","","90","","14296","0.6","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Al B Br3 N6 -","- C29 H49 Al B Br3 N6 -","- C464 H784 Al16 B16 Br48 N96 -","16","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0892","0.0688","","","0.1875","0.2106","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566252","16.781","0.0005","14.7044","0.0004","14.2985","0.0005","90","","90","","90","","3528.22","0.19","296.57","0.19","296.57","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- H36 O21 U4 -","- O21 U4 -","- O168 U32 -","8","1","","Jakub Plasil","The crystal structure of uranyl-oxide mineral schoepite, [(UO2)4O (OH)6]( H2O)6, revisited","Journal of GeoSciences","2018","63","","65","73","10.3190/jgeosci.252","","x-ray","0.71073","MoKα","","0.0466","0.0264","","","0.0579","0.0658","","","","1.38","1.38","1.31","","","","has coordinates","272415","2022-02-02","09:27:03",""
"1566339","11.9139","0.0001","14.4308","0.0002","32.1655","0.0005","90","","90","","90","","5530.12","0.12","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 P2 Pd -","- C25 H47 B N2 P2 Pd -","- C200 H376 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0408","0.0364","","","0.0917","0.0946","","","","","","1.043","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566349","21.161","0.004","17.679","0.004","25.912","0.005","90","","90","","90","","9694","3","177","2","177","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H65 Au B2 N2 -","- C55 H65 Au B2 N2 -","- C440 H520 Au8 B16 N16 -","8","1","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0469","0.0346","","","0.067","0.0804","","","","","","1.119","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566595","19.5585","0.0008","24.7224","0.001","29.8538","0.001","90","","90","","90","","14435.3","1","99.98","","99.98","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(Cryptand-222)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","","- C77 H83 Cl4 K Mn N6 O8 S -","- C77 H83 Cl4 K Mn N6 O8 S -","- C616 H664 Cl32 K8 Mn8 N48 O64 S8 -","8","1","BT4121","Yuan, Yiwen; Li, Jianfeng","([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","IUCrData","2022","7","3","x220241","","10.1107/S2414314622002413","","","0.71073","MoKα","","0.0899","0.049","","","0.0987","0.1153","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","273643","2022-03-11","03:35:28",""
"1566734","9.6146","0.0003","15.9025","0.0004","29.7245","0.0007","90","","90","","90","","4544.8","0.2","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 S -","- C29 H22 N2 O4 S -","- C232 H176 N16 O32 S8 -","8","1","","Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin","Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase.","Journal of agricultural and food chemistry","2022","70","11","3435","3446","10.1021/acs.jafc.1c07911","","x-ray","0.71073","MoKα","","0.058","0.0468","","","0.1122","0.1201","","","","","","1.036","","","","has coordinates","274287","2022-04-03","23:12:12",""
"1566757","5.1815","0.0002","18.2321","0.0011","8.8085","0.0005","90","","90","","90","","832.14","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Magnesium iron aluminium catena-alumosilicate","Magnesium iron aluminium catena-alumosilicate","Enstatite","- Al0.067 Fe0.067 Mg1.94 O6 Si1.93 -","- Al0.067 Fe0.067 Mg1.933 O6 Si1.933 -","- Al0.536 Fe0.536 Mg15.464 O48 Si15.464 -","8","1","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0327","0.0253","","","0.0364","0.0391","","","","1.85","1.85","1.87","","","","has coordinates,has Fobs","275879","2022-06-07","14:05:49",""
"1566818","15.0807","0.0002","9.7071","0.0001","19.4956","0.0002","90","","90","","90","","2853.96","0.06","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 B2 N8 O2 -","- C34 H30 B2 N8 O2 -","- C136 H120 B8 N32 O8 -","4","0.5","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0476","0.037","","","0.0819","0.0879","","","","","","1.049","","","","has coordinates","274562","2022-04-18","22:11:18",""
"1566932","18.0783","0.0008","19.0664","0.0008","27.2154","0.0011","90","","90","","90","","9380.8","0.7","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(COD)2]BArF24","[Cu(COD)2]BArF24","","- C48 H36 B Cu F24 -","- C48 H36 B Cu F24.009 -","- C384 H288 B8 Cu8 F192.072 -","8","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.1053","0.0682","","","0.181","0.2119","","","","","","1.034","","","","has coordinates,has disorder","276601","2022-07-06","07:58:49",""
"1566956","13.5889","0.0003","9.9317","0.0002","20.9678","0.0004","90","","90","","90","","2829.83","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 F3 N O4 -","- C15 H12 F3 N O4 -","- C120 H96 F24 N8 O32 -","8","1","","Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M.","Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols","Chemical Science","2022","","","","","10.1039/D2SC01547A","","","1.54178","CuKα","","0.0382","0.0338","","","0.0801","0.0827","","","","","","1.044","","","","has coordinates","275346","2022-05-11","22:12:05",""
"1567092","19.2646","0.0007","16.7587","0.0007","24.952","0.0011","90","","90","","90","","8055.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Fe(NMes)(N{Dipp}TMS)2]","","- C39 H63 Fe N3 Si2 -","- C39 H63 Fe N3 Si2 -","- C312 H504 Fe8 N24 Si16 -","8","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0651","0.0464","","","0.0897","0.0953","","","","","","1.042","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567134","15.0187","0.0007","14.1539","0.0005","30.0583","0.0011","90","","90","","90","","6389.6","0.4","275","4","275","4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32 Co N5 O4 Sn -","- C31 H34 Co N5 O4 Sn -","- C248 H272 Co8 N40 O32 Sn8 -","8","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","0.71073","MoKα","","0.0733","0.0363","","","0.0759","0.0861","","","","","","1.035","","","","has coordinates,has disorder","277105","2022-08-06","11:44:06",""
"1567144","19.3389","0.0007","18.1968","0.0007","34.039","0.001","90","","90","","90","","11978.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","","- C32 H72 Cl12 I2 Nb6 O12 -","- C32 H72 Cl12 I2 Nb6 O12 -","- C256 H576 Cl96 I16 Nb48 O96 -","8","1","WM4165","Schröder, Florian; Köckerling, Martin","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","IUCrData","2022","7","6","x220618","","10.1107/S2414314622006186","","","0.71073","MoKα","","0.0804","0.0512","","","0.1167","0.1322","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","276081","2022-06-17","02:05:17",""
"1567153","26.0183","0.0001","23.433","0.0001","31.3406","0.0002","90","","90","","90","","19107.9","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H45.5 Ir N5.5 O P2 -","- C26 H45.5 Ir N5.5 O P2 -","- C624 H1092 Ir24 N132 O24 P48 -","24","3","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0449","0.0394","","","0.0979","0.0996","","","","","","1.265","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567200","5.817","0.002","16.812","0.006","11.892","0.007","90","","90","","90","","1163","0.9","","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena(Ammonium fluoro-(mu!2!-fluoro)-isothiocyanato-tin(II))","","- C H4 N2 O S Sn -","- C H4 F2 N2 S Sn -","- C8 H32 F16 N16 S8 Sn8 -","8","1","","Kokunov, Yu. V.","Tin(II) Fluoride Compounds with Mixed Acidoligands: Synthesis and Crystal Structure of NH4[SnF2(NCS)]","Russian Journal of Coordination Chemistry","2000","26","12","857","860","10.1023/A:1026674808129","","x-ray","","MoKα","","","0.021","","","","0.022","","","","","","","","","","has coordinates","276452","2022-06-30","20:59:28",""
"1567240","14.8284","0.0008","17.9936","0.001","21.3095","0.0012","90","","90","","90","","5685.7","0.5","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin","2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin","","- C33 H42 N4 O2 -","- C33 H42 N4 O2 -","- C264 H336 N32 O16 -","8","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.057","0.0451","","","0.1186","0.1277","","","","","","1.023","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567297","12.27","0.003","19.141","0.004","36.523","0.007","90","","90","","90","","8578","3","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cu F6 N10 O6 S2 -","- C34 H46 Cu F6 N10 O6 S2 -","- C272 H368 Cu8 F48 N80 O48 S16 -","8","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0793","0.065","","","0.1568","0.171","","","","","","1.094","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567317","13.266","0.003","15.322","0.003","16.848","0.003","90","","90","","90","","3424.6","1.2","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N2 O2 Rh S -","- C17 H23 N2 O2 Rh S -","- C136 H184 N16 O16 Rh8 S8 -","8","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0304","0.0218","","","0.0485","0.0516","","","","","","1.013","","","","has coordinates","276806","2022-07-22","22:56:49",""
"1567379","8.8585","0.0003","18.0405","0.0005","23.1961","0.0007","90","","90","","90","","3707","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C21 H19 N5 O3 -","- C21 H19 N5 O3 -","- C168 H152 N40 O24 -","8","1","BX4022","Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","IUCrData","2022","7","7","","","10.1107/S2414314622006939","","","1.54178","CuKα","","0.0438","0.0351","","","0.0816","0.0872","","","","","","1.048","","","","has coordinates,has Fobs","276905","2022-07-23","04:25:09",""
"1567398","16.5285","0.0001","17.378","0.0001","34.2234","0.0002","90","","90","","90","","9830.06","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H67 Br2 Mn N7 O Si2 -","- C43 H67 Br2 Mn N7 O Si2 -","- C344 H536 Br16 Mn8 N56 O8 Si16 -","8","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0387","0.0341","","","0.0838","0.0878","","","","","","1.028","","","","has coordinates","277001","2022-07-29","22:06:29",""
"1567412","15.7175","0.0005","8.1812","0.0002","17.2809","0.0006","90","","90","","90","","2222.12","0.12","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 Cl4 N3 Pb -","- C4 H9 Cl4 N3 Pb -","- C32 H72 Cl32 N24 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0338","0.0176","","","0.0334","0.039","","","","","","1.051","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567413","15.7952","0.0008","8.1952","0.0004","17.4241","0.001","90","","90","","90","","2255.5","0.2","300","","300.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 Cl4 N3 Pb -","- C4 H9 Cl4 N3 Pb -","- C32 H72 Cl32 N24 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0399","0.0204","","","0.0475","0.0576","","","","","","1.176","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567422","14.187","0.003","13.429","0.004","27.488","0.008","90","","90","","90","","5237","2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C256 H192 N16 O16 S16 -","8","1","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","0.71073","MoKα","","0.1317","0.0601","","","0.1318","0.1837","","","","","","1.021","","","","has coordinates","277662","2022-09-06","09:57:52",""
"1567429","9.2426","0.0006","18.4473","0.0014","35.708","0.004","90","","90","","90","","6088.3","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C160 H96 Cl32 N64 Na16 O112 Pd8 -","8","1","","Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata","Non-directed Pd-catalysed electrooxidative olefination of arenes","Chemical Science","2022","13","32","9432","9439","10.1039/D2SC03288K","","","0.71073","MoKα","","0.1709","0.1177","","","0.2428","0.2701","","","","","","1.114","","","","has coordinates","277652","2022-09-06","09:52:11",""
"1567430","11.6876","0.001","24.898","0.003","13.833","0.002","90","","90","","90","","4025.4","0.8","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H13 N O Si -","- C8 H13 N O Si -","- C128 H208 N16 O16 Si16 -","16","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0478","0.0419","","","0.1136","0.1205","","","","","","1.074","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567547","18.304","0.0004","15.4886","0.0003","18.7216","0.0004","90","","90","","90","","5307.64","0.19","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H45 Nd O -","- C29 H45 Nd O -","- C232 H360 Nd8 O8 -","8","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0404","0.0228","","","0.0399","0.0501","","","","","","1.1344","","","","has coordinates","277469","2022-08-30","22:15:36",""
"1567574","10.9817","0.0004","17.1391","0.0006","31.4588","0.0011","90","","90","","90","","5921.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H68 Co2 N4 O6 -","- C68 H68 Co2 N4 O6 -","- C272 H272 Co8 N16 O24 -","4","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0564","0.0431","","","0.1051","0.1125","","","","","","1.109","","","","has coordinates,has disorder","277624","2022-09-05","06:14:50",""
"1567639","7.4776","0.0001","19.104","0.0002","26.0919","0.0003","90","","90","","90","","3727.28","0.08","112.3","0.7","112.3","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C160 H112 I16 N16 O16 -","8","1","GG4010","Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.","2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)","IUCrData","2022","7","9","x220895","","10.1107/S2414314622008951","","x-ray","0.71073","MoKα","","0.0226","0.0202","","","0.0435","0.0443","","","","","","1.087","","","","has coordinates,has Fobs","277825","2022-09-14","01:50:16",""
"1567642","10.6941","0.0003","8.218","0.0002","46.3766","0.0014","90","","90","","90","","4075.8","0.2","296","0.3","296","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C168 H232 Br8 O32 -","8","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0444","0.043","","","0.1083","0.1094","","","","","","1.051","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567673","15.8974","0.0008","16.5103","0.0007","21.77","0.002","90","","90","","90","","5714","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Cl N2 Pd -","- C31 H37 Cl N2 Pd -","- C248 H296 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0724","0.0387","","","0.0825","0.0964","","","","","","1.011","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567674","19.238","0.0014","17.9782","0.0018","21.2489","0.0009","90","","90","","90","","7349.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C328 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.068","0.0369","","","0.083","0.0987","","","","","","1.023","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567675","14.159","0.0004","17.0852","0.0008","29.6394","0.0009","90","","90","","90","","7170","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C320 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0942","0.0521","","","0.104","0.1227","","","","","","1.031","","","","has coordinates,has disorder","278959","2022-11-07","05:04:10",""
"1567689","16.0233","0.0003","14.6001","0.0002","16.6104","0.0003","90","","90","","90","","3885.87","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C136 H144 N16 O56 S8 Zn8 -","8","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.1091","0.1053","","","0.2829","0.2904","","","","","","1.099","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567690","16.10966","0.00019","14.61582","0.00019","16.4897","0.0002","90","","90","","90","","3882.6","0.08","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cu N2 O7 S -","- C17 H18 Cu N2 O7 S -","- C136 H144 Cu8 N16 O56 S8 -","8","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.0837","0.0788","","","0.2571","0.263","","","","","","1.083","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567754","7.67243","0.00012","8.07957","0.00012","24.2351","0.0004","90","","90","","90","","1502.33","0.04","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H8 F6 N3 O P -","- C H8 F6 N3 O P -","- C8 H64 F48 N24 O8 P8 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","x-ray","1.54184","CuKα","","0.0364","0.0339","","","0.0942","0.0964","","","","","","1.059","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567762","16.617","0.0005","11.8972","0.0003","22.9385","0.0007","90","","90","","90","","4534.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H34 N2 O5 S -","- C22 H34 N2 O5 S -","- C176 H272 N16 O40 S8 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0595","0.0525","","","0.1348","0.1402","","","","","","1.05","","","","has coordinates,has disorder","278965","2022-11-07","05:12:48",""
"1567779","12.2903","0.0003","13.3012","0.0003","15.6001","0.0003","90","","90","","90","","2550.24","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl Fe O2 P -","- C11 H14 Cl Fe O2 P -","- C88 H112 Cl8 Fe8 O16 P8 -","8","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0257","0.0205","","","0.0487","0.0513","","","","","","1.045","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567781","21.4541","0.0005","9.6814","0.0002","23.524","0.0005","90","","90","","90","","4886.07","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 F Fe O2 P -","- C11 H13.928 F Fe O2 P -","- C176 H222.848 F16 Fe16 O32 P16 -","16","2","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0428","0.0323","","","0.081","0.0877","","","","","","1.039","","","","has coordinates,has disorder","280170","2023-01-06","09:35:51",""
"1567900","9.1016","0.0005","14.4759","0.0006","28.6257","0.0014","90","","90","","90","","3771.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Br Mn N4 O2 P -","- C16 H21 Br Mn N4 O2 P -","- C128 H168 Br8 Mn8 N32 O16 P8 -","8","1","","Shabade, Anand B.; Sharma, Dipesh M.; Bajpai, Priyam; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by well-defined mixed donor Mn(I) pincer catalyst","Chemical Science","2022","","","","","10.1039/D2SC05274A","","","0.71073","MoKα","","0.0882","0.0494","","","0.0889","0.1012","","","","","","1.051","","","","has coordinates","278934","2022-11-03","23:15:23",""
"1568036","8.0671","0.0002","15.0932","0.0004","22.4852","0.0006","90","","90","","90","","2737.76","0.12","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 Si -","- C13 H22 O2 Si -","- C104 H176 O16 Si8 -","8","1","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0667","0.0444","","","0.1069","0.1205","","","","","","1.082","","","","has coordinates","283152","2023-05-05","00:55:09",""
"1568092","11.146","0.002","24.058","0.005","42.262","0.008","90","","90","","90","","11333","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Au Cl2 N O2 P -","- C32 H25 Au Cl2 N O2 P -","- C512 H400 Au16 Cl32 N16 O32 P16 -","16","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.1027","0.0619","","","0.0949","0.1032","","","","","","1.072","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568253","15.0449","0.0002","16.2449","0.0002","26.5593","0.0003","90","","90","","90","","6491.17","0.14","173","0.14","173","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N2 Zn -","- C34 H50 N2 Zn -","- C272 H400 N16 Zn8 -","8","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0941","0.1009","","","","","","1.039","","","","has coordinates","281370","2023-03-04","17:56:17",""
"1568292","15.839","0.0004","10.3662","0.0003","19.8011","0.0005","90","","90","","90","","3251.15","0.15","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.032","0.0297","","","0.0783","0.08","","","","","","1.049","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568367","8.9762","0.0001","18.0158","0.0001","35.4048","0.0002","90","","90","","90","","5725.43","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 F2 N3 O4 S2 -","- C9 H15 F2 N3 O4 S2 -","- C144 H240 F32 N48 O64 S32 -","16","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0474","0.0455","","","0.1317","0.1335","","","","","","1.056","","","","has coordinates,has disorder","283153","2023-05-05","00:56:51",""
"1568444","13.9907","0.0003","14.6428","0.0004","21.7567","0.0006","90","","90","","90","","4457.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Br N O P -","- C23 H29 Br N O P -","- C184 H232 Br8 N8 O8 P8 -","8","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.0807","0.0425","","","0.0821","0.0954","","","","","","1.036","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568515","18.5124","0.0014","15.2519","0.0011","35.298","0.003","90","","90","","90","","9966.4","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H78 N2 O3 Yb -","- C55 H78 N2 O3 Yb -","- C440 H624 N16 O24 Yb8 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.1134","0.0647","","","0.133","0.1534","","","","","","1.078","","","","has coordinates,has disorder","281099","2023-02-23","07:57:52",""
"1568540","18.2041","0.0015","12.7693","0.0013","19.5076","0.0018","90","","90","","90","","4534.6","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","ARW-II-297","ARW-II-297","","- C23 H30 O7 Si -","- C23 H30 O7 Si -","- C184 H240 O56 Si8 -","8","1","","Kerkovius, Jeff; Wong, Alice; Mak, Victor; Reisman, Sarah E.","A convergent fragment coupling strategy to access quaternary stereogenic centers","Chemical Science","2023","","","","","10.1039/D2SC07023E","","","0.71073","MoKα","","0.0621","0.0443","","","0.0997","0.1053","","","","","","1.09","","","","has coordinates","281164","2023-02-28","07:50:05",""
"1568548","15.6906","0.0003","14.9491","0.0003","18.9271","0.0004","90","","90","","90","","4439.55","0.15","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 Cl N O2 P S -","- C26 H19 Cl N O2 P S -","- C208 H152 Cl8 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0812","0.0476","","","0.1221","0.1413","","","","","","1.046","","","","has coordinates","281227","2023-03-02","07:55:31",""
"1568549","17.9194","0.0003","12.2042","0.0001","18.6576","0.0002","90","","90","","90","","4080.27","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0481","0.0383","","","0.0883","0.0932","","","","","","1.067","","","","has coordinates","281227","2023-03-02","07:55:34",""
"1568560","14.031","0.006","14.473","0.006","19.564","0.007","90","","90","","90","","3973","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 I N3 O5 Ru -","- C16 H24 I N3 O5 Ru -","- C128 H192 I8 N24 O40 Ru8 -","8","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0366","0.0339","","","0.0588","0.0595","","","","","","1.323","","","","has coordinates","282243","2023-04-04","09:26:22",""
"1568572","7.46953","0.00017","17.2423","0.0004","25.6766","0.0006","90","","90","","90","","3306.94","0.13","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C168 H208 O24 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0461","0.0406","","","0.1035","0.1073","","","","","","1.059","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568581","17.4954","0.0015","23.7716","0.0018","26.188","0.002","90","","90","","90","","10891.4","1.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C504 H416 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0948","0.0581","","","0.1464","0.1617","","","","","","1.048","","","","has coordinates","281625","2023-03-05","01:56:10",""
"1568584","17.979","0.003","24.99","0.004","27.167","0.004","90","","90","","90","","12206","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H59 Cl3 Cu N3 O3 P2 -","- C67 H59 Cl3 Cu N3 O3 P2 -","- C536 H472 Cl24 Cu8 N24 O24 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1042","0.0638","","","0.1608","0.1818","","","","","","1.056","","","","has coordinates","281625","2023-03-05","01:56:16",""
"1568676","22.2241","0.0009","9.0072","0.0003","30.4536","0.0011","90","","90","","90","","6096.1","0.4","272","2","272","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl6 N2 Si -","- C25 H36 Cl6 N2 Si -","- C200 H288 Cl48 N16 Si8 -","8","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","1.54178","CuKα","","0.0912","0.0568","","","0.1454","0.1648","","","","","","1.05","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568680","18.1535","0.0009","11.2621","0.0005","20.3773","0.001","90","","90","","90","","4166.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Yang, Qingjing; Zhou, Jian; Wang, Jun Joelle","Enantioselective copper-catalyzed hydrophosphination of alkenyl isoquinolines.","Chemical science","2023","14","16","4413","4417","10.1039/d2sc06950d","","x-ray","0.71073","MoKα","","0.064","0.0414","","","0.0988","0.1101","","","","","","1.025","","","","has coordinates","283167","2023-05-05","01:05:37",""
"1568700","9.7712","0.0005","9.0593","0.0004","17.7198","0.001","90","","90","","90","","1568.56","0.14","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","MPHTZ","5-p-tolyl-1H-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C64 H64 N32 -","8","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71073","MoKα","","0.0524","0.0411","","","0.1334","0.1413","","","","","","1.092","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568738","20.34","0.005","11.791","0.003","22.744","0.006","90","","90","","90","","5455","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H39 B Si2 -","- C27 H39 B Si2 -","- C216 H312 B8 Si16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.1064","0.114","","","","","","1.073","","","","has coordinates","284214","2023-06-05","03:57:31",""
"1568782","14.6426","0.0007","20.0946","0.0013","32.345","0.002","90","","90","","90","","9517.1","1","223","2","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H47 N9 O14 Zn -","- C51 H47 N9 O14 Zn -","- C408 H376 N72 O112 Zn8 -","8","1","","Pook, Niels-Patrick","Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations","Crystals","2023","13","4","569","","10.3390/cryst13040569","","","0.71073","MoKα","","0.1277","0.0536","","","0.0948","0.1162","","","","","","0.908","","","","has coordinates","282348","2023-04-04","13:04:38",""
"1568838","17.4227","0.0001","14.0371","0.0001","43.5602","0.0004","90","","90","","90","","10653.3","0.14","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Au N2 -","- C29 H35 Au N2 -","- C464 H560 Au16 N32 -","16","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0412","0.0351","","","0.0883","0.0924","","","","","","1.045","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","282654","2023-04-15","02:01:15",""
"1568872","26.1402","0.0008","17.811","0.0004","27.9689","0.0006","90","","90","","90","","13021.8","0.6","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Cl Fe Ga N4 P5 Si -","- C60 H93 Cl Fe Ga N4 P5 Si -","- C480 H744 Cl8 Fe8 Ga8 N32 P40 Si8 -","8","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0638","0.0399","","","0.0934","0.1035","","","","","","1.022","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568881","12.782","0.003","7.6564","0.0015","32.715","0.007","90","","90","","90","","3201.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.087","0.0764","","","0.2052","0.2115","","","","","","1.187","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568884","17.4083","0.0003","18.0287","0.0004","28.2153","0.0005","90","","90","","90","","8855.3","0.3","101","2","101.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Al O2 P -","- C50 H66 Al O2 P -","- C400 H528 Al8 O16 P8 -","8","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0367","0.0345","","","0.0912","0.0927","","","","","","1.03","","","","has coordinates","284343","2023-06-05","05:01:45",""
"1568891","10.7527","0.0004","10.0218","0.0003","30.3983","0.0011","90","","90","","90","","3275.8","0.2","230","0.1","230","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 Rh -","- C16 H29 N2 Rh -","- C128 H232 N16 Rh8 -","8","1","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO<sub>2</sub> hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.0384","0.0364","","","0.1018","0.1038","","","","","","1.043","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568909","17.885","0.005","18.47","0.005","10.697","0.003","90","","90","","90","","3533.6","1.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.2678","0.1183","","","0.3016","0.4135","","","","","","1.144","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568924","13.9343","0.0003","7.8657","0.0002","31.4425","0.0007","90","","90","","90","","3446.19","0.14","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 K O9 -","- C16 H19 K O9 -","- C128 H152 K8 O72 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0475","0.0454","","","0.1151","0.1165","","","","","","1.08","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1569054","11.6411","0.0001","18.6662","0.0001","33.6871","0.0002","90","","90","","90","","7320.04","0.09","99.99","0.1","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H59 B N3 Na O2 Si2 -","- C30.673 H58.346 B N3 Na O1.673 Si2 -","- C245.384 H466.768 B8 N24 Na8 O13.384 Si16 -","8","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","","1.54184","CuKα","","0.0469","0.0459","","","0.1074","0.108","","","","","","1.136","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569095","16.8473","0.0019","16.475","0.0019","37.556","0.004","90","","90","","90","","10424","2","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H62 Cl3 O4 P -","- C59 H62 Cl3 O4 P -","- C472 H496 Cl24 O32 P8 -","8","1","","","","","","","","","","10.1039/D3DT00612C","","","0.71069","MoKα","","0.1228","0.0967","","","0.2774","0.2991","","","","","","1.076","","","","has coordinates,has disorder","283666","2023-05-10","22:48:19",""
"1569101","14.2995","0.0007","19.0824","0.0006","26.3974","0.0008","90","","90","","90","","7203","0.5","123","","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","MR-360","","- C30 H58 N6 S2 Si -","- C30 H58 N6 S2 Si -","- C240 H464 N48 S16 Si8 -","8","1","","","","","","","","","","10.1039/D3DT00850A","","","0.71073","MoKα","","0.0893","0.058","","","0.1469","0.162","","","","","","0.931","","","","has coordinates","283668","2023-05-10","22:50:00",""
"1569109","9.7117","0.0006","17.1656","0.0011","19.8546","0.0013","90","","90","","90","","3309.9","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0476","0.0417","","","0.1076","0.1131","","","","","","1.041","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569171","22.07209","0.00013","19.9537","0.00013","24.4522","0.00016","90","","90","","90","","10769.2","0.12","125","7","125","7","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Al K N4 O2 Si2 -","- C54 H86 Al K N4 O2 Si2 -","- C432 H688 Al8 K8 N32 O16 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0929","0.095","","","","","","1.033","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569193","8.5815","0.0002","23.7567","0.0005","38.1133","0.0012","90","","90","","90","","7770.1","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","1","0.125","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","x-ray","1.54184","CuKα","","0.1221","0.0915","","","0.239","0.2588","","","","","","1.13","","","","has coordinates,has disorder","284908","2023-07-05","09:55:02",""
"1569214","7.9842","0.0004","21.6573","0.0012","21.6791","0.0011","90","","90","","90","","3748.7","0.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cycloheptanone","3-phenyl-3-(2,4,6-trimethoxyphenyl)cycloheptan-1-one","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0734","0.0688","","","0.1436","0.1459","","","","","","1.289","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569226","10.3513","0.0004","9.1559","0.0003","28.7456","0.0008","90","","90","","90","","2724.38","0.16","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F5 N2 O2 Pd -","- C11 H9 F5 N2 O2 Pd -","- C88 H72 F40 N16 O16 Pd8 -","8","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","","0.71073","MoKα","","0.0694","0.0384","","","0.0716","0.0869","","","","","","1.079","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569258","8.0518","0.0002","17.65","0.0004","26.8891","0.0006","90","","90","","90","","3821.32","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 F N3 O S -","- C21 H20 F N3 O S -","- C168 H160 F8 N24 O8 S8 -","8","1","","Zhang, Wen-Hui; Chen, Zi-Yue; Liu, Ren-Ming; Liu, Xiong-Wei; Pan, Bo-Wen; Zhou, Jian; Zhou, Ying; Tian, You-Ping; Liu, Xiong-Li","Trimethylindolenines as C–N synthons for the assembly of spiro[oxindole-thioxoimidazolidine-indoline] hybrids in formal [3+2] cycloadditions","New Journal of Chemistry","2023","47","26","12296","12303","10.1039/D3NJ00901G","","x-ray","1.54178","CuKα","","0.0542","0.0512","","","0.1384","0.1418","","","","","","1.036","","","","has coordinates","284941","2023-07-05","10:34:47",""
"1569469","17.4042","0.0003","16.0025","0.0003","13.5595","0.0002","90","","90","","90","","3776.47","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 Mn0.03 O23 P2 U3 -","- Ca2 H14 Mn0.025 O23 P2 U3 -","- Ca16 H112 Mn0.2 O184 P16 U24 -","8","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.0273","0.0203","","","0.036","0.0373","","","","","","1.028","","","","has coordinates","285028","2023-07-06","05:00:28",""
"1569590","10.3939","0.0001","17.668","0.0002","17.6653","0.0002","90","","90","","90","","3244.05","0.06","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(5-Cyanononan-5-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","BV4049","Song, Xueqing; Li, William","N-(5-Cyanononan-5-yl)benzamide","IUCrData","2023","8","7","","","10.1107/S2414314623006399","","","1.54184","CuKα","","0.0479","0.0427","","","0.1088","0.1121","","","","","","1.079","","","","has coordinates","285387","2023-07-29","02:14:14",""
"1569646","15.73","0.0002","18.2546","0.0004","17.1794","0.0003","90","","90","","90","","4932.98","0.15","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H21 Cl Cu Ge N4 O4 -","- C26 H21 Cl Cu Ge N4 O4 -","- C208 H168 Cl8 Cu8 Ge8 N32 O32 -","8","1","","Wagler, Jörg; Gericke, Robert","Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.","Molecules (Basel, Switzerland)","2023","28","14","5442","","10.3390/molecules28145442","","","0.71073","MoKα","","0.0509","0.0356","","","0.0761","0.0817","","","","","","1.085","","","","has coordinates","285567","2023-08-06","05:07:56",""
"1569662","16.2645","0.0016","7.8297","0.0007","22.819","0.002","90","","90","","90","","2905.9","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Methoxyphenyl)-9<i>H</i>-carbazole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","HB4441","Ganesan, Prabhu; Jasmine, Nithianantham Jeeva; Darious, Robert Swinton; Soundararajan, Krishnan; Rajalingam, Renganathan","9-(4-Methoxyphenyl)-9H-carbazole","IUCrData","2023","8","8","","","10.1107/S2414314623006740","","","0.71073","MoKα","","0.1039","0.0458","","","0.102","0.1355","","","","","","1.082","","","","has coordinates","285623","2023-08-11","02:08:54",""
"1569701","9.0013","0.0018","16.186","0.003","21.094","0.004","90","","90","","90","","3073.3","1","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0959","0.0667","","","0.156","0.1741","","","","","","1.049","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569743","9.3359","0.0013","10.169","0.003","20.658","0.003","90","","90","","90","","1961.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C80 H104 N8 O24 -","8","1","","Malik, Monika; Senatore, Raffaele; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio","Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides.","Chemical science","2023","14","37","10140","10146","10.1039/d3sc03216g","","x-ray","1.54186","CuKα","","0.056","0.0549","","","0.1523","0.1541","","","","","","1.051","","","","has coordinates","286698","2023-10-05","23:43:41",""
"1569808","14.6614","0.0005","15.9147","0.0006","18.0194","0.0007","90","","90","","90","","4204.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N9 O S2 -","- C16 H17 Cd N9 O S2 -","- C128 H136 Cd8 N72 O8 S16 -","8","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0533","0.0297","","","0.0619","0.075","","","","","","1.099","","","","has coordinates","286225","2023-09-06","03:36:41",""
"1569841","13.9731","0.0005","16.3251","0.0005","37.9097","0.0013","90","","90","","90","","8647.7","0.5","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C344 H504 Cl8 Fe8 N56 O32 -","8","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","0.71073","MoKα","","0.0389","0.0355","","","0.0911","0.0929","","","","","","1.082","","","","has coordinates","287324","2023-11-06","07:04:04",""
"1569870","7.522","0.003","7.375","0.003","25.795","0.011","90","","90","","90","","1431","1","120.01","","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Mo N2 O3 -","- C5 H4 Mo N2 O3 -","- C40 H32 Mo8 N16 O24 -","8","1","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0969","0.0814","","","0.1693","0.1753","","","","","","1.211","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569882","17.6227","0.0004","18.3009","0.0004","18.5577","0.0004","90","","90","","90","","5985.1","0.2","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H37 N2 O2 Rh -","- C37 H37 N2 O2 Rh -","- C296 H296 N16 O16 Rh8 -","8","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0632","0.0511","","","0.1171","0.1233","","","","","","1.115","","","","has coordinates","287311","2023-11-06","06:57:13",""
"1569977","17.0351","0.0002","7.02387","0.0001","27.7571","0.0004","90","","90","","90","","3321.2","0.08","100.09","0.1","100.09","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 B F2 N4 O -","- C19 H15 B F2 N4 O -","- C152 H120 B8 F16 N32 O8 -","8","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0451","0.0373","","","0.0891","0.093","","","","","","1.073","","","","has coordinates","287291","2023-11-06","06:38:49",""
"1570053","21.789","0.003","9.5494","0.0012","22.2","0.003","90","","90","","90","","4619.2","1.1","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],","","- C25 H29 N3 Ni O6 -","- C25 H29 N3 Ni O6 -","- C200 H232 N24 Ni8 O48 -","8","1","BH4079","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology","IUCrData","2023","8","10","","","10.1107/S2414314623008696","","","0.71073","MoKα","","0.0709","0.0479","","","0.1195","0.1338","","","","","","1.053","","","","has coordinates","286822","2023-10-06","02:00:36",""
"1570100","15.1769","0.0004","5.8576","0.0002","25.2717","0.0007","90","","90","","90","","2246.66","0.12","108","3","108","3","","","","","","","","2","P b c a","-P 2ac 2ab","61","1-Methyl-3-(2-naphthyl)cyclopentadiene","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","1","ZL4062","Michailidis, Melina; Bonitatibus Jr, Peter J.","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","IUCrData","2023","8","10","","","10.1107/S2414314623008568","","x-ray","1.54184","CuKα","","0.0612","0.0536","","","0.1357","0.1411","","","","","","1.057","","","","has coordinates","286895","2023-10-11","02:22:43",""
"1570275","15.1833","0.0006","13.4972","0.0004","24.4882","0.0009","90","","90","","90","","5018.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H18 F6 Mn N6 O7 S2 -","- C21 H18 F6 Mn N6 O7 S2 -","- C168 H144 F48 Mn8 N48 O56 S16 -","8","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.1078","0.0816","","","0.1761","0.1905","","","","","","1.177","","","","has coordinates","287459","2023-11-07","02:59:47",""
"1570340","10.7719","0.0003","7.1215","0.0002","20.5604","0.0006","90","","90","","90","","1577.23","0.08","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzo[b]thien-2-yldifluoroborane","","- C8 H5 B F2 S -","- C8 H5 B F2 S -","- C64 H40 B8 F16 S8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","GaKα","","0.0262","0.018","","","0.0361","0.0387","","","","","","1.0783","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570344","14.178","0.0003","12.384","0.0003","19.5169","0.0004","90","","90","","90","","3426.78","0.13","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","boron tribromide - N,N-dimethyl-4-trimethylsilylaniline","","- C11 H19 B Br3 N Si -","- C11 H19 B Br3 N Si -","- C88 H152 B8 Br24 N8 Si8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0446","0.0384","","","0.0926","0.102","","","","","","1.0599","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570368","36.1","0.6","19.23","0.07","7.97","0.05","90","","90","","90","","5533","10","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","NO2-PDI","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C272 H232 N24 O48 -","8","1","","Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith","Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach.","Chemical science","2024","15","2","490","499","10.1039/d3sc05514k","","electron","0.0251","electron","","0.3278","0.223","","","0.2168","0.2289","","","","0","0","3.9855","","","","has coordinates","289415","2024-02-04","11:31:20",""
"1570471","6.6336","0.0003","10.5499","0.0006","18.8351","0.0015","90","","90","","90","","1318.15","0.14","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0597","0.0426","","","0.1085","0.1181","","","","","","1.025","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570506","17.716","0.008","17.001","0.007","27.332","0.012","90","","90","","90","","8232","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl3 N4 O2 Pt -","- C42 H57 Cl3 N4 O2 Pt -","- C336 H456 Cl24 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.125","0.0964","","","0.2422","0.2688","","","","","","1.026","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570529","12.8509","0.0002","12.404","0.0002","21.802","0.0004","90","","90","","90","","3475.29","0.1","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 S3 Si -","- C19 H16 S3 Si -","- C152 H128 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0401","0.0304","","","0.0714","0.0774","","","","","","1.042","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570532","21.1138","0.0008","7.7627","0.0002","24.2285","0.0008","90","","90","","90","","3971.1","0.2","150","2","149.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 S3 Si -","- C23 H18 S3 Si -","- C184 H144 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.059","0.045","","","0.1133","0.1254","","","","","","1.038","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570556","14.1876","0.0004","14.5939","0.0003","26.9748","0.0005","90","","90","","90","","5585.2","0.2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Fe N2 O2 Zn -","- C30 H34 Fe N2 O2 Zn -","- C240 H272 Fe8 N16 O16 Zn8 -","8","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.06","0.041","","","0.0905","0.104","","","","","","1.034","","","","has coordinates","289407","2024-02-04","11:30:02",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","288716","2024-01-06","02:46:42",""
"1570796","15.7456","0.0003","16.8545","0.0004","19.8172","0.0005","90","","90","","90","","5259.2","0.2","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(SIMes)AgMes","","- C30 H37 Ag N2 -","- C30 H37 Ag N2 -","- C240 H296 Ag8 N16 -","8","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1024","0.1035","","","","","","1.088","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570878","13.254","0.003","11.559","0.0016","38.103","0.005","90","","90","","90","","5837.5","1.7","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 O -","- C37 H38 O -","- C296 H304 O8 -","8","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0975","0.058","","","0.1279","0.1495","","","","","","1.0934","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570921","7.4526","0.0003","17.5917","0.0007","18.3383","0.0008","90","","90","","90","","2404.22","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pt S -","- C9 H13 Cl2 N3 Pt S -","- C72 H104 Cl16 N24 Pt8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.052","0.029","","","0.0499","0.0555","","","","","","1.027","","","","has coordinates","289700","2024-02-05","16:24:34",""
"1570922","7.4256","0.0004","17.6074","0.0012","18.3241","0.0013","90","","90","","90","","2395.8","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pd S -","- C9 H13 Cl2 N3 Pd S -","- C72 H104 Cl16 N24 Pd8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0396","0.0335","","","0.0787","0.085","","","","","","1.084","","","","has coordinates","289701","2024-02-05","16:47:25",""
"1571009","27.053","0.004","19.227","0.003","27.643","0.004","90","","90","","90","","14378","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl Fe2 N7 Si3 Zn -","- C58 H102 Cl Fe2.0001 N7 Si3 Zn0.9999 -","- C464 H816 Cl8 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex; Bartholomew, Amymarie K.; Powers, Tamara; Gu, Nina X.; Meyers, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes","Chemical Science","2024","","","","","10.1039/D3SC03606E","","","0.71073","MoKα","","0.0954","0.0563","","","0.1149","0.1307","","","","","","1.021","","","","has coordinates,has disorder","289830","2024-02-15","23:11:58",""
"1571013","27.1744","0.0009","19.1482","0.0007","27.5979","0.001","90","","90","","90","","14360.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl N7 Si3 Zn3 -","- C58 H102 Cl N7 Si3 Zn3 -","- C464 H816 Cl8 N56 Si24 Zn24 -","8","1","","Juda, Cristin E.; Handford, Rex; Bartholomew, Amymarie K.; Powers, Tamara; Gu, Nina X.; Meyers, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes","Chemical Science","2024","","","","","10.1039/D3SC03606E","","","0.71073","MoKα","","0.0528","0.0332","","","0.0721","0.0791","","","","","","1.028","","","","has coordinates,has disorder","289830","2024-02-15","23:11:59",""
"1571014","26.839","0.003","19.358","0.002","27.601","0.004","90","","90","","90","","14340","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H100 Cl Fe3 N7 Si3 -","- C57 H100 Cl Fe3 N7 Si3 -","- C456 H800 Cl8 Fe24 N56 Si24 -","8","1","","Juda, Cristin E.; Handford, Rex; Bartholomew, Amymarie K.; Powers, Tamara; Gu, Nina X.; Meyers, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes","Chemical Science","2024","","","","","10.1039/D3SC03606E","","","0.71073","MoKα","","0.0574","0.0426","","","0.1161","0.1258","","","","","","1.04","","","","has coordinates,has disorder","289830","2024-02-15","23:11:59",""
"1571021","10.767","0.0002","12.8036","0.0005","18.9389","0.0008","90","","90","","90","","2610.85","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 B N O2 -","- C14 H20 B N O2 -","- C112 H160 B8 N8 O16 -","8","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0466","0.0392","","","0.0962","0.1011","","","","","","1.045","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571064","10.1637","0.0006","19.7936","0.0011","25.9343","0.0016","90","","90","","90","","5217.4","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Br2 N4 O -","- C27 H24 Br2 N4 O -","- C216 H192 Br16 N32 O8 -","8","1","","Ballav, Nityananda; Saha, Shib Nath; Yadav, Shailesh; Baidya, Mahiuddin","Three-component dicarbofunctionalization of allylamines <i>via</i> nucleopalladation pathway: unlocking vicinal and geminal selectivity.","Chemical science","2024","15","13","4890","4896","10.1039/d4sc00607k","","","0.71073","MoKα","","0.0903","0.0531","","","0.1253","0.1443","","","","","","1.048","","","","has coordinates","290848","2024-04-04","22:49:12",""
"1571083","8.4826","0.0008","17.7973","0.0016","37.589","0.005","90","","90","","90","","5674.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Au B P -","- C30 H45 Au B P -","- C240 H360 Au8 B8 P8 -","8","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-Selective Stille-type Coupling of Acyl-Chlorides Upon Phosphine-Borane Au(I) Catalysis","Chemical Science","2024","","","","","10.1039/D3SC06193K","","","0.71073","MoKα","","0.0337","0.0224","","","0.0495","0.0528","","","","","","1.038","","","","has coordinates","290020","2024-03-01","23:15:39",""
"1571207","15.1125","0.0003","20.187","0.0005","27.1948","0.0006","90","","90","","90","","8296.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C248 H448 Au16 Cl48 N16 P16 Ti8 -","8","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniel L. J.","Pendulum-like Hemilability in a Ti-based Frustrated Lewis Trio","Chemical Science","2024","","","","","10.1039/D3SC06789K","","","0.71073","MoKα","","0.0669","0.0373","","","0.0739","0.083","","","","","","1.03","","","","has coordinates","290415","2024-03-08","23:16:25",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","290479","2024-03-13","03:23:06",""
"1571292","26.4396","0.0002","12.2954","0.00011","32.4346","0.0003","90","","90","","90","","10544","0.16","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C400 H488 Ag8 N16 O56 S32 Zr8 -","4","0.5","","Liu, Chao; Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Weidong; Li, Lanyan; Yan, Jun","Ag1+ Incorporation via Zr4±Anchored Metalloligand: Fine-Tuning the Catalytic Ag Sites in Zr/Ag Bimetallic Clusters for Enhanced eCO2RR-to-CO activity","Chemical Science","2024","","","","","10.1039/D3SC07005K","","x-ray","1.54184","CuKα","","0.0418","0.0354","","","0.0915","0.0957","","","","","","1.028","","","","has coordinates,has disorder","290629","2024-03-25","23:12:16",""
"1571299","22.7125","0.0003","7.217","0.0001","22.9642","0.0003","90","","90","","90","","3764.2","0.09","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O -","- C26 H24 O -","- C208 H192 O8 -","8","1","","Wang, Chun-Jiang; Lu, Yi-Nan; Che, Chao; Zeng, Guangjin; Chang, Xin; Dong, Xiu-Qin","Visible-Light-Enabled Stereoselective Synthesis of Functionalized Cyclohexylamine Derivatives via [4 + 2] Cycloadditions","Chemical Science","2024","","","","","10.1039/D4SC00667D","","x-ray","1.54184","CuKα","","0.0445","0.042","","","0.1107","0.1129","","","","","","1.036","","","","has coordinates","290652","2024-03-26","23:17:54",""
"1571318","20.9865","0.0004","19.1066","0.0005","25.5457","0.0005","90","","90","","90","","10243.3","0.4","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H84 Fe N4 P4 Si4 Sm -","- C32 H84 Fe N4 P4 Si4 Sm -","- C256 H672 Fe8 N32 P32 Si32 Sm8 -","8","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides","Chemical Science","2024","","","","","10.1039/D4SC01050G","","x-ray","1.54184","CuKα","","0.0532","0.0378","","","0.0905","0.0995","","","","","","1.02","","","","has coordinates","290732","2024-04-02","22:19:48",""
"1571393","10.8324","0.0004","16.0987","0.0006","31.5748","0.001","90","","90","","90","","5506.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 F6 Ir N6 P -","- C30 H22 F6 Ir N6 P -","- C240 H176 F48 Ir8 N48 P8 -","8","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0478","0.0319","","","0.0599","0.0707","","","","","","1.219","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571442","21.0576","0.0008","12.2737","0.0005","23.5735","0.001","90","","90","","90","","6092.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2","","- C24 H33 B21 -","- C24 H33 B21 -","- C192 H264 B168 -","8","1","","","","","","","","","","10.1039/D4SC00990H","","","0.71073","MoKα","","0.0649","0.0619","","","0.1513","0.1532","","","","","","1.088","","","","has coordinates","291233","2024-04-16","22:22:01",""
"1571449","8.3326","0.0002","12.8054","0.0003","32.7329","0.0008","90","","90","","90","","3492.67","0.14","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies","Chemical Science","2024","","","","","10.1039/D4SC01633E","","","0.81032","Synchrotron","","0.0505","0.05","","","0.1231","0.1234","","","","","","1.121","","","","has coordinates","291237","2024-04-16","22:24:15",""
"1571476","10.9082","0.0006","13.462","0.0007","28.21","0.0013","90","","90","","90","","4142.5","0.4","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core","Chemical Science","2024","","","","","10.1039/D4SC00745J","","x-ray","1.54184","CuKα","","0.097","0.0661","","","0.231","0.2934","","","","","","1.132","","","","has coordinates","291318","2024-04-22","22:20:00",""
"1571479","6.021","0.002","26.469","0.01","26.963","0.01","90","","90","","90","","4297","3","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl Si -","- C24 H29 Cl Si -","- C192 H232 Cl8 Si8 -","8","1","","Ma, Shengming; Song, Yulong; Fu, Chunling; Zheng, Jian","Copper-catalyzed Remote Double Functionalization of Allenynes","Chemical Science","2024","","","","","10.1039/D4SC00034J","","","0.71073","MoKα","","0.0628","0.0408","","","0.0897","0.1023","","","","","","1.03","","","","has coordinates","291319","2024-04-22","22:20:41",""
"1571488","8.297","0.0003","11.4089","0.0005","29.4395","0.0011","90","","90","","90","","2786.73","0.19","170.01","0.1","170.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical Stereoselective Synthesis of Polysubstituted 1,4-dicarbonyl Z-Alkenes via Three-Component Coupling of Sulfoxonium Ylides, Alkynes with Water","Chemical Science","2024","","","","","10.1039/D4SC01141D","","x-ray","0.71073","MoKα","","0.0509","0.041","","","0.1103","0.1158","","","","","","1.056","","","","has coordinates","291366","2024-04-26","22:09:10",""
"2000009","10.154","0.001","18.393","0.002","15.773","0.002","90","","90","","90","","2945.8","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C3 H14 F2 Ga3 N2 O13 P3 -","- C3 H14 F2 Ga3 N2 O13 P3 -","- C24 H112 F16 Ga24 N16 O104 P24 -","8","1","","Loiseau, Thierry; Retoux, Richard; Lacorre, Philippe; Férey, Gérard","Oxyfluorinated Microporous Compounds","Journal of Solid State Chemistry","1994","111","","427","436","10.1006/jssc.1994.1249","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","199798","2020-10-21","18:00:00",""
"2000041","25.043","0.008","21.253","0.007","13.188","0.006","90","","90","","90","","7019.17","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl32 Mo6 N6 O2 Sb4 -","- C28 Cl40 Mo12 N12 O2 Sb4 -","- C112 Cl160 Mo48 N48 O8 Sb16 -","4","0.5","","Ehrlich, Grant M.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J.","Preparation and Structure of [Mo~6~Cl~8~(CH~3~CN)~6~](SbCl~6~)~4~ · 2EtOH","Inorganic Chemistry","1995","34","16","4284","4286","10.1021/ic00120a042","","","","","","","0.066","","","0.066","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000109","17.863","0.015","15.317","0.013","13.109","0.01","90","","90","","90","","3586.72","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","strontium ethylenediammonium cyclo-tetraphosphate hydrate","","- C2 H20 N2 O17 P4 Sr -","- C2 H20 N2 O17 P4 Sr -","- C16 H160 N16 O136 P32 Sr8 -","8","1","","M. Bagieu-Beucher; A. Durif; J. C. Guitel","Structure of a strontium ethylenediammonium cyclo-tetraphosphate hydrate","Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.","1988","44","","2063","2065","10.1107/S0108270188008479","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000122","17","","7.323","","6.168","","90","","90","","90","","767.86","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 D4 I2 -","- C12 D8 I4 -","- C48 D32 I16 -","4","0.5","","Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi","Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations","Journal of Solid State Chemistry","1994","110","1","20","27","10.1006/jssc.1994.1129","","neutron","","","","","0.121","","","0.121","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000132","14.226","0.002","15.117","0.002","17.557","0.002","90","","90","","90","","3775.71","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H98 Al24 N8 O129 P32 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","1","0.125","","Marler, Bernd; Patarin, Joel; Sierra, Ligia","Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]","Microporous Materials","1995","5","3","151","159","10.1016/0927-6513(95)00056-F","","","","","","","0.069","","","0.069","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000167","11.4064","0.0007","13.098","0.002","20.848","0.002","90","","90","","90","","3114.7","0.6","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","ST0501","Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 2-(2,6-dimethoxyphenyl)benzofuran-4-carboxylate","Acta Crystallographica Section C","1991","47","12","2731","2733","10.1107/S0108270191004195","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000193","22.46","0.009","17.52","0.008","9.04","0.01","90","","90","","90","","3557","4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C36 H56 N4 O6 -","- C36 H56 N4 O6 -","- C144 H224 N16 O24 -","4","0.5","LI0069","Cheetham, G. M. T.; Harding, M. M.","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Bis(<i>m</i>-xylyl)bis(4,13-diaza-1,7,10-trioxacyclopentadecane): a multidentate macrocyclic complexing agent containing two 15-crown-5 rings","Acta Crystallographica Section C","1991","47","11","2478","2479","10.1107/S010827019100598X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000195","9.665","0.002","7.981","0.001","19.071","0.002","90","","90","","90","","1471.1","0.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","AL0471","Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.","Structure of <i>N</i>-methyl benzaldehyde nitrone","Acta Crystallographica Section C","1991","47","11","2484","2485","10.1107/S0108270191007199","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000217","22.525","0.002","11.73","0.002","7.568","0.002","90","","90","","90","","1999.6","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","ST0506","Gleason, W. B.; Brostrom, M.; Etter, M. C.; Johnson, R. B.","Structure of 4-cyano-4'-fluorobiphenyl","Acta Crystallographica Section C","1991","47","10","2131","2134","10.1107/S0108270191003451","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000228","8.783","0.002","9.304","0.003","26.993","0.005","90","","90","","90","","2205.8","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C10 H8 Cl Cu N O4 -","- C10 H8 Cl Cu N O4 -","- C80 H64 Cl8 Cu8 N8 O32 -","8","1","AB0196","Wang, J.-L.; Tian, G.-H.; Miao, F. M.; Liu, H.-Q.; Chen, R.-T.","Structure of the complex [<i>N</i>-(<i>p</i>-chlorophenyl)iminodiacetato]copper(II)","Acta Crystallographica Section C","1991","47","10","2205","2207","10.1107/S010827019100389X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000272","15.239","0.002","16.376","0.003","28.964","0.004","90","","90","","90","","7228.1","1.9","","","","","","","","","","","","7","P b c a","","","","","","- C19 H46 Cl2 Fe2 Mo3 N6 O13 -","- C19 H46 Cl2 Fe2 Mo3 N6 O13 -","- C152 H368 Cl16 Fe16 Mo24 N48 O104 -","8","1","ST0478","Lettko, K.; Liu, S.; Zubieta, J.","Structure of [<i>L</i>Fe(μ-MoO~4~)~3~Fe<i>L</i>].CH~2~Cl~2~.H~2~O (<i>L</i> = 1,4,7-trimethyl-1,4,7-triazacyclononane)","Acta Crystallographica Section C","1991","47","8","1723","1725","10.1107/S0108270191002111","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2000302","15.415","0.006","16.422","0.005","15.535","0.004","90","","90","","90","","3933","2","","","","","","","","","","","","5","P b c a","","","","","","- C14 H16 N10 Ni S2 -","- C14 H16 N10 Ni S2 -","- C112 H128 N80 Ni8 S16 -","8","1","MU0213","Koman, M.; Jóna, E.; Mašlejová, A.","Structural investigations of nickel(II) complexes. IX. Structure of tetrakis(imidazole)bis(isothiocyanato)nickel(II)","Acta Crystallographica Section C","1991","47","6","1206","1208","10.1107/S0108270190013920","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000311","5.9496","0.001","11.483","0.003","40.262","0.007","90","","90","","90","","2750.7","1","","","","","","","","","","","","4","P b c a","","","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C120 H128 O32 S8 -","8","1","ST0484","Lynch, V. M.; Daniel, D.; Martin, S. F.; Davis, B. E.","Structure of (±)-3-benzyloxy-2,3,3a,7a-tetrahydrobenzo[<i>b</i>]thiophen-5(4<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section C","1991","47","6","1340","1342","10.1107/S0108270190013142","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000334","6.694","0.001","17.498","0.001","34.959","0.005","90","","90","","90","","4094.8","0.9","","","","","","","","","","","","2","P b c a","","","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","ST0461","Abboud, K. A.; Simonsen, S. H.; Prasad, R. S.; Roberts, R. M.","Structure of <i>cis</i>-9,10-dibenzyl-9,10-dihydroanthracene at 193 K","Acta Crystallographica Section C","1991","47","4","880","882","10.1107/S0108270190010605","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000363","7.137","0.001","14.438","0.003","16.11","0.003","90","","90","","90","","1660","0.5","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C9 H9 N O3 -","- C9 H12 N O3 -","- C72 H96 N8 O24 -","8","1","AB0273","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of <i>p</i>-acetylbenzoic acid oxime","Acta Crystallographica Section C","1992","48","12","2163","2165","10.1107/S0108270192003159","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2000373","13.331","0.003","13.797","0.005","28.179","0.006","90","","90","","90","","5183","2","298","","298","","","","","","","","","5","P b c a","","","","","","- C25 H35 I N2 O4 -","- C25 H35 I N2 O4 -","- C200 H280 I8 N16 O32 -","8","1","NA0017","Dapporto, P.; Paoli, P.; Sega, A.","{2-[<i>p</i>-(<i>o</i>-Butoxybenzamido)benzoyloxy]ethyl}diethylmethylammonium iodide","Acta Crystallographica Section C","1992","48","12","2189","2192","10.1107/S010827019200413X","","","0.71069","Mo-Kalpha","","","0.065","","","0.07","","","","","3.05","3.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000385","17.488","0.003","22.287","0.004","22.811","0.003","90","","90","","90","","8891","2","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C36 H46 Cd Cl2 N4 O9 S4 -","- C36 H46 Cd Cl2 N4 O9 S4 -","- C288 H368 Cd8 Cl16 N32 O72 S32 -","8","1","BX0581","Castiñeiras, A.; Gómez, M. C.; Hiller, W.","Structure of tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II) diperchlorate monohydrate","Acta Crystallographica Section C","1992","48","12","2215","2218","10.1107/S0108270192004359","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2000427","12.947","0.001","9.401","0.003","20.005","0.003","90","","90","","90","","2434.9","0.9","","","","","","","","","","","","5","P b c a","","","","","","- C26 H24 Cu N2 O8 -","- C26 H24 Cu N2 O8 -","- C104 H96 Cu4 N8 O32 -","4","0.5","AL0524","Hoang, N. N.; Valach, F.; Macášková, L.; Melník, M.","Structure of copper(II) salicylates: bis(3-pyridylmethanol)bis(salicylato)copper(II)","Acta Crystallographica Section C","1992","48","11","1933","1936","10.1107/S0108270192003263","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000475","13.343","0.007","21.991","0.005","10.462","0.003","90","","90","","90","","3070","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H0 F4 N2 -","- C8 F4 N2 -","- C128 F64 N32 -","16","2","CR0414","Britton, D.","Structure of tetrafluoroisophthalonitrile","Acta Crystallographica Section C","1992","48","11","2040","2042","10.1107/S0108270192002567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000484","11.336","0.002","10.134","0.003","20.275","0.003","90","","90","","90","","2329.2","0.9","","","","","","","","","","","","4","P b c a","","","","","","- C12 H5 N3 O6 -","- C12 H5 N3 O6 -","- C96 H40 N24 O48 -","8","1","AL0528","Du, M.-H.; Hitchcock, P. B.","1,3-Dinitropyrrolo[1,2-<i>b</i>]isoquinoline-5,10-dione","Acta Crystallographica Section C","1992","48","11","2058","2060","10.1107/S0108270192002774","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000512","19.759","0.003","17.016","0.003","13.661","0.003","90","","90","","90","","4593.1","1.5","","","","","","","","","","","","6","P b c a","","","","","","- C16 H32 Cl2 N4 Ni O8 -","- C16 H32 Cl2 N4 Ni O8 -","- C128 H256 Cl16 N32 Ni8 O64 -","8","1","CR0408","Szalda, D. J.; Fujita, E.","Structures of <i>racemic</i> and <i>meso</i> (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate","Acta Crystallographica Section C","1992","48","10","1767","1771","10.1107/S0108270192002397","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000532","7.9333","0.0007","25.947","0.002","11.855","0.001","90","","90","","90","","2440.3","0.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","NA1001","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of 3-benzoylbenzamide oxime","Acta Crystallographica Section C","1992","48","10","1821","1823","10.1107/S010827019200458X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000595","14.23","0.004","19.283","0.004","14.628","0.004","90","","90","","90","","4013.9","1.8","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H26 F3 O3 S Ta -","- C18 H26 F3 O3 S Ta -","- C144 H208 F24 O24 S8 Ta8 -","8","1","HH0590","Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.","Cp,Cp*-dimethyltantalum triflate","Acta Crystallographica Section C","1992","48","9","1610","1612","10.1107/S0108270192001628","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190975","2020-10-21","18:00:00",""
"2000626","16.8","0.002","20.071","0.002","9.429","0.001","90","","90","","90","","3179.4","0.6","","","","","","","","","","","","3","P b c a","","","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","BR0013","Sicheri, F. V.; Derry, W. B.; Gupta, R. S.; Yang, D. S.-C.","Structure of 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole","Acta Crystallographica Section C","1992","48","9","1687","1689","10.1107/S0108270192001197","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000648","29.018","0.003","8.53","0.001","11.762","0.001","90","","90","","90","","2911.4","0.5","293","2","293","2","","","","","","","","4","P b c a","","","","1-Indanone-2-spiro-4'-N-phenylpiperidine","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","KA1005","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Forconi, H.; Caubère, P.","Structure and conformation of 1'-phenylindan-2-spiro-4'-piperidin-1-one","Acta Crystallographica Section C","1992","48","9","1727","1730","10.1107/S0108270192005328","","","1.54178","X-rayCuK-αmean","","","0.0395","","","0.0566","","","","","0.8064","0.8064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000670","32.017","0.009","23.557","0.007","7.933","0.003","90","","90","","90","","5983","3","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H34 N3 Nd O17 S3 -","- C18 H33 N3 Nd O17 S3 -","- C144 H264 N24 Nd8 O136 S24 -","8","1","MU0260","Starynowicz, P.","Structure of bis(4-aminobenzenesulfonato-<i>O</i>)heptaaquaneodymium 4-aminobenzenesulfonate hydrate","Acta Crystallographica Section C","1992","48","8","1414","1416","10.1107/S0108270192000593","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","191087","2020-10-21","18:00:00",""
"2000687","15.809","0.004","12.207","0.002","19.772","0.005","90","","90","","90","","3815.6","1.5","","","","","","","","","","","","6","P b c a","","","","","","- C21 H18 Cl N3 O S -","- C21 H18 Cl N3 O S -","- C168 H144 Cl8 N24 O8 S8 -","8","1","HU0407","Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.","Mesoionic compounds. 3. Structure of the hydrochloride of 5(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazolium-2-phenylaminide","Acta Crystallographica Section C","1992","48","8","1471","1474","10.1107/S0108270192000283","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000696","10.764","0.001","12.557","0.004","19.626","0.002","90","","90","","90","","2652.7","0.9","","","","","","","","","","","","6","P b c a","","","","","","- C12 H17 Cl N2 O Pd -","- C12 H17 Cl N2 O Pd -","- C96 H136 Cl8 N16 O8 Pd8 -","8","1","AS0592","Cho, I.; Yeo, H.; Whang, D.; Kim, K.","Structure of chloro[<i>N</i>-(3-dimethylamino-1-propyl)salicylideneaminato]palladium(II)","Acta Crystallographica Section C","1992","48","8","1488","1489","10.1107/S0108270192002543","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000714","6.552","0.002","25.794","0.006","19.412","0.005","90","","90","","90","","3280.7","1.5","","","","","","","","","","","","4","P b c a","","","","","","- C11 H18 N8 O8 -","- C11 H18 N8 O8 -","- C88 H144 N64 O64 -","8","1","HH0579","Flippen-Anderson, J. L.; George, C.; Gilardi, R.","Structure of 2,4,6-trinitro-8,10-dipropionyl-2,4,6,8,10-pentaazabicyclo[5.3.0]decane","Acta Crystallographica Section C","1992","48","8","1530","1531","10.1107/S0108270191015123","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000742","5.379","0.004","11.074","0.009","19.582","0.017","90","","90","","90","","1166.4","1.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H18 N2 O6 V2 -","- C6 H18 N2 O6 V2 -","- C24 H72 N8 O24 V8 -","4","0.5","AB0238","Tyršelová, J.; Pavelčík, F.","Structure of 1,6-hexanediammonium metavanadate","Acta Crystallographica Section C","1992","48","7","1207","1209","10.1107/S0108270191014269","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000758","16.454","0.003","17.353","0.003","17.674","0.001","90","","90","","90","","5046.4","1.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C25 H27 N5 Si -","- C25 H27 N5 Si -","- C200 H216 N40 Si8 -","8","1","HA0095","Whitby, R. J.; Webster, M.; Dennehy, R. D.","Structure of 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene","Acta Crystallographica Section C","1992","48","7","1252","1253","10.1107/S0108270191014464","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000775","8.604","0.002","14.29","0.004","24.924","0.004","90","","90","","90","","3064.4","1.2","","","","","","","","","","","","6","P b c a","","","","","","- C14 H10 F3 N3 O2 S -","- C14 H10 F3 N3 O2 S -","- C112 H80 F24 N24 O16 S8 -","8","1","CR0380","Wang, X.; Deng, R.; Wu, J.; Chen, Z.","Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone","Acta Crystallographica Section C","1992","48","7","1295","1297","10.1107/S0108270191014762","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000793","9.203","0.003","9.81","0.03","12.705","0.006","90","","90","","90","","1147","4","","","","","","","","","","","","3","P b c a","","","","","","- C10 H2 F12 -","- C10 H2 F12 -","- C40 H8 F48 -","4","0.5","ST0561","Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.","Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene","Acta Crystallographica Section C","1992","48","7","1339","1341","10.1107/S0108270191013963","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000794","20.301","0.005","8.952","0.002","14.707","0.006","90","","90","","90","","2672.8","1.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C12 H16 O5 S -","- C12 H16 O5 S -","- C96 H128 O40 S8 -","8","1","AB0261","Frydenvang, K.; Jensen, B.","Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane","Acta Crystallographica Section C","1992","48","7","1341","1343","10.1107/S0108270191014622","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000818","14.332","0.003","16.592","0.003","17.42","0.003","90","","90","","90","","4142.4","1.3","","","","","","","","","","","","6","P b c a","","","","","","- C10 H30 Cl2 O3 P4 Pd -","- C10 H30 Cl2 O3 P4 Pd -","- C80 H240 Cl16 O24 P32 Pd8 -","8","1","CR0282","Davies, J. A.; Pinkerton, A. A.; Vilmer, M.","<i>cis</i>-Di[bis(dimethylphosphino)methane <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate","Acta Crystallographica Section C","1992","48","6","1027","1029","10.1107/S0108270191013859","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","189069","2020-10-21","18:00:00",""
"2000827","7.311","0.001","5.565","0.001","88.01","0.01","90","","90","","90","","3580.7","0.9","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H34 O2 -","- C18 H34 O2 -","- C144 H272 O16 -","8","1","AS0516","Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the low-melting phase of petroselinic acid","Acta Crystallographica Section C","1992","48","6","1054","1057","10.1107/S0108270191012921","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000831","29.056","0.009","13.127","0.003","10.068","0.002","90","","90","","90","","3840.1","1.7","","","","","","","","","","","","3","P b c a","","","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C160 H288 O32 -","8","1","AS0535","Yasui, M.; Tsuchiya, T.; Iwasaki, F.; Nakayama, J.","Structure of 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene","Acta Crystallographica Section C","1992","48","6","1065","1068","10.1107/S010827019101301X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000898","10.249","0.002","8.853","0.002","29.687","0.004","90","","90","","90","","2693.6","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H21 F O3 S -","- C11 H21 F O3 S -","- C88 H168 F8 O24 S8 -","8","1","HA0061","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structure of the methanesulfonate ester of <i>trans</i>,<i>trans</i>-5-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","864","866","10.1107/S010827019101226X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000990","8.588","0.001","24.28","0.003","13.992","0.002","90","","90","","90","","2917.6","0.6","","","","","","","","","","","","4","P b c a","","","","","","- C16 H11 I Te -","- C16 H11 I Te -","- C128 H88 I8 Te8 -","8","1","LI0110","Zukerman-Schpector, J.; Dabdoub, M. J.; Dabdoub, V. B.; Pereira, M. A.","Structure of 3-iodo-2,5-diphenyltellurophene, C~16~H~11~ITe","Acta Crystallographica Section C","1992","48","4","767","768","10.1107/S0108270191011484","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001048","9.29","0.003","11.16","0.004","31.529","0.009","90","","90","","90","","3268.8","1.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C13 H23 N2 O5 P -","- C13 H23 N2 O5 P -","- C104 H184 N16 O40 P8 -","8","1","MU0248","Weichsel, A.; Lis, T.","Structure of triethylammonium phenylcarbamoyl phosphate","Acta Crystallographica Section C","1992","48","2","303","305","10.1107/S0108270191008636","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001103","10.773","0.001","25.953","0.001","10.818","0.001","90","","90","","90","","3024.6","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C128 H144 O40 -","8","1","AN0328","Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.","Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols","Acta Crystallographica Section C","1992","48","1","70","73","10.1107/S0108270191004456","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001105","13.32","0.004","31.654","0.015","6.991","0.003","90","","90","","90","","2948","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","AS0499","Mori, Y.; Hayakawa, A.; Maeda, K.","Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones","Acta Crystallographica Section C","1992","48","1","123","126","10.1107/S0108270191007904","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001245","7.5137","0.0009","19.178","0.002","27.731","0.006","90","","90","","90","","3996","1.1","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H30 Br N3 O4 -","- C16 H30 Br N3 O4 -","- C128 H240 Br8 N24 O32 -","8","1","AL1042","Elding-Pontén, M.","Structure of tetraethylammonium bromide‒succinimide (1/2)","Acta Crystallographica Section C","1993","49","11","1994","1996","10.1107/S010827019300455X","","","0.71069","MoKα","","","0.036","","","0.041","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001273","8.775","0.002","18.848","0.009","25.185","0.008","90","","90","","90","","4165","3","295","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C20 H18 N4 Ni O2 S2 -","- C20 H18 N4 Ni O2 S2 -","- C160 H144 N32 Ni8 O16 S16 -","8","1","HH1041","Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.","A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers","Acta Crystallographica Section C","1993","49","10","1706","1713","10.1107/S0108270193004597","","","0.71069","MoKα","","","0.065","","","0.083","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001300","11.8271","0.0004","11.9869","0.0004","13.0821","0.0005","90","","90","","90","","1854.65","0.11","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H12 Cl2 Pd -","- C8 H12 Cl2 Pd -","- C64 H96 Cl16 Pd8 -","8","1","HH1058","Kumar, R.; Maverick, A. W.; Fronczek, F. R.; Doyle, J. R.; Baenziger, N. C.; Howells, M. A. M.","The <i>Pbca</i> polymorph of dichloro(η^4^-1,5-cyclooctadiene)palladium(II)","Acta Crystallographica Section C","1993","49","10","1766","1767","10.1107/S0108270193003889","","","0.71073","MoKα","","","0.022","","","0.029","","","","","1.455","1.455","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001303","13.784","0.004","22.51","0.004","13.409","0.003","90","","90","","90","","4160.5","1.7","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-N,N-di-p-toluenesulphonamidoquinoline","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C184 H160 N16 O32 S16 -","8","1","AS1053","Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D.","8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline","Acta Crystallographica Section C","1993","49","10","1775","1777","10.1107/S0108270193002689","","","0.7107","MoKα","","","0.055","","","0.056","","","","","3.02","3.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001320","13.25","0.001","10.054","0.001","19.496","0.001","90","","90","","90","","2597.2","0.4","298","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.046","","","0.043","","","","","3.85","3.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001324","13.155","0.009","33.433","0.005","14.634","0.005","90","","90","","90","","6436","5","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C29 H38 I O9 P -","- C29 H36 I O9 P -","- C232 H288 I8 O72 P8 -","8","1","HA1047","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Structure of methyltris(2,4,6-trimethoxyphenyl)phosphonium iodide ethanol solvate","Acta Crystallographica Section C","1993","49","10","1852","1854","10.1107/S0108270193004317","","","0.71069","MoKα","","","0.059","","","0.081","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001335","12.4588","0.0011","7.8993","0.0005","13.222","0.002","90","","90","","90","","1301.3","0.2","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","BR1031","Davis, D. S.; Fronczek, F. R.; Gandour, R. D.","Ethynylenebis(2-methoxybenzene)","Acta Crystallographica Section C","1993","49","10","1833","1834","10.1107/S0108270193002732","","","1.54184","CuKα","","","0.039","","","0.063","","","","","4.054","4.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001375","18.98","0.03","13.24","0.02","30.18","0.05","90","","90","","90","","7584","2","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C26 H56 Cl6 O5 Ti2 -","- C26 H56 Cl6 O5 Ti2 -","- C208 H448 Cl48 O40 Ti16 -","8","1","AB1051","Iiskola, E.; Pelkonen, A.; Kakkonen, H. J.; Ahlgrén, M.; Pakkanen, T. A.; Pursiainen, J.","Structure of μ-oxo-bis[trichloro(2,2-diisobutyl-1,3-dimethoxypropane-<i>O</i>,<i>O</i>')titanium(IV)]","Acta Crystallographica Section C","1993","49","9","1607","1609","10.1107/S0108270193002148","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001398","12.337","0.004","12.888","0.006","9.677","0.007","90","","90","","90","","1538.6","1.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Amino-1-Propylammonium Perchlorate","","- C3 H11 Cl N2 O4 -","- C3 H12 Cl N2 O4 -","- C24 H96 Cl8 N16 O32 -","8","1","LI1052","Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.","3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded system","Acta Crystallographica Section C","1993","49","9","1656","1657","10.1107/S010827019300277X","","","0.71069","MoKα","","","0.039","","","0.0523","","","","","2.077","2.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001413","29.817","0.012","17.001","0.007","7.279","0.005","90","","90","","90","","3690","3","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","KA1026","Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Simonov, Y. A.; Kravtsov, V. Kh.","Structure of (±)-tetrahydropalmatine","Acta Crystallographica Section C","1993","49","9","1691","1693","10.1107/S0108270193002410","","","1.54178","CuKα","","","0.061","","","0.07","","","","","3.85","3.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001433","15.945","0.004","9.845","0.003","8.912","0.003","90","","90","","90","","1399","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H18 N2 Na2 O10 -","- C10 H18 N2 Na2 O10 -","- C40 H72 N8 Na8 O40 -","4","0.5","AL1024","Font-Bardia, M.; Solans, X.; Font-Altaba, M.","Sodium ion complexes with ethylenediaminetetraacetic acid","Acta Crystallographica Section C","1993","49","8","1452","1456","10.1107/S0108270193001350","","","0.71069","MoKα","","","0.063","","","0.066","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001518","16.662","0.002","12.99","0.002","12.226","0.002","90","","90","","90","","2646.2","0.7","297","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 O4 P2 Pt -","- C8 H18 O4 P2 Pt -","- C64 H144 O32 P16 Pt8 -","8","1","AS1038","Suzuki, Y.; Miyamoto, T. K.; Ichida, H.","(Oxalato-<i>O</i>,<i>O</i>')bis(trimethylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","7","1317","1318","10.1107/S0108270192013490","","","0.71069","MoKα","","","0.04","","","0.044","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001562","8.1213","0.0007","17.514","0.003","18.903","0.003","90","0.01","90","0.009","90","0.01","2688.7","0.7","287","","287","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(α-hydroxybenzyl)-methyl-8-azabicyclo[3.2.1]octan-3-one","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","CD1010","Li, J.; Quail, J. W.; Zheng, G. Z.; Majewski, M.","Structure of 2-(α-hydroxybenzyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section C","1993","49","7","1410","1412","10.1107/S0108270192013581","","","1.5418","CuKα","","0.072","0.048","","0.062","0.059","","","","2.219","2.619","2.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001601","17.615","0.001","15.4","0.002","13.786","0.002","90","","90","","90","","3739.7","0.8","","","","","","","","","","","","5","P b c a","","","","","","- C20 H25 Cl N2 O3 -","- C20 H25 Cl N2 O3 -","- C160 H200 Cl8 N16 O24 -","8","1","AS0505","Okamoto, K.; Fujii, S.; Tomita, K.","1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine monohydrochloride","Acta Crystallographica Section C","1993","49","6","1125","1127","10.1107/S0108270193001763","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001628","8.029","0.001","23.091","0.005","20.11","0.005","90","","90","","90","","3728.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H18 N6 O S3 -","- C14 H18 N6 O S3 -","- C112 H144 N48 O8 S24 -","8","1","OH1007","Hu, N.-H.; Zhang, S.-L.","Interactions of thiamine with anions. Structure of thiamine dithiocyanate","Acta Crystallographica Section C","1993","49","6","1178","1180","10.1107/S0108270192012630","","","0.71069","MoKα","","","0.052","","","0.047","","","","","1.91","1.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001676","12.2783","0.0008","21.5387","0.0006","41.9626","0.0002","90","","90","","90","","11097.4","0.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C58 H58 Cl4 P4 W2 -","- C58 H52 Cl4 P4 W2 -","- C464 H416 Cl32 P32 W16 -","8","1","HH1033","Cotton, F. A.; Eglin, J. L.; James, C. A.","Structural characterization of W^4^—WCl~4~(PMePh~2~)~4~","Acta Crystallographica Section C","1993","49","5","893","896","10.1107/S0108270193000666","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001799","6.962","0.004","13.754","0.007","22.974","0.012","90","","90","","90","","2200","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C88 H96 N32 O16 -","8","1","GR1000","De Bondt, H. L.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","Structure of 5-benzylamino-1-methyl-4-nitroimidazole","Acta Crystallographica Section C","1993","49","4","763","765","10.1107/S0108270192009570","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001860","21.493","0.007","11.721","0.004","8.345","0.001","90","","90","","90","","2102.3","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H22 N4 O2 P2 S2 -","- C18 H22 N4 O2 P2 S2 -","- C72 H88 N16 O8 P8 S8 -","4","0.5","SE1011","Engelhardt, U.; Stromburg, B.","2,8-Diphenoxy-2,8-dithioxo-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan","Acta Crystallographica Section C","1993","49","3","489","491","10.1107/S0108270192008679","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001895","23.01","0.04","13.91","0.01","7.58","0.04","90","","90","","90","","2426","14","","","","","","","","","","","","4","P b c a","","","","","","- C9 H9 Cl3 O4 -","- C9 H9 Cl3 O4 -","- C72 H72 Cl24 O32 -","8","1","AB0277","Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.","Structure of ethyl 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate","Acta Crystallographica Section C","1993","49","3","559","560","10.1107/S0108270192006991","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001951","7.288","0.001","12.432","0.003","24.392","0.002","90","","90","","90","","2210","0.6","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","HH1006","Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Patton, A.; Sharp, T. R.","A twisted pentacyclic ketone derivative","Acta Crystallographica Section C","1993","49","2","261","263","10.1107/S010827019200684X","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001966","12.036","0.003","28.753","0.003","8.451","0.003","90","","90","","90","","2924.6","1.3","","","","","","","","","","","","3","P b c a","","","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","1","CD0067","Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.","Structures of derivatives of the Diels‒Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone","Acta Crystallographica Section C","1993","49","2","303","307","10.1107/S0108270192007996","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001991","29.085","0.015","9.149","0.004","11.266","0.005","90","","90","","90","","2998","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C18 H15 O P -","- C18 H15 O P -","- C144 H120 O8 P8 -","8","1","MU1009","Thomas, J. A.; Hamor, T. A.","Structure of orthorhombic triphenylphosphine oxide: a redetermination at room temperature","Acta Crystallographica Section C","1993","49","2","355","357","10.1107/S0108270192006176","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002044","23.073","0.001","17.34","0.003","7.299","0.001","90","","90","","90","","2920.2","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C136 H144 O24 S8 -","8","1","AS0338","Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.","Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane","Acta Crystallographica Section C","1993","49","1","54","57","10.1107/S0108270192004529","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002072","36.276","0.007","10.469","0.003","8.229","0.003","90","","90","","90","","3125.2","1.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C17 H18 N2 O S -","- C17 H18 N2 O S -","- C136 H144 N16 O8 S8 -","8","1","CD0069","Eswaramoorthy, S.; Raju, K. S.; Ponnuswamy, M. N.","Structure of 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole","Acta Crystallographica Section C","1993","49","1","107","109","10.1107/S0108270192003469","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002101","22.669","0.006","15.663","0.006","12.995","0.004","90","","90","","90","","4614","3","294","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C176 H256 O64 -","8","1","ST1014","Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F.","Structure of a cyclotetradecadiene","Acta Crystallographica Section C","1993","49","1","165","167","10.1107/S0108270192008813","","","1.54184","CuKα","","","0.08","","","0.073","","","","","2.225","2.225","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002108","13.856","0.002","18.783","0.004","15.209","0.002","90","","90","","90","","3958.3","1.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5","","- C18 H25 Cl O8 -","- C18 H25 Cl O8 -","- C144 H200 Cl8 O64 -","8","1","BR1013","Ferguson, G.; Kaitner, B.; McKervey, M. A.; Owens, M.","5-Chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5 and 5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","Acta Crystallographica Section C","1993","49","1","179","182","10.1107/S0108270192009971","","","0.7093","MolybdenumKα","","0.112","0.036","","0.059","0.048","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002581","10.16","0.001","9.701","0.005","14.527","0.006","90","","90","","90","","1431.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) yttrium bis(molybdate)","","- Cu Mo2 O8 Y -","- Cu Mo2 O8 Y -","- Cu8 Mo16 O64 Y8 -","8","1","","Krueger, T F; Mueller-Buschbaum, Hk","Synthese und Struktur einer neuen Form von Cu Y Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","609","","55","58","10.1002/zaac.19926090310","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002592","10.302","0.003","9.796","0.005","14.697","0.006","90","","90","","90","","1483.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) samarium bis(molybdate)","","- Cu Mo2 O8 Sm -","- Cu Mo2 O8 Sm -","- Cu8 Mo16 O64 Sm8 -","8","1","","Krueger, T F; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallstruktur von Cu Sm Mo2 O8 und Cu Gd Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","79","83","10.1002/zaac.19926170112","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002593","10.2","0.007","9.779","0.007","14.646","0.045","90","","90","","90","","1460.9","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) gadolinium bis(molybdate)","","- Cu Gd Mo2 O8 -","- Cu Gd Mo2 O8 -","- Cu8 Gd8 Mo16 O64 -","8","1","","Krueger, T F; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallstruktur von Cu Sm Mo2 O8 und Cu Gd Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","79","83","10.1002/zaac.19926170112","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002619","11.2022","0.0025","5.4283","0.0015","15.5605","0.0019","90","","90","","90","","946.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Calcium bismuth vanadate","","- Bi Ca O5 V -","- Bi Ca O5 V -","- Bi8 Ca8 O40 V8 -","8","1","","Boje, J; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von Ca Bi V O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","521","524","10.1002/zaac.19936190315","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002700","10.4114","0.0022","9.8917","0.0083","14.8287","0.0026","90","","90","","90","","1527.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper praseodymium molybdenum oxide (1/1/2/8)","","- Cu Mo2 O8 Pr -","- Cu Mo2 O8 Pr -","- Cu8 Mo16 O64 Pr8 -","8","1","","Mueller-Buschbaum, Hk; Sedello, O","Ein Beitrag ueber Cu Pr Mo2 O8 und Cu Tb Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","647","650","10.1002/zaac.19946200411","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002701","10.2243","0.0026","9.7385","0.0035","14.6","0.0015","90","","90","","90","","1453.7","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper terbium molybdenum oxide (1/1/2/8)","","- Cu Mo2 O8 Tb -","- Cu Mo2 O8 Tb -","- Cu8 Mo16 O64 Tb8 -","8","1","","Mueller-Buschbaum, Hk; Sedello, O","Ein Beitrag ueber Cu Pr Mo2 O8 und Cu Tb Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","647","650","10.1002/zaac.19946200411","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002704","10.2857","0.0014","9.777","0.0077","14.6697","0.005","90","","90","","90","","1475.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) europium bis(molybdate)","","- Cu Eu Mo2 O8 -","- Cu Eu Mo2 O8 -","- Cu8 Eu8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Szillat, H","Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8","Journal of Alloys Compd.","1994","204","","231","235","10.1016/0925-8388(94)90096-5","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002705","10.1677","0.0013","9.6958","0.0031","14.5468","0.0026","90","","90","","90","","1434.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) holmium bis(molybdate)","","- Cu Ho Mo2 O8 -","- Cu Ho Mo2 O8 -","- Cu8 Ho8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Szillat, H","Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8","Journal of Alloys Compd.","1994","204","","231","235","10.1016/0925-8388(94)90096-5","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002707","10.359","0.0029","9.8432","0.0032","14.7602","0.0008","90","","90","","90","","1505","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) neodymium dimolybdate","","- Cu Mo2 Nd O8 -","- Cu Mo2 Nd O8 -","- Cu8 Mo16 Nd8 O64 -","8","1","","Müller-Buschbaum, Hk.; Sedello, O.","Die Kristallstrukturen von α-CuGdW~2~O~8~ und CuNdMo~2~O~8~","Journal of Alloys and Compounds","1994","204","1-2","237","241","10.1016/0925-8388(94)90097-3","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","200131","2020-10-21","18:00:00",""
"2002746","10.1951","0.0013","9.721","0.0015","14.563","0.003","90","","90","","90","","1443.3","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) dysprosium bis(molybdate)","","- Cu Dy Mo2 O8 -","- Cu Dy Mo2 O8 -","- Cu8 Dy8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Gallinat, S","Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","240","244","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002747","10.094","0.003","9.629","0.006","14.467","0.009","90","","90","","90","","1406.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) ytterbium bis(molybdate)","","- Cu Mo2 O8 Yb -","- Cu Mo2 O8 Yb -","- Cu8 Mo16 O64 Yb8 -","8","1","","Mueller-Buschbaum, Hk; Gallinat, S","Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","240","244","","","","","","","0.0629","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002792","7.242","0.004","12.433","0.003","9.932","0.003","90","","90","","90","","894.3","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dibarium diniobotellurate","","- Ba2 Nb2 O10 Te -","- Ba2 Nb2 O10 Te -","- Ba8 Nb8 O40 Te4 -","4","0.5","","Mueller-Buschbaum, Hk; Wedel, B","Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2 Nb2 Te O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1407","1410","","","","","","","0.0527","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002836","9.0661","0.001","9.0117","0.001","17.51288","0.001","90","","90","","90","","1430.8","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Strontium zinc oxovanadium bis(phosphate(V))","","- O9 P2 Sr V Zn -","- O9 P2 Sr V Zn -","- O72 P16 Sr8 V8 Zn8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S; Mertens, B","Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","985","988","","","","","","","0.1031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002837","8.838","0.004","8.915","0.004","19.37398","0.009","90","","90","","90","","1526.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium cadmium oxovanadium bis(phosphate(V))","","- Ba Cd O9 P2 V -","- Ba Cd O9 P2 V -","- Ba8 Cd8 O72 P16 V8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S; Mertens, B","Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","985","988","","","","","","","0.1081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002839","8.8137","0.001","9.039","0.001","18.53809","0.001","90","","90","","90","","1476.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium zinc oxovanadium(IV) bis(phosphate(V))","","- Ba O9 P2 V Zn -","- Ba O9 P2 V Zn -","- Ba8 O72 P16 V8 Zn8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S","Synthese und Kristallstruktur eines Barium-Zink-Vanadylphosphats Ba Zn (V O) (P O4)2 mit ((V O) (P O4))-Schichten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","367","371","","","","","","","0.0683","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002893","10.416","0.003","14.25","0.003","5.2038","0.0009","90","","90","","90","","772.4","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Al1.75 Na1.75 O4 Si0.25 -","- Al0.07 Na0.372 O0.184 Si0.07 -","- Al0.56 Na2.976 O1.472 Si0.56 -","8","1","AB0390","Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures","Acta Crystallographica Section B","1998","54","5","531","546","10.1107/S0108768197019927","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002895","10.385","0.001","14.198","0.003","5.1925","0.0006","90","","90","","90","","765.6","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Al1.55 Na1.55 O4 Si0.45 -","- Al0.116 Na0.456 O0.26 Si0.116 -","- Al0.928 Na3.648 O2.08 Si0.928 -","8","1","AB0390","Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures","Acta Crystallographica Section B","1998","54","5","531","546","10.1107/S0108768197019927","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002928","7.4544","0.0004","6.0826","0.0006","20.0946","0.0012","90","","90","","90","","911.13","0.12","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","BK0054","Kaduk, J.A.; Golab, J.T.","Structures of 2,6-disubstituted naphthalenes","Acta Crystallographica Section B","1999","55","1","85","94","10.1107/S0108768198008945","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002940","10.76","0.001","7.74","0.001","27.145","0.003","90","","90","","90","","2260.7","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium 3-benzoylthiophene-2-carboxylate","","- C12 H7 K O3 S -","- C12 H7 K O3 S -","- C96 H56 K8 O24 S8 -","8","1","BK0064","Craven, B. M.; Ballas, F. L.","Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate","Acta Crystallographica Section B","1999","55","3","375","379","10.1107/S0108768198012907","","","1.5418","CuKα","","0.034","0.032","","0.037","0.036","","","","2.486","2.561","2.561","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002969","21.937","0.008","15.327","0.003","6.924","0.001","90","","90","","90","","2328","2","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002980","22.811","0.003","22.029","0.003","10.7965","0.001","90","","90","","90","","5425.3","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,1-Tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)","","- C33 H30 N2 O4 -","- C33 H30 N2 O4 -","- C264 H240 N16 O32 -","8","1","CF0005","Ferguson, George; Glidewell, Christopher; Lavender, Emma S.","Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)","Acta Crystallographica Section B","1999","55","4","591","600","10.1107/S0108768199002657","","","0.7107","MolybdenumKα","","0.1305","0.0388","","","","0.1075","","","","","","0.874","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003029","16.387","0.001","20.022","0.001","13.758","0.006","90","","90","","90","","4514","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetrakis(benzyl)Zirconium","","","- C28 H28 Zr -","- C28 H28 Zr -","- C224 H224 Zr8 -","8","1","NA0084","Tedesco, C.; Immirzi, A.; Proto, A.","Structures of Homoleptic Benzyl Derviatives of Zirconium","Acta Crystallographica Section B","1998","54","4","431","437","10.1107/S0108768197017771","","","0.71069","MoKα","","0.1634","0.0362","","0.2267","0.0969","","","","1.001","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003058","20.0097","0.0013","15.249","0.002","10.4168","0.0018","90","","90","","90","","3178.5","0.7","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","F-TEMPO","4-(4-fluorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 F N2 O -","- C16 H22 F N2 O -","- C128 H176 F8 N16 O8 -","8","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.103","0.0425","","","","0.1397","","","","","","0.989","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003061","14.035","0.003","22.964","0.003","10.71","0.002","90","","90","","90","","3451.8","1.1","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-diCl-TEMPO","4-(3,5-dichlorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H21 Cl2 N2 O -","- C16 H21 Cl2 N2 O -","- C128 H168 Cl16 N16 O8 -","8","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.1287","0.0491","","","","0.1233","","","","","","0.996","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003078","12.934","0.003","14.748","0.003","15.858","0.003","90","","90","","90","","3024.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium iodide","","- C19 H9 I O3 -","- C19 H9 I O3 -","- C152 H72 I8 O24 -","8","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0496","0.0438","","","","0.1104","","","","","","1.196","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003079","12.817","0.003","15.196","0.003","15.396","0.003","90","","90","","90","","2998.6","1.1","120","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium tetrafluoroborate","","- C19 H9 B F4 O3 -","- C19 H9 B F4 O3 -","- C152 H72 B8 F32 O24 -","8","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.059","0.0437","","","","0.1239","","","","","","1.031","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003080","13.55","0.003","15.807","0.003","32.201","0.006","90","","90","","90","","6897","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluoroarsenate","","- C19 H9 As F6 O3 -","- C19 H9 As F6 O3 -","- C304 H144 As16 F96 O48 -","16","2","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0967","0.0572","","","","0.1779","","","","","","1.068","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003176","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003193","26.377","0.004","8.297","0.002","9.994","0.002","90","","90","","90","","2187.2","0.8","298","","","","","","","","","","","4","P b c a","","","","","","- C9 H15 O5 P -","- C9 H15 O5 P -","- C72 H120 O40 P8 -","8","1","","Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.","cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","251","253","10.1107/S0108270194008607","","","0.71069","MoKα","","","0.034","","","0.055","","","","","2.55","2.55","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003204","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","234","235","10.1107/S0108270194007249","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2003227","21.023","0.001","14.907","0.001","8.2059","0.0007","90","","90","","90","","2571.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C136 H88 N8 O24 -","8","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.0387","0.038","","0.0859","0.0825","","","","1.087","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003239","14.3565","0.0007","14.8021","0.0008","25.612","0.002","90","","90","","90","","5442.7","0.6","295","","","","","","","","","","slow cooling of p-xylene solution","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl8 O6 -","- C22 H24 Cl8 O6 -","- C176 H192 Cl64 O48 -","8","1","BK1038","Garcia, J. G.; Fronczek, F. R.","The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels‒Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1995","51","3","468","471","10.1107/S0108270194008681","","","0.71073","MoKα","","","0.035","","","0.037","","","","","1.468","1.468","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003267","8.411","0.002","7.094","0.001","19.349","0.004","90","","90","","90","","1154.5","0.4","293","","","","","","","","","","recrystallized from water","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 N5 S -","- C2 H7 N5 S -","- C16 H56 N40 S8 -","8","1","KA1069","Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.","Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone","Acta Crystallographica Section C","1995","51","3","442","445","10.1107/S0108270194005494","","","0.71073","MoKα","","","0.0333","","","0.0804","","","","","1.004","1.004","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003277","7.95","0.001","8.88","0.001","17.525","0.003","90","","90","","90","","1237.2","0.3","295","","","","","","","","","","Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water yields crystals on standing","4","P b c a","-P 2ac 2ab","","","","","- C5 H7 Li O4 -","- C5 H7 Li O4 -","- C40 H56 Li8 O32 -","8","1","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","1.5418","CuKα","","","0.037","","","0.051","","","","","2.74","2.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003303","10.716","0.001","17.431","0.004","35.029","0.007","90","","90","","90","","6543","2","295","","295","","","","","","","","The title compound was prepared by the interaction of cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling benzene--triethylamine solution (Chatt, Earborn, Ibekwe & Kapoor, 1967). Single crystals were formed on cooling to room temperature.","6","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Cl P2 Pt Si -","- C34 H34 Cl P2 Pt Si -","- C272 H272 Cl8 P16 Pt8 Si8 -","8","1","AB1204","Kapoor, P.; Lövqvist, K.; Oskarsson, Å.","The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1995","51","4","611","613","10.1107/S0108270194011170","","","0.7107","MoKα","","","0.0299","","","0.0336","","","","","1.302","1.302","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003321","13.778","0.002","13.2816","0.0013","26.188","0.003","90","","90","","90","","4792.2","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","azidotetrakis(trimethylphosphine)nickel(II) tetrafluoroborate","","- C12 H36 B F4 N3 Ni P4 -","- C12 H36 B F4 N3 Ni P4 -","- C96 H288 B8 F32 N24 Ni8 P32 -","8","1","BK1077","Carson, C. C.; Pike, R. D.; Carpenter, G. B.","Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","4","595","598","10.1107/S0108270194010553","","","0.71073","MoKα","","0.1242","0.0577","","0.1529","0.1337","","","","0.852","1.106","1.106","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003364","10.648","0.002","12.589","0.003","18.594","0.004","90","","90","","90","","2492.5","0.9","233","","233","","","","","","","","synthesized at UMIST","5","P b c a","-P 2ac 2ab","61","","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole","","- C13 H8 F6 N2 O -","- C13 H8 F6 N2 O -","- C104 H64 F48 N16 O8 -","8","1","LI1130","Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole","Acta Crystallographica Section C","1995","51","4","770","772","10.1107/S0108270194011881","","","0.71069","MoKα","","","0.0387","","","0.0458","","","","","1.15","1.15","","","","","has coordinates,has disorder","200173","2020-10-21","18:00:00",""
"2003368","12.835","0.003","17.596","0.003","16.015","0.003","90","","90","","90","","3616.9","1.2","298","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C104 H176 Cl16 O8 P8 Pt8 S8 -","4","0.5","MU1113","Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.","The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~","Acta Crystallographica Section C","1995","51","4","604","606","10.1107/S0108270194009108","","","0.71069","MoKα","","","0.0383","","","0.0428","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003396","18.548","0.009","11.886","0.005","9.393","0.003","90","","90","","90","","2070.8","1.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O -","- C14 H10 O -","- C112 H80 O8 -","8","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.048","","","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003416","15.438","0.002","15.343","0.002","12.685","0.001","90","","90","","90","","3004.6","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-diisopropyl(p-methylphenyl)glyoxylamide","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.081","","","0.074","","","","","6.3","6.3","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003497","14.29","0.003","13.571","0.002","27.314","0.008","90","","90","","90","","5297","2","296","","","","","","","","","","from acetone","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Nb O5 P2 W -","- C25 H27 Nb O5 P2 W -","- C200 H216 Nb8 O40 P16 W8 -","8","1","PA1107","Oudet, P.; Kubicki, M. M.; Moise, C.","Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten","Acta Crystallographica Section C","1995","51","5","811","813","10.1107/S0108270194007262","","","0.71073","MoKα","","","0.043","","","0.051","","","","","2.22","2.22","","","","","has coordinates","190987","2020-10-21","18:00:00",""
"2003559","9.477","0.001","7.463","0.001","26.727","0.003","90","","90","","90","","1890.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 K O5 -","- C8 H6 K O5 -","- C64 H48 K8 O40 -","8","1","HU1120","Kariuki, B. M.; Jones, W.","Potassium Hydrogen Phthalate Hemiperhydrate","Acta Crystallographica Section C","1995","51","6","1128","1130","10.1107/S0108270194012497","","","0.71069","MoKα","","0.1379","0.0449","","0.106","0.0859","","","","0.93","1.262","1.262","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003590","11.746","0.001","16.535","0.001","24.139","0.001","90","","90","","90","","4688.3","0.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N8 Ni O6 -","- C20 H24 N8 Ni O6 -","- C160 H192 N64 Ni8 O48 -","8","1","NA1132","Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.","[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate","Acta Crystallographica Section C","1995","51","6","1107","1109","10.1107/S010827019401406X","","","0.71073","MoKα","","","0.034","","","0.065","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003632","13.945","0.009","15.406","0.008","13.83","0.008","90","","90","","90","","2971","3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Br2 O4 -","- C13 H16 Br2 O4 -","- C104 H128 Br16 O32 -","8","1","AS1147","Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.","Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate","Acta Crystallographica Section C","1995","51","7","1397","1399","10.1107/S0108270195001235","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003633","11.528","0.003","9.166","0.001","14.655","0.002","90","","90","","90","","1548.5","0.5","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","AS1148","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","Phenyl Carbamidonitrile","Acta Crystallographica Section C","1995","51","7","1412","1414","10.1107/S0108270194014290","","","0.71073","MoKα","","","0.0436","","","0.0455","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003664","26.6","0.01","12.219","0.002","7.822","0.002","90","","90","","90","","2542.3","1.2","293","2","293","2","","","","","","","chemical synthesis (see Comment)","6","P b c a","-P 2ac 2ab","61","","4-[2-(methylamino)ethyl]-1,2-benzenediol 1-(dihydrogenphospate) hydrochloride","","- C9 H15 Cl N O5 P -","- C9 H15 Cl N O5 P -","- C72 H120 Cl8 N8 O40 P8 -","8","1","HA1141","Ianelli, S.; Nardelli, M.; Doggi, F.; Norcini, G.; Santangelo, F.","Hydrogen-Bonding Stabilization of <i>N</i>-Methyldopamine 4-<i>O</i>-Dihydrogenphosphate in HCl Acidic Solution: Synthesis of Z2055, a New Dopaminergic Prodrug","Acta Crystallographica Section C","1995","51","7","1338","1341","10.1107/S0108270194014721","","","1.54178","CuKα","","0.1368","0.1077","","0.2299","0.2085","","","","1.27","1.325","1.325","","","","","has coordinates","288349","2023-12-15","17:38:15",""
"2003688","14.788","0.004","7.47","0.002","24.188","0.004","90","","90","","90","","2672","1.1","293","2","293","2","","","","","","","recrystallized from benzene at room temperature","3","P b c a","-P 2ac 2ab","61","α-naphthoflavone","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","1","KA1111","Panneerselvam, K.; Soriano-García, M.","α-Naphthoflavone","Acta Crystallographica Section C","1995","51","7","1418","1420","10.1107/S0108270195000680","","","1.54178","CuKα","","0.05","0.0399","","0.1034","0.096","","","","1.112","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003708","8.653","0.001","11.418","0.005","18.018","0.002","90","","90","","90","","1780.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aRS,9aSR,9bSR)-Octahydro-1H-furo[3',4':4,5]isoxazolo[2,3-a] pyridin-1-one.","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0702","0.0378","","0.1182","0.0968","","","","1.075","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003714","30.328","0.003","15.279","0.002","12.499","0.004","90","","90","","90","","5792","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-butyl-2-methyl-3-[[3-(methoxycarbonyl)thien-2-yl]methyl]- -5-[[2'-(1H-tetrazol-5-yl)]][1,1'-biphenyl)-4-yl]methyl]pyrimidin-4(3H)-one","","- C30 H30 N6 O3 S -","- C30 H30 N6 O3 S -","- C240 H240 N48 O24 S8 -","8","1","NA1145","Destro, R.; Soave, R.","A New Non-Peptide Angiotensin II Receptor Antagonist","Acta Crystallographica Section C","1995","51","7","1383","1385","10.1107/S0108270195000722","","","0.71073","MoKα","","0.2153","0.0777","","0.153","0.1281","","","","0.903","1.279","1.279","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003716","9.891","0.002","6.492","0.001","14.84","0.002","90","","90","","90","","952.9","0.3","293","","","","","","","","","","produit Aldrich, recristallis\'e en refroidissant \`a 253 K","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C24 H40 N24 O16 -","8","1","PA1153","Tenon, J. A.; Carles, M.; Aycard, J.-P.","4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)","Acta Crystallographica Section C","1995","51","7","1440","1442","10.1107/S0108270195000199","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003725","18.959","0.003","13.339","0.003","19.684","0.002","90","","90","","90","","4978","1.5","297","","","","","","","","","","Acetone","3","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C256 H160 O48 -","16","2","TA1003","Yoon, M.; Kim, Y. H.; Cho, D. W.; Suh, I.-H.; Lee, J.-H.; Ryu, B.-Y.; Park, J.-R.","2,3-Diphenylmaleic Anhydride, an Analogue of <i>cis</i>-Stilbene","Acta Crystallographica Section C","1995","51","7","1374","1377","10.1107/S0108270194013892","","","0.71069","MoKα","","","0.0657","","","0.0657","","","","","3.0897","3.0897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003774","9.2037","0.0006","11.114","0.002","30.012","0.005","90","","90","","90","","3069.9","0.8","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Mo8 O14 Pr -","- Mo8 O14 Pr -","- Mo96 O168 Pr12 -","12","1.5","DU1118","Kerihuel, G.; Gougeon, P.","PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","8","1475","1478","10.1107/S0108270195002423","","","0.71073","MoKα","","","0.042","","","0.044","","","","","1.649","1.649","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003777","14.383","0.004","9.579","0.002","20.122","0.005","90","","90","","90","","2772.3","1.2","293","2","293","2","","","","","","","moved to publ/section/exptl/prep","3","P b c a","-P 2ac 2ab","61","","(+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","FG1057","Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.","(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone","Acta Crystallographica Section C","1995","51","8","1641","1643","10.1107/S0108270195001107","","","1.54178","CuKα","","0.0545","0.0478","","0.1427","0.1344","","","","1.081","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003794","20.32","0.003","18.618","0.004","5.095","0.002","90","","90","","90","","1927.5","0.9","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","JZ1016","Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.","5-Amino-8-methyl-2-quinolone Monohydrate","Acta Crystallographica Section C","1995","51","8","1689","1691","10.1107/S0108270195001867","","","1.54184","CuKα","","","0.054","","","0.062","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003806","13.188","0.002","7.722","0.001","21.178","0.003","90","","90","","90","","2156.7","0.5","298","","","","","","","","","","prepared in the laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","LI1128","Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.","2-(4-Hydroxyphenyl)benzothiazole","Acta Crystallographica Section C","1995","51","8","1629","1630","10.1107/S0108270195002071","","","0.71069","MoKα","","","0.0371","","","0.0573","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003820","13.029","0.002","25.722","0.009","13.791","0.006","90","","90","","90","","4622","3","293","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Cl2 Cr F6 N4 P -","- C17 H24 Cl2 Cr F6 N4 P -","- C136 H192 Cl16 Cr8 F48 N32 P8 -","8","1","MU1171","Wong, W.-T.; Leung, W.-H.","<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate","Acta Crystallographica Section C","1995","51","8","1494","1495","10.1107/S0108270195002241","","","0.71073","MoKα","","","0.074","","","0.088","","","","","3.061","3.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003826","7.9463","0.0015","9.549","0.005","26.364","0.006","90","","90","","90","","2000.5","1.2","293","2","293","2","","","","","","","slow evaporation of aqueous solution at 293K","4","P b c a","-P 2ac 2ab","61","","Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate","","- C8 H11 K O5 -","- C8 H11 K O5 -","- C64 H88 K8 O40 -","8","1","NA1143","Kim, S. A.","Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate","Acta Crystallographica Section C","1995","51","8","1486","1488","10.1107/S0108270195001673","","","0.71069","MoKα","","0.0674","0.0434","","0.1286","0.1121","","","","1.026","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003827","6.988","0.002","14.11","0.003","30.133","0.006","90","","90","","90","","2971.1","1.2","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","5","P b c a","-P 2ac 2ab","61","","3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C144 H96 F24 N8 O8 -","8","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0588","0.0554","","0.1543","0.1497","","","","1.181","1.212","1.212","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003853","18.278","0.012","13.866","0.007","13.52","0.005","90","","90","","90","","3427","3","193","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H27 B10 P -","- C9 H27 B10 P -","- C72 H216 B80 P8 -","8","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.095","","","0.082","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003885","8.641","0.001","8.76","0.001","24.335","0.003","90","","90","","90","","1842","0.4","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Cr0.4 Li1.14 Nb0.93 O12 P3 Sc0.67 -","- Cr0.394 Li1.5 Nb0.932 O12 P3 Sc0.674 -","- Cr3.152 Li12 Nb7.456 O96 P24 Sc5.392 -","8","1","DU1115","Rivier, S.; Angenault, J.; Couturier, J.-C.; Robert, F.; Quarton, M.","Li~1.14~Nb~0.93~Sc~0.67~Cr~0.40~(PO~4~)~3~","Acta Crystallographica Section C","1995","51","9","1735","1737","10.1107/S0108270195003088","","","0.71069","MoKα","","","0.03","","","0.033","","","","","2.54","2.54","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003922","9.0574","0.0009","11.658","0.004","25.697","0.004","90","0.013","90","0.02","90","0.02","2713.4","1.1","130","1","130","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1) endo 2-Norborneol 2,4-Dinitrobenzoate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C112 H112 N16 O48 -","8","1","KH1023","White, J. M.; Green, A. J.","<i>endo</i>-2-Norborneol 2,4-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1905","1906","10.1107/S0108270195002393","","","0.71069","MoKα","","0.0635","0.0437","","0.1366","0.1163","","","","1.152","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003930","14.301","0.006","13.037","0.005","20.981","0.014","90","","90","","90","","3912","3","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H29 N4 O12 V3 -","- C8 H29 N4 O12 V3 -","- C64 H232 N32 O96 V24 -","8","1","NA1147","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate Trihydrate","Acta Crystallographica Section C","1995","51","9","1752","1754","10.1107/S0108270195002022","","","0.71069","MoKα","","","0.0568","","","0.1261","","","","","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004005","5.274","0.001","12.087","0.001","20.053","0.002","90","","90","","90","","1278.3","0.3","296","2","296","2","","","","","","","SIGMA Chemical Co.","4","P b c a","-P 2ac 2ab","61","DL- PROLINE MONOHYDRATE","DL- PROLINE MONOHYDRATE","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C40 H88 N8 O24 -","8","1","HU1113","Padmanabhan, S.; Suresh, S.; Vijayan, M.","<small>DL</small>-Proline Monohydrate","Acta Crystallographica Section C","1995","51","10","2098","2100","10.1107/S0108270195003465","","","0.71068","MoKα","","0.0475","0.0391","","0.1107","0.1066","","","","1.049","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004034","10.668","0.001","14.687","0.002","18.82","0.002","90","","90","","90","","2948.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-phenyl-6,7,8,9-tetrahydro-[1,2,4]triazolo-[4,3-a]thieno[3,2-e]pyrimidin- 5(4H)-one.","","- C17 H14 N4 O S -","- C17 H13.4 N4 O S -","- C136 H107.2 N32 O8 S8 -","8","1","MU1178","Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K.","4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-<i>e</i>][1,2,4]triazolo[4,3-<i>a</i>]pyrimidin-5(4<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2092","2094","10.1107/S0108270195005129","","","0.71073","MoKα","","0.0459","0.0341","","0.0996","0.0938","","","","1.037","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004146","14.928","0.003","14.999","0.002","18.952","0.002","90","","90","","90","","4243.4","1.1","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N4 O2 S -","- C22 H26 N4 O2 S -","- C176 H208 N32 O16 S8 -","8","1","KA1128","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1-(Morpholinothiocarbonyl)-3,3-(oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2323","2325","10.1107/S0108270195007165","","","1.54184","CuKα","","","0.068","","","0.073","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004182","11.742","0.003","9.1","0.002","15.705","0.003","90","","90","","90","","1678.1","0.7","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H12 O3 -","- C8 H11 O3 -","- C64 H88 O24 -","8","1","PT1006","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","(±)-2-Oxocyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1995","51","11","2305","2307","10.1107/S0108270195006640","","","0.71073","MoKα","","","0.0446","","","0.0529","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004214","8.854","0.004","9.832","0.004","27.11","0.008","90","","90","","90","","2360","1.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","BM1013","Judas, N.; Kaitner, B.; Mestrovic, E.","1,3-Diphenylpropan-1-one","Acta Crystallographica Section C","1995","51","12","2656","2658","10.1107/S0108270195008730","","","0.71073","MoKα","","","0.037","","","0.061","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004221","18.479","0.004","14.511","0.005","14.389","0.004","90","","90","","90","","3858.4","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0)","","- C16 H21 Mo N2 O4 P -","- C16 H21 Mo N2 O4 P -","- C128 H168 Mo8 N16 O32 P8 -","8","1","CF1007","Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.","[Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)","Acta Crystallographica Section C","1995","51","12","2480","2482","10.1107/S0108270195007426","","","0.71069","MoKα","","0.0886","0.0362","","0.1275","0.0858","","","","0.653","0.617","0.617","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004242","6.531","0.006","11.659","0.002","32.198","0.007","90","","90","","90","","2452","2","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η-Cyclopentadienyl-oxoperoxo(trimethylsilylmethyl)tungsten","","- C9 H16 O3 Si W -","- C9 H16 O3 Si W -","- C72 H128 O24 Si8 W8 -","8","1","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.084","","","0.114","","","","","4.1","4.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004259","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H23 N2 Ni O2 -","- C184 H184 N16 Ni8 O16 -","8","1","JZ1023","Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.","{1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","12","2520","2522","10.1107/S0108270195007025","","","0.71093","MoKα","","0.1333","0.0377","","0.1202","0.0886","","","","0.998","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004284","33.131","0.003","7.792","0.001","7.256","0.001","90","","90","","90","","1873.2","0.4","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-nitroanilinium)tetrachlorocadmate","","- C12 H14 Cd Cl4 N4 O4 -","- C12 H14 Cd Cl4 N4 O4 -","- C48 H56 Cd4 Cl16 N16 O16 -","4","0.5","KH1041","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M.","Bis(4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1995","51","12","2534","2537","10.1107/S0108270195007384","","","0.7107","MoKα","","","0.028","","","0.034","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004335","10.48","0.003","8.926","0.003","19.503","0.006","90","","90","","90","","1824.4","1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N S2 -","- C9 H9 N S2 -","- C72 H72 N8 S16 -","8","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.038","","","0.04","","","","","1.223","1.223","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004382","20.275","0.006","17.006","0.004","11.038","0.004","90","","90","","90","","3806","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(dl)-Pheniramine hydrogen maleate","","","- C20 H2 N O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","FG1077","Parvez, M.; Rusiewicz, M.","<small>DL</small>-Pheniramine Hydrogen Maleate","Acta Crystallographica Section C","1996","52","1","83","85","10.1107/S010827019501047X","","","0.71069","MoKα","","","0.069","","","0.069","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004386","8.446","0.003","23.76","0.08","10.454","0.002","90","","90","","90","","2098","7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","HA1147","Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.","<i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact","Acta Crystallographica Section C","1996","52","1","136","139","10.1107/S0108270195011577","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004391","7.5415","0.001","18.3253","0.0024","13.382","0.003","90","","90","","90","","1849.4","0.5","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Ge O8 -","- C16 H24 Ge O8 -","- C64 H96 Ge4 O32 -","4","0.5","HU1094","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Bis(1,2-benzenediolato)dimethanolgermanium(IV)","Acta Crystallographica Section C","1996","52","1","31","33","10.1107/S0108270195007463","","","0.7107","MoKα","","","0.035","","","0.039","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004413","10.888","0.001","9.381","0.001","26.597","0.003","90","","90","","90","","2716.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dibenzylthiourea.","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C120 H128 N16 S8 -","8","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0537","0.0395","","0.114","0.1064","","","","1.032","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004455","9.708","0.002","14.039","0.001","26.302","0.002","90","","90","","90","","3584.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Oxymetazoline hydrochloride monohydrate","3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate.","","- C16 H27 Cl N2 O2 -","- C16 H27 Cl N2 O2 -","- C128 H216 Cl8 N16 O16 -","8","1","VJ1028","Sengupta, R.; Dattagupta, J. K.","An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","1","164","166","10.1107/S0108270195011401","","","1.54178","CuKα","","0.0828","0.0793","","0.223","0.2193","","","","1.105","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004464","11.2","0.01","7.627","0.007","17.56","0.01","90","","90","","90","","1500","2","298","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0354","","","0.0437","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004525","20.66","0.002","7.706","0.001","29.217","0.004","90","","90","","90","","4651.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","MU1215","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","Acta Crystallographica Section C","1996","52","2","414","416","10.1107/S0108270195012054","","","0.71073","MoKα","","0.0824","0.047","","0.2237","0.1343","","","","0.935","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004539","10.181","0.004","28.9","0.01","10.071","0.002","90","","90","","90","","2963.2","1.7","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isoxazolidines","(3α,3aα,6aα)-(hexahydro-2-phenylfuro[3,2-d]isoxazol-3-yl)phenylmethanone","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.162","0.048","","0.111","0.059","","","","1.779","1.337","1.337","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004572","13.9887","0.0009","23.444","0.001","7.8082","0.0006","90","","90","","90","","2560.7","0.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","AS1210","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 343, C~16~H~15~NO~4~","Acta Crystallographica Section C","1996","52","3","679","681","10.1107/S0108270195012820","","","1.54184","CuKα","","","0.044","","","0.058","","","","","2.56","2.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004628","9.248","0.001","10.942","0.001","11.199","0.001","90","","90","","90","","1133.24","0.19","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","hydrazinium pentafluoroaquagallate","","- F5 Ga H8 N2 O -","- F5 Ga H8 N2 O -","- F40 Ga8 H64 N16 O8 -","8","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.037","0.026","","0.024","0.019","","","","1.162","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004660","14.63","0.004","12.616","0.003","11.709","0.003","90","","90","","90","","2161.2","1","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl O Ti -","- C11 H13 Cl O Ti -","- C88 H104 Cl8 O8 Ti8 -","8","1","SX1010","Gibson, D. H.; Ding, Y.; Mashuta, M. S.; Richardson, J. F.","Chlorobis(η^5^-cyclopentadienyl)methoxytitanium","Acta Crystallographica Section C","1996","52","3","559","560","10.1107/S0108270195012297","","","0.71073","MoKα","","","0.039","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004665","17.578","0.003","9.909","0.004","22.945","0.004","90","","90","","90","","3996.6","1.9","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl Ni P -","- C23 H20 Cl Ni P -","- C184 H160 Cl8 Ni8 P8 -","8","1","TA1050","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","Chloro(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","Acta Crystallographica Section C","1996","52","3","535","537","10.1107/S0108270195011103","","","0.7107","MoKα","","","0.0323","","","0.021","","","","","1.728","1.728","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004707","8.104","0.001","9.975","0.001","9.986","0.002","90","","90","","90","","807.2","0.2","195","3","195","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromo-1,4-disilabutane","","- C2 H8 Br2 Si2 -","- C2 H8 Br2 Si2 -","- C8 H32 Br8 Si8 -","4","0.5","CF1041","Mitzel, N. W.; Riede, J.; Schmidbaur, H.","1,4-Dibromo-1,4-disilabutane","Acta Crystallographica Section C","1996","52","4","980","982","10.1107/S010827019501451X","","","0.71069","MoKα","","0.0485","0.0315","","0.0779","0.0676","","","","1.168","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004714","11.873","0.002","14.322","0.004","17.541","0.006","90","","90","","90","","2982.8","1.4","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","DE1005","Ghosh, K.; Pramanik, A.","(1<i>RS</i>,4a<i>SR</i>,12a<i>SR</i>)-1-Methyl-1,2,3,4,4a,5,6,7,12,12a-decahydrodibenzo[<i>a</i>,<i>d</i>]cyclooctene-1,4a-carbolactone","Acta Crystallographica Section C","1996","52","4","1029","1030","10.1107/S0108270195013199","","","0.71073","MoKα","","","0.0708","","","0.0705","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004730","15.442","0.003","14.865","0.004","30.383","0.007","90","","90","","90","","6974","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cu2 I2 N6 O2 -","- C32 H32 Cu2 I2 N6 O2 -","- C256 H256 Cu16 I16 N48 O16 -","8","1","FG1121","Bhaduri, S.; Rugmini, V.; Sapre, N. Y.; Jones, P. G.","Dimeric Iodo[1,1-di(2-pyridyl)-3-butenolato]copper(II) Bis(acetonitrile) Solvate, [Cu~2~(C~14~H~13~N~2~O)~2~I~2~].2CH~3~CN","Acta Crystallographica Section C","1996","52","4","804","806","10.1107/S0108270195013953","","","0.71073","MoKα","","0.0639","0.0344","","0.0973","0.0766","","","","1.072","1.016","1.016","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2004742","7.573","0.002","21.152","0.005","11.756","0.002","90","","90","","90","","1883.1","0.7","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H7 N O4 -","- C10 H7 N O4 -","- C80 H56 N8 O32 -","8","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.066","","","0.066","","","","","1.949","1.949","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004777","20.738","0.007","9.791","0.003","30.251","0.01","90","","90","","90","","6142","3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]- 5-phenyl-6-dimethoxymethyl-1H-imidazopyridine","","- C33 H33 N7 O2 -","- C33 H33 N7 O2 -","- C264 H264 N56 O16 -","8","1","KH1056","Shin, W.; Yoon, T.-S.; Yoo, S. E.","A Non-Peptide Angiotensin II Receptor Antagonist: 2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine","Acta Crystallographica Section C","1996","52","4","1019","1022","10.1107/S0108270195011978","","","1.5418","CuKα","","0.2565","0.1066","","0.3363","0.2575","","","","1.327","1.824","1.824","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004835","8.2","0.008","13.326","0.009","32.093","0.006","90","","90","","90","","3507","4","294","","","","","","","","","","","5","P b c a","","","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C144 H136 N8 O40 S8 -","8","1","BK1150","Kumaradhas, P.; Nirmala, K. A.","<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1996","52","5","1259","1261","10.1107/S0108270195015411","","","0.7093","MoKα","","","0.0455","","","0.1374","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004836","8.752","0.002","27.084","0.005","17.973","0.002","90","","90","","90","","4260.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H38 Cl N O4 -","- C16 H38 Cl N O4 -","- C128 H304 Cl8 N8 O32 -","8","1","BK1156","Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A.","<i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate","Acta Crystallographica Section C","1996","52","5","1223","1225","10.1107/S0108270195014636","","","0.7093","MoKα","","","0.0609","","","0.067","","","","","4.45","4.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004848","14.815","0.002","14.264","0.002","10.55","0.002","90","","90","","90","","2229.4","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1SR,2SR,6RS,7RS) 2-acetoxy-10-oxatricyclo[5.3.1.0^2,6^]undecan-11-one","","- C12 H16 O4 -","- C12 H16 O4 -","- C96 H128 O32 -","8","1","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.059","0.0493","","0.1309","0.1076","","","","1.123","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004900","6.374","0.001","9.917","0.002","26.743","0.003","90","","90","","90","","1690.5","0.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H12 O5 -","- C7 H12 O5 -","- C56 H96 O40 -","8","1","LI1141","Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.","Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate","Acta Crystallographica Section C","1996","52","5","1298","1299","10.1107/S0108270195015812","","","0.71073","MoKα","","0.0711","0.0472","","0.3476","0.1185","","","","1.082","1.068","1.068","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004927","11.792","0.002","8.563","0.002","13.061","0.004","90","","90","","90","","1318.8","0.6","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl2 N4 Ru -","- C8 H12 Cl2 N4 Ru -","- C32 H48 Cl8 N16 Ru4 -","4","0.5","TA1049","Bown, M.; Hockless, D. C. R.","<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]","Acta Crystallographica Section C","1996","52","5","1105","1106","10.1107/S0108270195015320","","","0.7107","MoKα","","","0.0208","","","0.0165","","","","","1.577","1.577","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004970","7.63","0.001","35.156","0.005","8.505","0.001","90","","90","","90","","2281.4","0.5","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","1","DE1008","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G.","7-Methoxyvasicinone Hydrate","Acta Crystallographica Section C","1996","52","6","1491","1493","10.1107/S0108270195010870","","","0.71073","MoKα","","","0.049","","","0.149","","","","","0.703","0.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004971","10.683","0.002","16.996","0.005","18.77","0.003","90","","90","","90","","3408","1.3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","DE1018","Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.","<i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~","Acta Crystallographica Section C","1996","52","6","1563","1565","10.1107/S0108270195015149","","","1.54184","CuKα","","","0.045","","","0.053","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005094","9.391","0.002","11.14","0.002","20.373","0.004","90","","90","","90","","2131.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2,3,4-tetrahydro-1,4-disulfinylphenanthrene","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","BM1051","Martinez-Alcazar, M. P.; Fonseca, I.; Cano, F. H.","2,3-Dihydro-1,4-dithiaphenanthrene 1,4-Dioxide","Acta Crystallographica Section C","1996","52","7","1787","1789","10.1107/S0108270196001771","","","1.5418","CuKα","","0.0818","0.0435","","0.1058","0.0917","","","","0.883","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005109","16.949","0.002","17.907","0.002","19.662","0.003","90","","90","","90","","5967.5","1.3","294","1","294","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(α-Ferrocenylphenacyl)triphenylphosphonium iodide","","- C36 H30 Fe I O P -","- C36 H30 Fe I O P -","- C288 H240 Fe8 I8 O8 P8 -","8","1","CF1086","Ahmed, S. Z.; Glidewell, C.; Ferguson, G.","Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide","Acta Crystallographica Section C","1996","52","7","1634","1636","10.1107/S0108270196003538","","","0.7107","MolybdenumKα","","0.1953","0.0552","","0.1132","0.0911","","","","0.802","1.151","1.151","","","","","has coordinates","192293","2020-10-21","18:00:00",""
"2005129","11.804","0.003","11.392","0.003","16.256","0.004","90","","90","","90","","2186","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","JZ1093","Wouters, J.; Häming, L.; Sheldrick, G.","HEPES","Acta Crystallographica Section C","1996","52","7","1687","1688","10.1107/S0108270196001187","","","1.54178","CuKα","","0.0501","0.0487","","0.1362","0.1334","","","","1.103","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005174","22.934","0.005","21.728","0.004","11.217","0.002","90","","90","","90","","5589.5","1.9","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,9-Di(hydroxymethyl)-3',4,11-trimethoxy-5'-[2''-hydroxy-5''- hydroxymethyl-3''-methoxyphenyl]dibenzo[d,f][1,3]dioxepin-2-spiro- 4'-cyclohexa-2',5'-dienone","","- C31 H30 O11 -","- C31 H30 O11 -","- C248 H240 O88 -","8","1","PA1229","Pajunen, A.; Karhunen, P.; Brunow, G.","5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone","Acta Crystallographica Section C","1996","52","7","1815","1817","10.1107/S0108270196003654","","","0.71073","MoKα","","0.0927","0.0547","","0.1379","0.1259","","","","0.861","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005180","9.808","0.001","11.591","0.002","17.86","0.001","90","","90","","90","","2030.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-biphenol monohydrate","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","SK1012","Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y.","2,2'-Biphenol Monohydrate","Acta Crystallographica Section C","1996","52","7","1727","1729","10.1107/S0108270196002065","","","0.71073","MoKα","","0.0772","0.0474","","0.1422","0.1211","","","","1.022","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005184","9.937","0.004","9.192","0.001","14.417","0.003","90","","90","","90","","1316.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chlorobenzimidazole","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C56 H40 Cl8 N16 -","8","1","SZ1041","Panneerselvam, K.; Soriano-García, M.","2-Chlorobenzimidazole","Acta Crystallographica Section C","1996","52","7","1799","1801","10.1107/S0108270195017203","","","1.54178","CuKα","","0.0499","0.0482","","0.1736","0.1515","","","","1.231","1.259","1.259","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005199","9.9456","0.0009","21.011","0.001","14.179","0.001","90","","90","","90","","2962.9","0.4","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-cyano-3-phenylazo-2-butenal carbazidoethylester-imin","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C112 H120 N40 O16 -","8","1","AB1357","Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W.","Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K","Acta Crystallographica Section C","1996","52","8","2093","2095","10.1107/S0108270196003095","","","1.54184","CuKα","","0.0501","0.035","","0.0829","0.0763","","","","1.014","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005221","11.851","0.006","15.298","0.009","27.35","0.02","90","","90","","90","","4958","5","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C216 H192 Cl8 N40 O16 -","8","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0425","0.0425","","0.1161","0.1161","","","","1.039","1.039","1.039","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005306","9.932","0.001","35.972","0.006","30.363","0.004","90","","90","","90","","10848","3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H25 N O Se Sn -","- C31 H25 N O Se Sn -","- C496 H400 N16 O16 Se16 Sn16 -","16","2","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","0.71073","MoKα","","0.0779","0.039","","0.0786","0.0625","","","","1.022","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005307","9.777","0.002","16.692","0.002","15.82","0.001","90","","90","","90","","2581.8","0.6","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methylseleno-N-phenylbenzamide","","- C14 H13 N O Se -","- C14 H13 N O Se -","- C112 H104 N8 O8 Se8 -","8","1","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","1.5418","CuKα(nickelfiltered)","","0.0392","0.029","","0.0795","0.0731","","","","1.049","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005335","13.4121","0.0001","13.6816","0.0001","13.8558","0.0001","90","","90","","90","","2542.53","0.03","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cd O12 Rb2 Si5 -","- Cd O12 Rb2 Si5 -","- Cd8 O96 Rb16 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.40285","synchrotron","","","0.073","","","0.165","","","","","0.903","0.903","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005336","13.6878","0.0003","13.7931","0.0003","13.7575","0.0003","90","","90","","90","","2597.38","0.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mn O12 Si5 -","- Cs2 Mn O12 Si5 -","- Cs16 Mn8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.29969","synchrotron","","","0.126","","","0.14","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005337","13.6487","0.0004","13.712","0.0004","13.6828","0.0004","90","","90","","90","","2560.75","0.13","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Co Cs2 O12 Si5 -","- Co Cs2 O12 Si5 -","- Co8 Cs16 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.30138","synchrotron","","","0.059","","","0.128","","","","","0.821","0.821","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005338","13.6147","0.0003","13.6568","0.0005","13.6583","0.0005","90","","90","","90","","2539.53","0.14","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Ni O12 Si5 -","- Cs2 Ni O12 Si5 -","- Cs16 Ni8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","0.9982","synchrotron","","","0.057","","","0.091","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005356","9.9062","0.001","9.838","0.001","24.061","0.003","90","","90","","90","","2344.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cyclophosphamide","N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide","","- C7 H15 Cl2 N2 O2 P -","- C7 H15 Cl2 N2 O2 P -","- C56 H120 Cl16 N16 O16 P8 -","8","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0513","0.0351","","0.0901","0.0839","","","","0.971","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005402","14.654","0.001","14.385","0.001","15.897","0.001","90","","90","","90","","3351.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(4-chlorophenyl)phosphine.","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0784","0.0402","","0.1053","0.0931","","","","0.881","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005406","11.13","0.004","13.028","0.004","24.74","0.02","90","","90","","90","","3587","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2,7,7-Trimethyl-4(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolyl- 3-carboxylate","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.1638","0.0502","","0.1492","0.1132","","","","1.037","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005446","11.8328","0.0016","7.5583","0.0014","12.387","0.003","90","","90","","90","","1107.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 5","4-methylpyridazin-3(2H)-one","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.207","0.0566","","0.1738","0.1085","","","","0.933","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005480","13.2001","0.0012","19.4239","0.0015","15.1868","0.0013","90","","90","","90","","3893.9","0.6","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[N-2-propylsalicylideneamino]cobalt(II)","","- C20 H24 Co N2 O2 -","- C20 H24 Co N2 O2 -","- C160 H192 Co8 N16 O16 -","8","1","CF1056","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1996","52","10","2434","2436","10.1107/S0108270196007111","","","0.71073","MoKα","","","0.035","","","0.04","","","","","1.27","1.27","","","","","has coordinates","198529","2020-10-21","18:00:00",""
"2005484","15.7468","0.0004","17.3677","0.0005","11.5306","0.0004","90","","90","","90","","3153.45","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","1.5418","CuKα","","0.0415","0.0387","","0.1055","0.102","","","","1.079","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005491","9.673","0.001","6.992","0.003","22.867","0.003","90","","90","","90","","1546.6","0.7","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trieuropium Boron Disilicate","","- B Eu3 O10 Si2 -","- B Eu3 O10 Si2 -","- B8 Eu24 O80 Si16 -","8","1","DU1155","Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J.","A New Europium Borosilicate, Eu~3~BSi~2~O~10~","Acta Crystallographica Section C","1996","52","10","2385","2387","10.1107/S0108270196005069","","","0.71073","MoKα","","","0.0527","","","0.0608","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005502","8.1325","0.0001","26.5942","0.0003","29.8727","0.0005","90","","90","","90","","6460.79","0.15","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C34 H22 F4 N3 O6 P3 -","- C34 H22 F4 N3 O6 P3 -","- C272 H176 F32 N24 O48 P24 -","8","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0777","0.0468","","0.1125","0.0818","","","","1.085","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005561","8.3438","0.0008","14.8912","0.0015","15.5405","0.0013","90","","90","","90","","1930.9","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[N-(1,2,3,4-tetrahydroquinolinyl)]prop-2-enal","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","1","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0584","0.0345","","0.1229","0.0773","","","","1.034","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005578","8.615","0.001","9.954","0.001","29.684","0.002","90","","90","","90","","2545.5","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Z-(O-Benzoyl)-2-aci-nitro-2-phenylacetonitrile","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C120 H80 N16 O24 -","8","1","BK1280","Powell, D. R.; Hanson, P. E.; Gellman, S. H.","(<i>Z</i>)-2-(Benzoyl-<i>aci</i>-nitro)-2-phenylacetonitrile","Acta Crystallographica Section C","1996","52","11","2945","2946","10.1107/S0108270196010827","","","1.54178","CuKα","","0.0398","0.037","","0.104","0.102","","","","1.095","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005584","5.974","0.0004","8.2261","0.0007","40.685","0.004","90","","90","","90","","1999.4","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Phenylindazole","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","1","BM1080","Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.","5-Phenylindazole","Acta Crystallographica Section C","1996","52","11","2894","2896","10.1107/S0108270196007068","","","1.5418","CuKα","","0.065","0.038","","0.057","0.044","","","","0.456","0.424","0.424","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005595","9.2943","0.0011","11.6858","0.001","31.698","0.002","90","","90","","90","","3442.8","0.5","296","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)","","- C18 H22 N2 Ni O2 -","- C18 H22 N2 Ni O2 -","- C144 H176 N16 Ni8 O16 -","8","1","CF1069","Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.","(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2‒)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","1996","52","11","2682","2684","10.1107/S010827019600964X","","","0.71073","MoKα","","","0.065","","","0.085","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005597","20.977","0.004","8.943","0.002","25.504","0.005","90","","90","","90","","4784.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole","","- C22 H23 Cl N4 O S3 -","- C22 H23 Cl N4 O S3 -","- C176 H184 Cl8 N32 O8 S24 -","8","1","CF1083","Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.","A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties","Acta Crystallographica Section C","1996","52","11","2939","2941","10.1107/S0108270196007135","","","1.54178","CuKα","","0.0978","0.064","","0.209","0.1745","","","","1.043","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005640","14.14","0.005","8.028","0.002","25.133","0.004","90","","90","","90","","2853","1.3","291","","291","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitro-α-methoxy-trans-chalcone","3-(4-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0758","0.0575","","0.176","0.1601","","","","1.063","1.162","1.162","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005655","18.308","0.002","7.262","0.001","22.805","0.003","90","","90","","90","","3032","0.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cu N3 O4 -","- C14 H17 Cu N3 O4 -","- C112 H136 Cu8 N24 O32 -","8","1","MU1236","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Svajlenová, O.","Aqua(3,5-dimethylpyrazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1996","52","11","2763","2766","10.1107/S0108270196008578","","","0.71073","MoKα","","","0.0472","","","0.1161","","","","","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005679","17.513","0.005","14.897","0.006","19.587","0.008","90","","90","","90","","5110","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H28 O5 -","- C33 H28 O5 -","- C264 H224 O40 -","8","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.0689","0.0389","","0.1041","0.0975","","","","0.97","1.222","1.222","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005684","7.603","0.001","13.634","0.002","13.405","0.002","90","","90","","90","","1389.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-aconitic acid","1-propene-cis(1,2),3-tricarboxylic acid","","- C6 H6 O6 -","- C6 H6 O6 -","- C48 H48 O48 -","8","1","SK1040","Nagel, N.; Endruschat, U.; Bock, H.","<i>cis</i>-Aconitic Acid at 150K","Acta Crystallographica Section C","1996","52","11","2912","2915","10.1107/S0108270196008220","","","0.71073","MoKα","","0.0505","0.0375","","0.0995","0.0917","","","","1.029","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005692","8.856","0.001","24.985","0.002","10.507","0.001","90","","90","","90","","2324.9","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1H)-one Methanol Solvate","","- C11 H15 N3 O2 -","- C11 H14 N3 O2 -","- C88 H112 N24 O16 -","8","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.05","","","0.131","","","","","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005694","13.841","0.002","9.308","0.003","26.308","0.006","90","0.02","90","0.02","90","0.02","3389.3","1.4","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O5 S -","- C16 H22 N2 O5 S -","- C128 H176 N16 O40 S8 -","8","1","TA1098","White, J. M.; Giordano, J.; Green, A. J.","<i>trans</i>-4-<i>tert</i>-Butylcyclohexyl 2,4-Dinitrobenzenesulfenate","Acta Crystallographica Section C","1996","52","11","2783","2785","10.1107/S0108270196008347","","","1.5418","CuKα(Ni-filtered)","","0.0552","0.0384","","0.1001","0.0898","","","","1.028","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005730","7.974","0.002","21.692","0.004","10.038","0.007","90","","90","","90","","1736.3","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 B2 Cu F8 N4 -","- C12 H16 B2 Cu F8 N4 -","- C48 H64 B8 Cu4 F32 N16 -","4","0.5","BM1074","Narayanan, B.; Bhadbhade, M. M.","Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","12","3049","3051","10.1107/S0108270196007354","","","0.71073","MoKα","","0.0628","0.0346","","0.1014","0.0925","","","","0.991","1.168","1.168","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005740","12.454","0.007","11.382","0.008","17.841","0.007","90","","90","","90","","2529","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-4-imidazoline-2-thione","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C120 H96 N16 S8 -","8","1","BM1103","Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.","1,3-Diphenyl-4-imidazoline-2-thione","Acta Crystallographica Section C","1996","52","12","3152","3154","10.1107/S0108270196010931","","","0.71073","MoKα","","0.0941","0.0492","","0.1075","0.0971","","","","0.82","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005785","17.5555","0.0011","7.3717","0.0007","26.736","0.002","90","","90","","90","","3460","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Z)-2-acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","KA1212","Li, S.; Lundquist, K.; Stomberg, R.","(<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene","Acta Crystallographica Section C","1996","52","12","3118","3121","10.1107/S0108270196011079","","","0.71069","MoKα","","0.1793","0.0474","","0.1629","0.1035","","","","1","1.081","1.081","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005789","8.526","0.001","13.857","0.001","18.519","0.001","90","","90","","90","","2187.9","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac. Cyclododeca-2.8-diyne-1.10-diole","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.1054","0.0444","","0.0929","0.0783","","","","0.882","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005795","21.86","0.02","12.48","0.02","11.047","0.008","90","","90","","90","","3014","6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole","","- C14 H18 B2 N4 -","- C14 H18 B2 N4 -","- C112 H144 B16 N32 -","8","1","MU1263","Engelhardt, U.; Park, S. S.","An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks","Acta Crystallographica Section C","1996","52","12","3248","3250","10.1107/S0108270196010232","","","0.71069","MoKα","","0.035","0.08","","0.197","0.03","","","","1.38","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005799","7.4614","0.0004","16.5571","0.0013","20.6129","0.0014","90","","90","","90","","2546.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-cyanophenol","o-Cyanophenol","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","MU1277","Beswick, C.; Kubicki, M.; Codding, P. W.","<i>o</i>-Cyanophenol","Acta Crystallographica Section C","1996","52","12","3171","3173","10.1107/S0108270196009419","","","1.54178","CuKα","","0.053","0.0401","","0.1033","0.0965","","","","1.059","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005810","23.953","0.003","22.097","0.003","11.477","0.004","90","","90","","90","","6075","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl- dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone","","- C26 H52 O3 Si2 -","- C26 H52 O3 Si2 -","- C208 H416 O24 Si16 -","8","1","NA1256","Kocienski, P. J.; Pelotier, B.; Webster, M.","(3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one","Acta Crystallographica Section C","1996","52","12","3150","3152","10.1107/S0108270196009158","","","0.71069","MoKα","","","0.0591","","","0.051","","","","","2.301","2.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005869","13.366","0.001","7.3869","0.0007","29.892","0.003","90","","90","","90","","2951.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-bromophenyl)-2-fluoroethanone (2,4-dinitrophenyl)hydrazone","","- C14 H10 Br F N4 O4 -","- C14 H10 Br F N4 O4 -","- C112 H80 Br8 F8 N32 O32 -","8","1","HA1178","Borwick, S. J.; Howard, J. A. K.; Lehmann, C. W.; O'Hagan, D.","1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine‒Hydrogen Bond","Acta Crystallographica Section C","1997","53","1","124","126","10.1107/S0108270196013133","","","0.71073","MoKα","","0.0496","0.0373","","0.0857","0.0771","","","","1.211","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005906","12.356","0.0011","13.624","0.0012","14.705","0.0015","90","","90","","90","","2475.4","0.4","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Mo O4 -","- C12 H14 Mo O4 -","- C96 H112 Mo8 O32 -","8","1","AB1394","Ülkü, D.; Tahir, M. N.; Özkar, S.","Tetracarbonyl(η^2:2^-1,5-cyclooctadiene)molybdenum(0)","Acta Crystallographica Section C","1997","53","2","185","187","10.1107/S0108270196012723","","","0.71073","MoKα","","","0.029","","","0.034","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005952","16.7","0.001","17.781","0.001","19.708","0.001","90","","90","","90","","5852.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetramethylammonium bis(trifluoroacetato)triphenylstannate","","- C26 H27 F6 N O4 Sn -","- C26 H27 F6 N O4 Sn -","- C208 H216 F48 N8 O32 Sn8 -","8","1","SK1049","Ng, S. W.; Kumar Das, V. G.","The First Example of a Discrete Di(carboxylato)triorganostannate: Tetramethylammonium Triphenylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1997","53","2","212","213","10.1107/S0108270196012292","","","0.71073","MoKα","","0.0853","0.0509","","0.131","0.1168","","","","0.99","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005985","13.735","0.003","16.082","0.006","14.255","0.004","90","","90","","90","","3148.7","1.6","296","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C8 H17 Cl Cu N6 O4 S -","- C7 H17 Cl Cu N7 O8 S -","- C56 H136 Cl8 Cu8 N56 O64 S8 -","8","1","CF1139","Hu, H.-M.; Sun, H.-S.; Chen, X.-H.; Zhao, Q.; Pan, Y.; Huang, X.-Y.; You, X.-Z.","(Diethylenetriamine)(imidazole)(thiocyanato)copper(II) Perchlorate","Acta Crystallographica Section C","1997","53","3","276","278","10.1107/S0108270196013893","","","0.71073","MoKα","","","0.041","","","0.056","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006005","10.005","0.003","17.535","0.003","16.509","0.002","90","","90","","90","","2896.3","1.1","293","","293","","","","","","","","","3","P b c a","","","","2,2-dimethyl-2,3-dihydro-1H-2-silacyclopent[l]phenanthrene","","- C18 H18 Si -","- C18 H18 Si -","- C144 H144 Si8 -","8","1","MU1274","Wagner, T.; Marx, H.-W.; Moss, S.","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-2-silacyclopenta[<i>l</i>]phenanthrene","Acta Crystallographica Section C","1997","53","3","344","345","10.1107/S0108270196013315","","","1.54184","CuKα","","","0.04","","","0.059","","","","","2.203","2.203","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006024","23.986","0.003","14.076","0.002","10.493","0.002","90","","90","","90","","3542.7","1","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","1","AB1419","Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E.","13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione","Acta Crystallographica Section C","1997","53","4","496","498","10.1107/S0108270196015284","","","0.71069","MoKα","","","0.052","","","0.056","","","","","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006028","11.799","0.002","25.195","0.004","9.009","0.002","90","0.01","90","0.02","90","0.01","2678.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bispentafluorophenylurea","N,N'-bispentafluorophenylurea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C104 H16 F80 N16 O8 -","8","1","BK1165","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","<i>N</i>,<i>N</i>'-Bis(pentafluorophenyl)urea","Acta Crystallographica Section C","1997","53","4","455","457","10.1107/S010827019601428X","","","0.71069","MoKα","","0.087","0.049","","0.107","0.0951","","","","1.021","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006038","14.119","0.005","11.617","0.004","41.81","0.03","90","","90","","90","","6858","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C288 H224 Cl64 -","16","2","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0849","0.0464","","0.0421","0.0361","","","","1.06","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006060","19.67","0.006","15.904","0.003","9.485","0.006","90","","90","","90","","2967","2","295","1","295","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","1","FG1252","Parvez, M.","Antazoline","Acta Crystallographica Section C","1997","53","4","506","508","10.1107/S0108270196015934","","","0.71069","MoKα","","0.198","0.0493","","0.2972","0.1289","","","","1.012","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006118","10.839","0.002","13.519","0.003","18.939","0.004","90","","90","","90","","2775.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Styrylsilatrane","E-1-(2-phenylethenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C14 H19 N O3 Si -","- C14 H19 N O3 Si -","- C112 H152 N8 O24 Si8 -","8","1","FR1023","Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A.","1-Styrylsilatrane","Acta Crystallographica Section C","1997","53","5","637","639","10.1107/S0108270197000310","","","0.56086","AgKα","","0.2333","0.0554","","0.1305","0.0879","","","","0.761","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006120","16.353","0.009","30.264","0.009","8.461","0.008","90","","90","","90","","4187","5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide","","- C29 H21 Br -","- C29 H21 Br -","- C232 H168 Br8 -","8","1","HA1185","Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)ethylbromide","Acta Crystallographica Section C","1997","53","5","644","646","10.1107/S0108270197000632","","","0.71073","MoKα","","0.129","0.0712","","0.2757","0.1871","","","","1.119","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006130","10.5774","0.0004","7.0688","0.0003","25.62","0.001","90","","90","","90","","1915.6","0.13","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Sulfobenzoic acid hydrate","Hydronium hydrogen 2-sulfobenzoate","","- C7 H8 O6 S -","- C7 H8 O6 S -","- C56 H64 O48 S8 -","8","1","KH1131","Ng, Seik Weng","Hydronium 2-Carboxybenzenesulfonate","Acta Crystallographica Section C","1997","53","5","633","634","10.1107/S0108270196015326","","","0.71073","MoKα","","0.0488","0.0393","","0.1121","0.1057","","","","1.032","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006147","8.94","0.003","14.259","0.004","25.929","0.007","90","","90","","90","","3305.3","1.7","158","2","158","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-Dimethyl-1,8,11-triaza-5-azoniumcyclotridecane Perchlorate Water.","","- C11 H29 Cl N4 O5 -","- C11 H29 Cl N4 O5 -","- C88 H232 Cl8 N32 O40 -","8","1","SK1026","Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M.","A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate","Acta Crystallographica Section C","1997","53","5","586","587","10.1107/S0108270196015193","","","0.71073","MoKα","","0.0777","0.0468","","0.1115","0.1039","","","","0.878","1.067","1.067","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006220","5.7618","0.0006","14.4939","0.0018","14.5031","0.0018","90","","90","","90","","1211.2","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thieno[2,3-c]pyridine","","- C7 H5 N S -","- C7 H5 N S -","- C56 H40 N8 S8 -","8","1","FG1264","Nerenz, Heiko; Grahn, Walter; Jones, Peter G.","Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine","Acta Crystallographica Section C","1997","53","6","787","789","10.1107/S0108270197002084","","","0.71073","MoKα","","0.0329","0.0263","","0.0776","0.0756","","","","1.06","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006264","8.754","0.002","15.055","0.003","26.742","0.005","90","","90","","90","","3524.4","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid","","- C17 H14 B Cl F N O7 -","- C17 H14 B Cl F N O7 -","- C136 H112 B8 Cl8 F8 N8 O56 -","8","1","AB1445","Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin","Boron Complex of a Member of the Quinolone Family","Acta Crystallographica Section C","1997","53","7","942","943","10.1107/S0108270197003491","","","0.71073","MoKα","","0.1014","0.0534","","0.1395","0.1128","","","","1.076","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006266","9.2739","0.0013","16.682","0.002","14.69","0.002","90","","90","","90","","2272.6","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate","","- C7 H13 N5 O6 -","- C7 H13 N5 O6 -","- C56 H104 N40 O48 -","8","1","AB1473","Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine‒Water (1/2)","Acta Crystallographica Section C","1997","53","7","890","892","10.1107/S0108270197003934","","","0.7107","MolybdenumKα","","0.121","0.0482","","0.1205","0.1043","","","","0.889","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006289","16.1059","0.0004","11.5721","0.0002","17.6135","0.0003","90","","90","","90","","3282.79","0.11","296","","","","","","","","","","","5","P b c a","","","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","CF1145","Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)","Acta Crystallographica Section C","1997","53","7","848","850","10.1107/S010827019700262X","","","0.71073","MoKα","","","0.0343","","","0.0408","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006355","8.9952","0.0013","20.46","0.002","9.864","0.002","90","","90","","90","","1815.4","0.5","98","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetravinylsilane","Tetraethenylsilane","","- C8 H12 Si -","- C8 H12 Si -","- C64 H96 Si8 -","8","1","AV1004","Bartkowska, Beata; Krüger, Carl","Tetravinylsilane","Acta Crystallographica Section C","1997","53","8","1066","1068","10.1107/S010827019700437X","","","0.71069","MoKα","","0.0463","0.0399","","0.1268","0.1222","","","","1.027","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006375","15.117","0.001","14.4592","0.0006","15.8539","0.0009","90","","90","","90","","3465.3","0.3","297","","","","","","","","","","","4","P b c a","","","","1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one","","- C19 H12 I2 O2 -","- C19 H12 I2 O2 -","- C152 H96 I16 O16 -","8","1","CF1169","Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","A Diiodo-Substituted 9-Anthracenone","Acta Crystallographica Section C","1997","53","8","1138","1139","10.1107/S0108270197004460","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.88","1.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006393","9.706","0.002","8.9898","0.0009","17.714","0.003","90","","90","","90","","1545.6","0.4","277","2","277","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl (E)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.1105","0.0438","","0.1366","0.0969","","","","1.108","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006409","10.3733","0.001","14.724","0.003","20.471","0.001","90","","90","","90","","3126.7","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","KH1140","Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II)","Acta Crystallographica Section C","1997","53","8","1012","1013","10.1107/S0108270197003636","","","0.7093","MolybdenumKα","","0.04","0.04","","0.032","0.032","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006424","12.015","0.003","9.8464","0.0015","14.912","0.002","90","","90","","90","","1764.2","0.6","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Thia-5,11-dioxatricyclo[6.2.1.0^3.8^]undec-9-en-4,4-dione","","- C8 H10 O4 S -","- C8 H10 O4 S -","- C64 H80 O32 S8 -","8","1","QA0008","Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L.","5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide","Acta Crystallographica Section C","1997","53","8","IUC9700009","","10.1107/S0108270197099472","","","0.7107","MolybdenumKα","","0.1175","0.052","","","0.1128","0.129","","","","","","0.958","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006466","18.033","0.009","14.019","0.009","8.973","0.005","90","","90","","90","","2268","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","α-(4‒Hydroxy phenyl)-N-Phenyl nitrone","N-(p-Hydroxy Benzylidene)phenylamine N-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","DE1054","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1997","53","9","1343","1344","10.1107/S010827019700560X","","","0.7071","MoKα","","0.146","0.035","","0.115","0.079","","","","0.972","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006473","15.266","0.002","16.262","0.003","14.1071","0.0015","90","","90","","90","","3502.2","0.9","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","FG1285","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate","Acta Crystallographica Section C","1997","53","9","1262","1263","10.1107/S0108270197005258","","","1.5418","CuKα","","0.0569","0.0406","","","","0.1178","","","","","","2.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006479","12.853","0.001","32.252","0.003","7.945","0.001","90","","90","","90","","3293.5","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 S -","- C18 H26 S -","- C144 H208 S8 -","8","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0641","0.0472","","","","0.1189","","","","","","2.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006545","11.388","0.002","10.171","0.002","11.767","0.005","90","0.03","90","0.03","90","0.01","1362.9","0.7","294","","294","","","","","","","","","4","P b c a","","","","","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.049","0.039","","","0.052","","","","","1.835","1.835","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006595","7.8931","0.0002","11.9354","0.0003","18.0705","0.0004","90","","90","","90","","1702.37","0.07","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Nitro-phenyl]-[1,3]dioxolane","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","1","KA1235","Bolte, Michael; Marx, Raimund; Scholtyssik, Maria","2-(3-Nitrophenyl)-1,3-dioxolane at 150K","Acta Crystallographica Section C","1997","53","10","1464","1466","10.1107/S0108270197007166","","","0.71073","MoKα","","0.0316","0.0286","","0.08","0.0785","","","","1.056","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006611","14.531","0.004","15.867","0.005","13.481","0.004","90","","90","","90","","3108.2","1.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 I N2 O -","- C14 H21 I N2 O -","- C112 H168 I8 N16 O8 -","8","1","OA1026","Mikata, Yuji","Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration","Acta Crystallographica Section C","1997","53","10","1486","1488","10.1107/S0108270197006926","","","0.7107","MoKα","","0.129","0.051","","0.096","0.071","","","","0.988","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006669","5.1928","0.0005","20.405","0.002","29.517","0.003","90","","90","","90","","3127.6","0.5","183","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dibenzoyl-1,4-benzoquinone","","- C20 H12 O4 -","- C20 H12 O4 -","- C160 H96 O32 -","8","1","FG1318","Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju","2,6-Dibenzoyl-1,4-benzoquinone","Acta Crystallographica Section C","1997","53","11","1653","1655","10.1107/S0108270197007579","","","0.71073","MoKα","","0.1025","0.0517","","0.1448","","0.1448","","","1.04","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006689","11.2152","0.0005","9.3864","0.0005","26.2788","0.0009","90","","90","","90","","2766.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Ethylimidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C112 H120 Cu8 N24 O24 -","8","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0498","0.0368","","0.1067","0.0996","","","","1.031","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006692","34.05","0.005","11.3","0.003","8.347","0.002","90","","90","","90","","3211.6","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-chlorophenyl)-2-(N-acetylthiocarbamato)-ethanoic acid acetonitrile (1:1)","","- C13 H13 Cl N2 O4 S -","- C13 H13 Cl N2 O4 S -","- C104 H104 Cl8 N16 O32 S8 -","8","1","JZ1220","Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert","2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid‒Acetonitrile (1/1)","Acta Crystallographica Section C","1997","53","11","1677","1679","10.1107/S0108270197008627","","","0.71073","MoKα","","0.0973","0.049","","0.122","0.0976","","","","1.038","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006696","8.352","0.001","10.664","0.001","12.65","0.001","90","","90","","90","","1126.68","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O S -","- C5 H5 N O S -","- C40 H40 N8 O8 S8 -","8","1","KA1236","Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa","Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1997","53","11","1631","1634","10.1107/S0108270197008834","","","0.71093","MoKα","","0.0414","0.0294","","0.0744","0.0679","","","","1.083","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006707","14.922","0.002","15.157","0.002","23.606","0.003","90","","90","","90","","5339","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl- xanthylium Iodide Monohydrate","","- C28 H33 I N2 O4 -","- C28 H33 I N2 O4 -","- C224 H264 I8 N16 O32 -","8","1","MU1330","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You","<i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate","Acta Crystallographica Section C","1997","53","11","1619","1620","10.1107/S0108270197009360","","","0.71073","MoKα","","0.1016","0.0596","","0.2024","0.1788","","","","0.984","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006710","8.836","0.001","10.065","0.001","19.071","0.005","90","","90","","90","","1696.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetoylphenylhydrazone","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","MU1336","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun","<i>N</i>-Acetoylphenylhydrazone","Acta Crystallographica Section C","1997","53","11","1621","1622","10.1107/S0108270197009402","","","0.71073","MoKα","","0.0624","0.0477","","0.1409","0.1308","","","","0.987","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006751","10.903","0.002","8.603","0.002","26.175","0.005","90","","90","","90","","2455.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","N^1^, N^2^-Diphenylacetamidine","","","- C14 H14 N2 -","- C14 H14 N2 -","- C112 H112 N16 -","8","1","AB1499","Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H.","<i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine","Acta Crystallographica Section C","1997","53","12","1968","1971","10.1107/S0108270197011347","","","0.71073","MoKα","","0.1382","0.0453","","0.1079","0.0926","","","","0.672","1.117","1.117","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006825","18.012","0.002","18.039","0.002","7.579","0.001","90","","90","","90","","2462.6","0.5","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","","- C14 H12 O6 -","- C14 H12 O6 -","- C112 H96 O48 -","8","1","FR1083","Gerkin, Roger E.","5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1987","1989","10.1107/S0108270197011475","","","0.71073","MoKα","","","0.065","","","","0.059","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006834","13.307","0.002","24.15","0.003","14.74","0.002","90","","90","","90","","4736.9","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexamethylenetetramine‒1,1,1-tris(4-hydroxyphenyl)ethane (1/1).","","- C26 H30 N4 O3 -","- C26 H30 N4 O3 -","- C208 H240 N32 O24 -","8","1","JZ1225","Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R.","Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine‒1,1,1-Tris(4-hydroxyphenyl)ethane (1/1)","Acta Crystallographica Section C","1997","53","12","1978","1980","10.1107/S010827019701086X","","","0.7107","MolybdenumKα","","0.1996","0.0601","","0.1292","0.1025","","","","0.819","1.227","1.227","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006874","6.814","0.001","9.497","0.002","16.374","0.002","90","","90","","90","","1059.6","0.3","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium bis(malonato)cuprate(II) dihydrate","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","QB0022","Barnes, John C.; Weakley, Timothy J.R.","Disodium Bis(malonato)cuprate(II) Dihydrate","Acta Crystallographica Section C","1997","53","12","IUC9700026","","10.1107/S0108270197099307","","","0.71073","MoKα","","0.0747","0.0476","","","","0.1425","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006882","10.703","0.002","10.99","0.001","17.584","0.005","90","","90","","90","","2068.3","0.7","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","","0.059","","","","0.1562","","","","","","0.725","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006905","15.9349","0.0006","8.0535","0.0003","18.6618","0.0009","90","","90","","90","","2394.9","0.17","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","BM1189","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","Acta Crystallographica Section C","1998","54","1","123","125","10.1107/S0108270197012894","","","0.71073","MoKα","","0.0693","0.0421","","","","0.1045","","","","","","0.885","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006916","26.345","0.006","24.531","0.007","6.073","0.01","90","","90","","90","","3925","7","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C184 H168 N8 O16 S8 -","8","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.046","","","","0.122","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006934","11.356","0.002","13.243","0.002","20.002","0.003","90","","90","","90","","3008.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 3,7-Hypoxanthyldiacetate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C104 H128 N32 O40 -","8","1","JZ1236","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","Diethyl 3,7-Hypoxanthyldiacetate","Acta Crystallographica Section C","1998","54","1","114","116","10.1107/S0108270197011906","","","1.54178","CuKα","","0.049","0.042","","0.125","0.118","","","","1.057","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006937","13.5174","0.0014","13.919","0.0013","17.0708","0.0015","90","","90","","90","","3211.8","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3', 4'-dimethoxy-N-methyl-4-stilbazolium tetrafluoroborate","4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-methylpyridinium tetrafluoroborate","","- C16 H18 B F4 N O2 -","- C16 H18 B F4 N O2 -","- C128 H144 B8 F32 N8 O16 -","8","1","KA1254","De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","138","140","10.1107/S0108270197012559","","","0.71073","MoKα","","0.071","0.038","","0.103","0.094","","","","0.891","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006988","12.89","0.006","11.187","0.004","29.565","0.013","90","","90","","90","","4263","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C144 H208 N48 O64 -","16","2","BM1120","Shishkin, O. V.; Atroschenko, Yu. M.; Gitis, S. S.; Alifanova, E. N.; Shakhkeldyan, I. V.","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","Acta Crystallographica Section C","1998","54","2","271","273","10.1107/S0108270197013279","","","0.71073","MoKα","","0.2209","0.0802","","0.3034","0.1457","","","","1.094","1.365","1.365","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006989","13.803","0.003","10.78","0.016","17.272","0.007","90","","90","","90","","2570","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O5 S -","- C13 H8 N2 O5 S -","- C104 H64 N16 O40 S8 -","8","1","BM1162","Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.","Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)","Acta Crystallographica Section C","1998","54","2","251","253","10.1107/S010827019701353X","","","0.71073","MoKα","","0.0766","0.0392","","","","0.1067","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007033","8.945","0.003","8.664","0.002","47.029","0.009","90","","90","","90","","3644.7","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-3,3,6-tribromo-2-phenyl-4H-1-benzopyran- 4-one","","- C17 H13 Br3 O5 -","- C17 H13 Br3 O5 -","- C136 H104 Br24 O40 -","8","1","QA0028","Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","2","IUC9800001","","10.1107/S0108270198099843","","","0.71073","MoKα","","0.2065","0.0826","","0.2357","0.1958","","","","0.833","1.235","1.235","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007074","8.597","0.001","15.42","0.002","22.449","0.003","90","","90","0.02","90","","2976","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O5 S -","- C14 H11 N3 O5 S -","- C112 H88 N24 O40 S8 -","8","1","DU1181","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pepe, Gerard","2-Acétamido-2',4'-dinitrodiphénylsulfure","Acta Crystallographica Section C","1998","54","3","391","392","10.1107/S0108270197013462","","","0.71069","MoKα","","0.0476","0.0438","","0.0897","0.0893","","","","0.968","1.292","1.292","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007115","22.935","0.004","27.125","0.003","8.332","0.001","90","","90","","90","","5183.4","1.2","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ambroxol Theophylline-7-Acetate Salt Monohydrate","Cyclohexanol-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-trans -mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6,dioxo-7H-purine-7-acetate) (salt)","","- C22 H30 Br2 N6 O6 -","- C22 H30 Br2 N6 O6 -","- C176 H240 Br16 N48 O48 -","8","1","NA1242","Giuseppetti, Giuseppe; Mazzi, Fiorenzo; Tadini, Carla; Giordano, Ferdinando; Bettinetti, Giampiero; Sorrenti, Milena; Gazzaniga, Andrea","Ambroxol Theophylline-7-acetate Salt Monohydrate","Acta Crystallographica Section C","1998","54","3","407","410","10.1107/S0108270196009328","","","0.7107","MoKα","","0.174","0.086","","0.19","","0.143","","","1.187","","","1.317","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007136","7.424","0.004","14.303","0.003","26.51","0.002","90","","90","","90","","2815","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","AB1510","Elerman, Yalc̨in; Elmali, Ayhan","2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section C","1998","54","4","529","531","10.1107/S0108270197013991","","","0.71069","MoKα","","0.0371","0.0338","","0.0902","0.0876","","","","1.083","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007142","12.004","0.002","19.108","0.002","20.328","0.002","90","","90","","90","","4662.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ferrocenylbenzonitrile","3,6-Dimethoxy-2-[α-ferrocenyl-α-(2',5'-dimethoxy- phenyl)]methylbenzonitrile","","- C28 H27 Fe N O4 -","- C28 H27 Fe N O4 -","- C224 H216 Fe8 N8 O32 -","8","1","BK1350","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile","Acta Crystallographica Section C","1998","54","4","462","464","10.1107/S010827019701442X","","","0.71073","MoKα","","0.081","0.043","","0.102","0.086","","","","1.02","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007168","23.106","0.013","16.445","0.012","7.985","0.007","90","","90","","90","","3034","4","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N S -","- C18 H17 N S -","- C144 H136 N8 S8 -","8","1","FG1388","Fu, Tai Y.; Scheffer, John R.; Trotter, James","3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione","Acta Crystallographica Section C","1998","54","4","496","497","10.1107/S0108270197015904","","","0.7107","MoKα","","","0.063","","","","0.206","","","","","","1.225","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007203","11.188","0.004","13.672","0.009","27.352","0.002","90","","90","","90","","4184","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C224 H160 N16 O8 -","8","1","AB1463","Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian","1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one","Acta Crystallographica Section C","1998","54","5","629","630","10.1107/S0108270197017411","","","1.5418","CuKα","","0.0714","0.059","","0.1735","0.1634","","","","1.103","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007249","17.786","0.002","14.504","0.001","7.437","0.003","90","","90","","90","","1918.5","0.8","295","0.1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis{μ-chloro-[chloro-2-ammoniobenzenethiolato]mercury(II)}","","- C12 H14 Cl4 Hg2 N2 S2 -","- C12 H14 Cl4 Hg2 N2 S2 -","- C48 H56 Cl16 Hg8 N8 S8 -","4","0.5","MU1360","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena","Di-μ-chloro-bis[(2-ammoniobenzenethiolato-<i>S</i>)chloromercury(II)]","Acta Crystallographica Section C","1998","54","5","574","576","10.1107/S0108270197016788","","","0.71073","MoKα","","0.0778","0.0368","","","","0.0772","","","","","","1.038","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2007250","7.8069","0.0012","15.768","0.004","16.398","0.003","90","","90","","90","","2018.6","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II)","","- C8 H7 Cl2 N3 Pd -","- C8 H7 Cl2 N3 Pd -","- C64 H56 Cl16 N24 Pd8 -","8","1","MU1365","Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.","[Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine","Acta Crystallographica Section C","1998","54","5","609","612","10.1107/S0108270197016399","","","0.71073","MoKα","","0.0284","0.0236","","0.0632","0.0619","","","","1.108","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007351","8.514","0.006","19.39","0.012","21.94","0.012","90","","90","","90","","3622","4","301","2","301","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-methyl-r-2,c-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.1405","0.0458","","0.1325","0.1061","","","","1.026","1.301","1.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007368","10.098","0.002","18.902","0.004","16.71","0.003","90","","90","","90","","3189.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2,5-diméthylpyrrolidin-2-yl] phosphonate de diisopropyle","","- C12 H26 N O3 P -","- C12 H26 N O3 P -","- C96 H208 N8 O24 P8 -","8","1","PA1253","Roubaud, Valerie; Siri, Didier; Tordo, Paul; Hdii, Fathia; Reboul, Jean-Pierre","(2,5-Diméthylpyrrolidin-2-yl)phosphonate de Diisopropyle","Acta Crystallographica Section C","1998","54","6","825","827","10.1107/S0108270197008408","","","0.7107","MoKα","","0.05","0.045","","0.09","0.089","","","","1.082","1.426","1.426","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007395","16.964","0.003","18.972","0.004","21.063","0.003","90","","90","","90","","6779","2","298","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","O,O'-trifluoroacetatobis(triphenylphosphine)silver(I)","","- C38 H30 Ag F3 O2 P2 -","- C38 H30 Ag F3 O2 P2 -","- C304 H240 Ag8 F24 O16 P16 -","8","1","TA1203","Ng, Seik Weng","(Trifluoroacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1998","54","6","743","744","10.1107/S0108270198000304","","","0.71073","MoKα","","0.0796","0.066","","0.133","0.1275","","","","1.334","1.38","1.38","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007396","18.4645","0.0009","8.0647","0.0006","21.9392","0.0009","90","","90","","90","","3267","0.3","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(2-pyridyl)-4-p-bromophenyl-1,2,4-triazole","","- C18 H12 Br N5 -","- C18 H12 Br N5 -","- C144 H96 Br8 N40 -","8","1","TA1205","Chen, Wei; Wang, Z. X.; Jian, F. F.; Bai, Z. P.; You, X. Z.","4-(<i>p</i>-Bromophenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","6","851","852","10.1107/S0108270198000316","","","0.71073","MoKα","","0.127","0.059","","0.121","0.103","","","","0.925","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007404","16.065","0.003","16.534","0.002","8.632","0.002","90","","90","","90","","2292.8","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-dihydrophenanthrene-4-carboxylic acid","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","BK1359","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","7","966","969","10.1107/S0108270198000122","","","0.71073","MoKα","","","0.043","","0.104","","0.104","","","1.25","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007420","5.0283","0.0003","8.0427","0.0005","16.03","0.001","90","","90","","90","","648.27","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Lithium Ethylene Glyconate","mono lithium ethylene glyconate","","- C2 H5 Li O2 -","- C2 H5 Li O2 -","- C16 H40 Li8 O16 -","8","1","DA1011","Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley","Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH)","Acta Crystallographica Section C","1998","54","7","937","939","10.1107/S0108270198002121","","","0.71069","MoKα","","","0.036","","","0.055","","","","","1.63","1.63","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007435","17.964","0.002","8.716","0.001","8.172","0.001","90","","90","","90","","1279.5","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-3-aminoisobutyric acid monohydrate","","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C32 H88 N8 O24 -","8","1","FR1106","Dobson, Allison J.; Gerkin, Roger E.","<small>DL</small>-3-Aminoisobutyric Acid Monohydrate","Acta Crystallographica Section C","1998","54","7","972","974","10.1107/S0108270198001310","","","0.71073","MoKα","","","0.04","","","","0.056","","","","","","1.87","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007531","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H24 N2 Ni O2 -","- C184 H192 N16 Ni8 O16 -","8","1","JZ1238","Paulus, Helmut; Svoboda, Ingrid; Fuess, Hartmut","Rerefinement of {1-[(2-Hydroxybenzylidene)aminomethyl]naphthalen-2-olato(2 ‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1998","54","8","1075","1076","10.1107/S0108270198005228","","","0.71069","MoKα","","0.133","0.037","","0.113","0.084","","","","1.007","1.082","1.082","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007583","5.5431","0.0005","8.909","0.0006","45.893","0.004","90","","90","","90","","2266.4","0.3","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyacetophenone anil","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","BM1237","Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon","Methyl-and Phenyl-Substituted Salicylideneanilines","Acta Crystallographica Section C","1998","54","9","1360","1362","10.1107/S0108270198004302","","","1.5418","CuKα","","","0.0603","","","0.0735","","","","","1.0892","1.0892","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007588","16.923","0.002","14.783","0.002","17.6634","0.0013","90","","90","","90","","4418.9","0.9","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra-n-butylammonium trinitromethane","tetra-n-butylammonium trinitromethanide","","- C17 H36 N4 O6 -","- C17 H36 N4 O6 -","- C136 H288 N32 O48 -","8","1","BR1207","Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.","Tetrabutylammonium and Caesium Salts of Trinitromethane","Acta Crystallographica Section C","1998","54","9","1229","1233","10.1107/S0108270198004491","","","0.71073","MoKα","","0.043","0.043","","0.127","","0.127","","","1.03","1.13","1.13","","","","","has coordinates,has disorder","200221","2020-10-21","18:00:00",""
"2007627","8.2983","0.0001","14.6086","0.0002","29.1258","0.0004","90","","90","","90","","3530.82","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-bromo-4-methylphenyl)-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarine- 8,9-aziridine","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C168 H144 Br8 N8 O16 -","8","1","HA1215","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","An <i>N</i>-Substituted 6,7-Benzocoumarin-8,9-aziridine Derivative","Acta Crystallographica Section C","1998","54","9","1299","1301","10.1107/S0108270198003874","","","0.71073","MoKα","","0.0863","0.0479","","0.1088","0.0927","","","","1.065","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007714","11.4712","0.0008","12.3457","0.0008","20.582","0.002","90","","90","","90","","2914.8","0.4","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","CF1250","Brady, Fiona; Gallagher, John F.; Kenny, Peter T. M.","O—H···O, C—H···O and C—H···π~arene~ Intermolecular Interactions in (2<i>R</i>/2<i>S</i>)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic Acid","Acta Crystallographica Section C","1998","54","10","1523","1525","10.1107/S0108270198005678","","","0.7107","MoKα","","0.085","0.041","","","","0.098","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007727","19.862","0.001","21.301","0.001","9.758","0.001","90","","90","","90","","4128.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","2","HA1213","Chitra Samanta; Alok Kumar Mukherjee; Monika Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-ethyltriazene 1-Oxide","Acta Crystallographica Section C","1998","54","10","1544","1546","10.1107/S0108270198003862","","","1.54178","CuKα","","0.0811","0.0489","","0.1342","0.1211","","","","0.948","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007743","15.1362","0.0008","15.8851","0.0007","11.861","0.001","90","","90","","90","","2851.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.051","0.032","","","","0.084","","","","","","0.914","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007762","8.582","0.005","9.609","0.005","31.213","0.005","90","0.005","90","0.005","90","0.005","2574","2","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-phenyl-cis-4,6-dimethyl-1,3-diselenane","","- C12 H16 Se2 -","- C12 H16 Se2 -","- C96 H128 Se16 -","8","1","SK1184","Baudoux, Guy; Norberg, Bernadette; Wouters, Johan; Defrère, Laurent; Krief, Alain; Evrard, Guy","<i>cis</i>-4,6-Dimethyl-2-phenyl-1,3-diselenane","Acta Crystallographica Section C","1998","54","10","1505","1507","10.1107/S0108270198004235","","","1.54178","CuKα","","0.0415","0.0371","","","","0.1025","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007790","8.983","0.002","21.125","0.004","13.196","0.003","90","","90","","90","","2504.2","0.9","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","BS1040","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Gómez González, Ariel; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Mascarenhas, Yvonne","5-Methoxycarbonyl-6-methyl-4-phenyl-3,4-dihydro-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1998","54","11","1644","1645","10.1107/S010827019701799X","","","0.71069","MoKα","","0.168","0.0499","","0.1662","0.0996","","","","1.082","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007809","9.182","0.002","10.917","0.002","21.955","0.004","90","","90","","90","","2200.8","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(+/-)-cis-10-Carboxymethyl-2-decalone","(+/-)-cis-4a-carboxymethyloctahydro-2(1H)-napthalenone","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","FG1471","Zewge, Daniel; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>cis</i>-10-Carboxymethyl-2-decalone: Catemeric Hydrogen Bonding in an ε-Keto Acid","Acta Crystallographica Section C","1998","54","11","1651","1653","10.1107/S0108270198007495","","","0.71073","MoKα","","0.12","0.054","","0.135","0.108","","","","1.001","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007886","8.413","0.001","20.534","0.002","11.36","0.001","90","","90","","90","","1962.5","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","phenylethylthioamidinium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","BM1211","Barker, James; Powell, Harold R.","<i>S</i>-Benzylisothiouronium Chloride","Acta Crystallographica Section C","1998","54","12","2019","2021","10.1107/S0108270198008166","","","1.5418","CuKα","","","0.0419","","","0.0502","","","","","1.0859","1.0859","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007889","15.177","0.003","22.357","0.004","17.653","0.004","90","","90","","90","","5990","2","178","2","178","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","di(2,4,6-triisopropylphenyl)diselenide","","- C30 H46 Se2 -","- C30 H46 Se2 -","- C240 H368 Se16 -","8","1","BM1242","Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.","Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide","Acta Crystallographica Section C","1998","54","12","1873","1875","10.1107/S0108270198010579","","","0.71073","MoKα","","0.0844","0.0341","","0.1033","0.0817","","","","0.952","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007916","12.0267","0.0002","11.3835","0.0002","14.5357","0.0002","90","","90","","90","","1990.02","0.06","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene","","- C22 H22 O6 S2 -","- C22 H22 O6 S2 -","- C88 H88 O24 S8 -","4","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.041","0.035","","","","0.099","","","","","","1.074","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007918","9.481","0.0009","19.836","0.0019","13.178","0.0014","90","","90","","90","","2478.3","0.4","296","","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-bis(2-pyridylformimidoyl)hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C96 H96 N48 -","8","1","FG1463","Armstrong, Jennifer A.; Barnes, John C.; Weakley, Timothy J.R.","1,2-Bis(2-pyridylformimidoyl)hydrazine","Acta Crystallographica Section C","1998","54","12","1923","1925","10.1107/S0108270198008014","","","0.71073","MoKα","","0.068","0.036","","","","0.135","","","","","","0.951","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007925","13.4327","0.0002","13.1953","0.0006","16.7801","0.0006","90","","90","","90","","2974.25","0.18","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Co N4 O4 -","- C10 H19 Co N4 O4 -","- C80 H152 Co8 N32 O32 -","8","1","FG1480","Mareque Rivas, Juan C.; Brammer, Lee","N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-)","Acta Crystallographica Section C","1998","54","12","1799","1802","10.1107/S0108270198008956","","","0.71073","MoKα","","0.072","0.042","","0.055","0.05","","","","1.44","1.576","1.576","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007995","8.935","0.002","15.733","0.007","18.372","0.004","90","","90","","90","","2582.6","1.4","223","1","223","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 N2 O10 Pb -","- C6 H14 N2 O10 Pb -","- C48 H112 N16 O80 Pb8 -","8","1","OS1021","Lashgari, Koroush; Kritikos, Mikael; Lashgari, Kianosh; Westin, Gunnar","Pb(NO~3~)~2~(EO3), where EO3 is Triethylene Glycol","Acta Crystallographica Section C","1998","54","12","1794","1797","10.1107/S0108270198008312","","","0.71073","MoKα","","0.075","0.046","","0.111","0.099","","","","1.076","1.132","1.132","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008020","7.792","0.001","10.39","0.001","18.894","0.002","90","","90","","90","","1529.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Ba O4 -","- C8 H4 Ba O4 -","- C64 H32 Ba8 O32 -","8","1","SK1168","Lo, Samuel Man Fung; Chui, Stephen Sin Yin; Williams, Ian D.","Barium Terephthalate, a Three-Dimensional Coordination Polymer with 7:7 Cation‒Anion Connectivity","Acta Crystallographica Section C","1998","54","12","1846","1848","10.1107/S0108270198009512","","","0.71073","MoKα","","0.0388","0.0248","","0.0594","0.0487","","","","1.053","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008093","7.532","0.005","13.278","0.002","23.7103","0.001","90","","90","","90","","2371.3","1.6","122","0.5","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-nitrophenyl)-4-phenylbutadiyne","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C128 H72 N8 O16 -","8","1","LN1068","Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis","Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne","Acta Crystallographica Section C","1999","55","1","106","108","10.1107/S0108270198010853","","","1.5418","CuKα","","0.0385","0.0364","","0.0888","0.0885","","","","3.456","3.572","3.572","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008116","9.202","0.001","18.87","0.003","19.138","0.002","90","","90","","90","","3323.2","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C144 H152 N8 O16 S16 -","8","1","SK1227","Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇","9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one","Acta Crystallographica Section C","1999","55","1","114","116","10.1107/S0108270198011019","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008131","10.857","0.003","11.2892","0.0009","18.5162","0.0009","90","","90","","90","","2269.5","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-benzyl-2-hydroxycyclohexanone","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","BM1297","McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M.","2-Benzyl-2-hydroxycyclohexanone","Acta Crystallographica Section C","1999","55","2","268","270","10.1107/S0108270198013869","","","0.71073","MoKα","","0.0882","0.0493","","","","0.135","","","","","","1.015","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008197","15.9034","0.0008","10.5054","0.0005","16.1559","0.0008","90","","90","","90","","2699.2","0.2","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-dimethylamino)ethylaminomethyl]-6-methoxyphenol","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.048","","","0.056","","","","","","","1.569","","","","has coordinates,has Fobs","190596","2020-10-21","18:00:00",""
"2008198","14.283","0.002","17.083","0.004","7.723","0.003","90","","90","","90","","1884.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-indolyl)acrylamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","SX1071","Leopoldo Suescun; Raúl A. Mariezcurrena; Alvaro W. Mombrú; Danilo Davyt; Eduardo Manta","3-(3-Indolyl)acrylamide","Acta Crystallographica Section C","1999","55","2","211","213","10.1107/S0108270198012505","","","0.71069","MoKα","","0.159","0.041","","","","0.132","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008209","25.732","0.003","7.8359","0.0004","13.954","0.001","90","","90","","90","","2813.6","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trymethylpyridinium ortho-nitro-benzoate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.068","0.059","","0.077","0.07","","","","0.944","0.947","0.947","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008267","12.225","0.002","13.29","0.003","12.387","0.003","90","","90","","90","","2012.5","0.7","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trimethylphosphonium trichlorogermanate(II)","Trimethylphosphonium trichlorogermanate(II)","","- C3 H10 Cl3 Ge P -","- C3 H10 Cl3 Ge P -","- C24 H80 Cl24 Ge8 P8 -","8","1","JZ1290","Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou","Trimethylphosphonium trichlorogermanate(II)","Acta Crystallographica Section C","1999","55","3","351","353","10.1107/S010827019801169X","","","0.71073","MoKα","","0.0365","0.0307","","","","0.0845","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008287","7.5623","0.0002","19.8757","0.0006","21.2828","0.0006","90","","90","","90","","3198.93","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethyl-1-(2-chlorophenyl)-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione- 5-carboxylate","","- C15 H17 Cl N2 O2 S -","- C15 H17 Cl N2 O2 S -","- C120 H136 Cl8 N16 O16 S8 -","8","1","QA0090","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","1999","55","3","IUC9900017","","10.1107/S0108270199099734","","","0.71073","MoKα","","0.071","0.06","","","","0.15","","","","","","1.211","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008297","20.771","0.001","9.1734","0.0006","22.756","0.002","90","","90","","90","","4335.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)","","- C19 H34 N2 O3 S2 -","- C19 H34 N2 O3 S2 -","- C152 H272 N16 O24 S16 -","8","1","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.107","0.052","","","","0.131","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2008312","10.009","0.0013","15.472","0.002","16.216","0.002","90","","90","","90","","2511.2","0.6","160","3","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Diethylaminomethyl)phenol Nitrate","diethyl(2-hydroxybenzyl)ammonium nitrate","","- C11 H18 N2 O4 -","- C11 H18 N2 O4 -","- C88 H144 N16 O32 -","8","1","BK1426","Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L.","Nitrate salt of protonated 2-(diethylaminomethyl)phenol","Acta Crystallographica Section C","1999","55","4","681","683","10.1107/S0108270198014218","","","0.71073","MoKα","","0.06","0.039","","0.087","","0.082","","","1.042","","","1.209","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008325","18.5888","0.0012","8.1378","0.001","28.964","0.002","90","","90","","90","","4381.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 N2 O11 S2 -","- C14 H34 N2 O11 S2 -","- C112 H272 N16 O88 S16 -","8","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.058","0.033","","","","0.074","","","","","","0.883","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008333","10.48","0.002","11.949","0.002","15.005","0.003","90","","90","","90","","1879","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4‒(N‒Methylnitramino)-1‒methylpyridinium bromide","","- C7 H10 Br N3 O2 -","- C7 H10 Br N3 O2 -","- C56 H80 Br8 N24 O16 -","8","1","CF1290","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1-Methyl-4-(<i>N</i>-methylnitramino)pyridinium bromide","Acta Crystallographica Section C","1999","55","4","691","693","10.1107/S0108270198014656","","","0.71073","MoKα","","0.0664","0.0293","","","","0.0823","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008350","13.2974","0.0006","7.9474","0.0004","27.3988","0.0014","90","","90","","90","","2895.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1H-isoquinoline-2-carbamoyl-3-methylimidazolium Iodide","","- C14 H16 I N3 O -","- C14 H16 I N3 O -","- C112 H128 I8 N24 O8 -","8","1","FG1529","Batey, Robert A.; Yoshina-Ishii, Chiaki; Lough, Alan J.","3-Methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)imidazolium iodide","Acta Crystallographica Section C","1999","55","4","615","618","10.1107/S0108270198016473","","","0.71073","MoKα","","0.086","0.041","","","","0.091","","","","","","0.981","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008368","13.585","0.002","35.391","0.007","7.067","0.002","90","","90","","90","","3397.7","1.3","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-aminoethyl)-2,3-diphenylpiperazine hydrochloride","","- C18 H24 Cl N3 -","- C18 H24 Cl N3 -","- C144 H192 Cl8 N24 -","8","1","HA1247","Sarmistha Basu Majumder; Monika Mukherjee; Goutam Kumar Patra; Dipankar Datta; Madeleine Helliwell","2-(2,3-Diphenylpiperazin-1-yl)ethylammonium chloride","Acta Crystallographica Section C","1999","55","4","668","670","10.1107/S0108270198017648","","","1.5418","CuKα","","0.14","0.0561","","0.2646","0.1371","","","","1.056","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008370","31.425","0.005","14.289","0.002","12.375","0.002","90","","90","","90","","5556.8","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl N3 O8 Zn -","- C26 H36 Cl N3 O8 Zn -","- C208 H288 Cl8 N24 O64 Zn8 -","8","1","JZ1294","Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Huttner, Gottfried; Rutsch, Peter","[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II) perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~","Acta Crystallographica Section C","1999","55","4","557","558","10.1107/S0108270198016795","","","0.71073","MoKα","","0.097","0.059","","","","0.104","","","","","","1.123","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008378","14.0723","0.0009","7.462","0.002","21.489","0.001","90","","90","","90","","2256.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dibromobiphenyl","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C96 H64 Br16 -","8","1","LN1062","MacNeil, Dean D.; Decken, Andreas","2,2'-Dibromobiphenyl","Acta Crystallographica Section C","1999","55","4","628","630","10.1107/S0108270198015339","","","1.54178","CuKα","","","0.0326","","","","0.113","","","","","","1.032","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008430","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C","1999","55","","574","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008444","7.669","0.005","12.402","0.008","27.204","0.007","90","","90","","90","","2587","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","BM1292","K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi","7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin","Acta Crystallographica Section C","1999","55","5","813","815","10.1107/S0108270198016072","","","1.5418","CuKα","","0.0749","0.0699","","0.2033","0.1918","","","","1.077","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008461","12.148","0.002","24.682","0.002","8.021","0.002","90","","90","","90","","2405","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylbenzoic acid","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","FR1181","Gerkin, Roger E.","3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid","Acta Crystallographica Section C","1999","55","5","798","801","10.1107/S0108270199000128","","","0.71073","MoKα","","","0.065","","","0.077","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008478","13.4442","0.0007","18.7746","0.001","24.5809","0.0012","90","","90","","90","","6204.5","0.6","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-dihydridotetrakis(trimethylphosphine)rhodium(III) bis(catecholato)borate","","- C24 H46 B O4 P4 Rh -","- C24 H46 B O4 P4 Rh -","- C192 H368 B8 O32 P32 Rh8 -","8","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.1043","0.0878","","","","0.1903","","","","","","1.448","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008493","14.06","0.0009","26.4879","0.0016","32.732","0.002","90","","90","","90","","12190","1.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","","- C9 H30 Cl2 N6 Ni O8 -","- C9 H30 Cl2 N6 Ni O8 -","- C216 H720 Cl48 N144 Ni24 O192 -","24","3","QA0097","Olof Kristiansson","Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","IUC9900038","","10.1107/S0108270199099539","","","0.71073","MoKα","","0.104","0.06","","","","0.195","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008525","10.594","0.002","7.461","0.004","22.92","0.005","90","","90","","90","","1811.6","1.1","153.2","","153.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H10 N4 O6 S -","- C2 H10 N4 O6 S -","- C16 H80 N32 O48 S8 -","8","1","BK1397","Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.","Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)","Acta Crystallographica Section C","1999","55","6","994","996","10.1107/S0108270198014619","","","0.7107","MoKα","","0.0411","0.023","","0.066","","0.034","","","2.217","","","2.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008542","24.309","0.005","13.543","0.003","41.392","0.008","90","","90","","90","","13627","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H37.5 Cu F12 N6.5 P2 -","- C28 H27.988 Cu F12 N6.5 P2 -","- C448 H447.808 Cu16 F192 N104 P32 -","16","2","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.124","0.066","","","","0.179","","","","","","0.842","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008550","16.8684","0.0001","15.3955","0.0001","17.52","0.0002","90","","90","","90","","4549.9","0.07","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8b,8c-dibenzoyl-4b-nitro-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C30 H19 N O4 -","- C30 H19 N O4 -","- C240 H152 N8 O32 -","8","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.061","0.045","","","","0.11","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008569","7.937","0.003","37.789","0.004","9.696","0.003","90","","90","","90","","2908.1","1.5","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dipotassium naphthalene-1,8-dicarboxylate.potassium bicarbonate","","","- C13 H7 K3 O7 -","- C13 H7 K3 O7 -","- C104 H56 K24 O56 -","8","1","FR1190","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate","Acta Crystallographica Section C","1999","55","6","918","921","10.1107/S0108270199002966","","","0.71073","MoKα","","","0.044","","","","0.074","","","","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008610","6.573","0.005","10.687","0.005","30.531","0.005","90","","90","","90","","2144.7","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-dicholoro-5-nitrobenzoic sodium dihydrate","","- C7 H6 Cl2 N Na O6 -","- C7 H6 Cl2 N Na O6 -","- C56 H48 Cl16 N8 Na8 O48 -","8","1","QA0071","Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago","Sodium 2,4-dichloro-5-nitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","6","IUC9900056","","10.1107/S0108270199099382","","","0.71069","MoKα","","0.122","0.057","","0.197","0.138","","","","1.204","1.266","1.266","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008695","11.7954","0.0005","7.6537","0.0003","46.732","0.002","90","","90","","90","","4218.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2RS,5RS)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","","- C25 H28 O3 -","- C25 H28 O3 -","- C200 H224 O24 -","8","1","LN1083","H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun","(2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","Acta Crystallographica Section C","1999","55","7","1130","1132","10.1107/S0108270199004151","","","0.71073","MoKα","","0.107","0.068","","","","0.148","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008756","9.165","0.003","36.319","0.003","8.353","0.004","90","","90","","90","","2780.4","1.6","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4,5,6,7-hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C104 H136 N8 O40 S8 -","8","1","BM1336","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","2,3,4,5,6,7-Hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1375","1377","10.1107/S0108270199007489","","","0.71069","MoKα","","0.071","0.042","","","","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008767","14.623","0.007","9.729","0.005","19.228","0.01","90","","90","","90","","2736","2","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Sodium nitrilotriacetatomagnesium pentahydrate","Sodium nitriloacetatomagnesate(1-) pentahydrate","","- C6 H16 Mg N Na O11 -","- C6 H16 Mg N Na O11 -","- C48 H128 Mg8 N8 Na8 O88 -","8","1","CF1309","Kaneyoshi, Masami; Bond, Andrew; Jones, William","Sodium (nitrilotriacetato)magnesate pentahydrate","Acta Crystallographica Section C","1999","55","8","1260","1262","10.1107/S0108270199004886","","","1.54178","CuKα","","0.039","0.03","","","","0.077","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008787","12.758","0.003","6.964","0.001","16.053","0.003","90","","90","","90","","1426.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1236","0.0585","","","","0.1804","","","","","","1.092","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008788","12.756","0.003","6.87","0.001","15.74","0.003","90","","90","","90","","1379.4","0.5","90","0.1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(N-Methylnitramino)-pyridine 1-oxide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1045","0.0575","","","","0.1462","","","","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008847","15.6977","0.0001","8.7328","0.0001","21.2064","0.0005","90","","90","","90","","2907.08","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C136 H120 N24 O16 -","8","1","QB0104","Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You","5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol","Acta Crystallographica Section C","1999","55","8","IUC9900095","","10.1107/S0108270199098947","","","0.71073","MoKα","","0.092","0.068","","","","0.136","","","","","","1.225","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008963","9.8615","0.0001","10.6446","0.0002","13.6513","0.0001","90","","90","","90","","1433","0.03","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tert-Butylhydrazine hydrochloride","t-Butylhydrazine hydrochloride","","- C4 H13 Cl N2 -","- C4 H13 Cl N2 -","- C32 H104 Cl8 N16 -","8","1","QA0162","Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian","Redetermination of <i>tert</i>-butylhydrazinium chloride","Acta Crystallographica Section C","1999","55","9","IUC9900109","","10.1107/S0108270199098819","","","0.71073","MoKα","","0.035","0.029","","","","0.081","","","","","","1.074","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009059","11.5244","0.0002","19.1647","0.0003","24.8355","0.0001","90","","90","","90","","5485.21","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro Pyrazolidine [5.3] 4'-Flavanone.","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","QA0170","Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.","2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]","Acta Crystallographica Section C","1999","55","10","IUC9900120","","10.1107/S0108270199098662","","","0.71073","MoKα","","0.085","0.055","","","","0.128","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009078","9.0605","0.0002","17.8725","0.0001","31.4066","0.0006","90","","90","","90","","5085.79","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C272 H200 N8 O24 -","8","1","SK1309","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu","1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one","Acta Crystallographica Section C","1999","55","10","1674","1675","10.1107/S0108270199008744","","","0.71073","MoKα","","0.1306","0.067","","","","0.1581","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009097","9.1378","0.001","10.9924","0.0014","30.58","0.003","90","","90","","90","","3071.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C104 H224 N16 O24 -","8","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.088","0.038","","","","0.078","","","","","","0.797","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009098","16.3206","0.0007","15.6683","0.0007","19.3267","0.0009","90","","90","","90","","4942.1","0.4","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B N O2 -","- C13 H14 B N O2 -","- C208 H224 B16 N16 O32 -","16","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.0618","0.0474","","","","0.118","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009126","17.4","0.003","27.085","0.002","6.119","0.002","90","","90","","90","","2883.8","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","FR1226","Aumiller, Wade D.; Gerkin, Roger E.","Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section C","1999","55","11","1855","1857","10.1107/S010827019900983X","","","0.71073","MoKα","","","0.063","","","","0.076","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009139","8.906","0.001","18.295","0.002","21.855","0.003","90","","90","","90","","3561","0.7","291","2","18","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","phenanthroline‒tetraaqua‒zinc(II) sulfate dihydrate","","- C12 H20 N2 O10 S Zn -","- C12 H20 N2 O10 S Zn -","- C96 H160 N16 O80 S8 Zn8 -","8","1","JA1003","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate","Acta Crystallographica Section C","1999","55","11","1815","1817","10.1107/S0108270199009294","","","0.71073","MoKα","","0.073","0.035","","0.077","","0.07","","","0.841","","","1.008","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2009158","13.356","0.005","23.06","0.005","14.719","0.005","90","0.005","90","0.005","90","0.005","4533","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H25 Ca N3 O5 S2 -","- C19 H25 Ca N3 O5 S2 -","- C152 H200 Ca8 N24 O40 S16 -","8","1","OB1014","Kubo, Kanji; Yamamoto, Emi; Kato, Nobuo; Mori, Akira","<i>N</i>-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate","Acta Crystallographica Section C","1999","55","11","1819","1821","10.1107/S0108270199009300","","","1.54184","CuKα","","0.061","0.04","","","","0.117","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009181","10.72","0.002","10.7","0.002","15.35","0.002","90","","90","","90","","1760.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 N2 O4 -","- C9 H6 N2 O4 -","- C72 H48 N16 O32 -","8","1","QB0119","Kovalevsky, A. Yu.; Ponomarev, I. I.","2-Methyl-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","Acta Crystallographica Section C","1999","55","11","IUC9900136","","10.1107/S0108270199098431","","","0.71073","MoKα","","0.072","0.041","","0.149","","0.119","","","1","","","1.195","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009218","12.412","0.002","9.68","0.002","11.191","0.002","90","","90","","90","","1344.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,4-Di(tert-butyl)-3-hexene-2,5-dione","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","0.5","BM1331","Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.","(<i>E</i>)-3,4-Di-<i>tert</i>-butylhex-3-ene-2,5-dione","Acta Crystallographica Section C","1999","55","12","2078","2080","10.1107/S0108270199012731","","","0.71073","MoKα","","0.063","0.048","","","","0.134","","","","","","1.058","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009222","13.08","0.003","11.978","0.003","27.915","0.004","90","","90","","90","","4373.5","1.6","178","2","178","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-bis(p-toluenesulfonyl)-1-adamantylamine","","- C24 H29 N O4 S2 -","- C24 H29 N O4 S2 -","- C192 H232 N8 O32 S16 -","8","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0963","0.044","","","","0.1289","","","","","","0.944","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009225","13.534","0.003","7.0535","0.0014","29.526","0.008","90","","90","","90","","2818.6","1.1","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 F N2 O3 -","- C16 H15 F N2 O3 -","- C128 H120 F8 N16 O24 -","8","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.098","0.057","","","","0.211","","","","","","1.115","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009283","9.714","0.002","16.742","0.002","16.54","0.002","90","","90","","90","","2689.9","0.7","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyltelluro-N-phenylbenzamide","","- C14 H13 N O Te -","- C14 H13 N O Te -","- C112 H104 N8 O8 Te8 -","8","1","JA1000","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","2-Methyltelluro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1999","55","12","2100","2102","10.1107/S010827019901118X","","","0.71073","MoKα","","0.036","0.027","","","","0.074","","","","","","1.031","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009320","10.0695","0.0008","8.2112","0.0006","29.701","0.003","90","","90","","90","","2455.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Phenylferrocene","Phenylferrocene","","- C16 H14 Fe -","- C16 H14 Fe -","- C128 H112 Fe8 -","8","1","QB0130","Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L.","Phenylferrocene","Acta Crystallographica Section C","1999","55","12","IUC9900154","","10.1107/S0108270199098406","","","0.71073","MoKα","","0.104","0.04","","","","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009334","15.758","0.003","15.306","0.002","14.496","0.002","90","","90","","90","","3496.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Perchlorato[(5RS,9SR)-1,5,9,13-tetraazatridecane]copper(II) perchlorate","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C72 H192 Cl16 Cu8 N32 O64 -","8","1","QB0141","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","[(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate","Acta Crystallographica Section C","1999","55","12","IUC9900172","","10.1107/S0108270199098339","","","0.71073","MoKα","","0.165","0.058","","","","0.164","","","","","","0.955","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009336","8.856","0.001","9.349","0.001","19.778","0.001","90","","90","","90","","1637.5","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-but-3-en-2-one","","- C10 H10 O -","- C10 H10 O -","- C80 H80 O8 -","8","1","QB0145","Degen, Alexander; Bolte, Michael","4-Phenylbut-3-en-2-one (benzalacetone)","Acta Crystallographica Section C","1999","55","12","IUC9900170","","10.1107/S0108270199098236","","","0.71073","MoKα","","0.0496","0.0411","","","","0.1218","","","","","","1.108","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009358","7.1468","0.0006","11.994","0.007","29.493","0.005","90","","90","","90","","2528.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-pyridinecarboxaldehyde benzoyl hydrazone hydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.058","0.034","","","","0.127","","","","","","1.059","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009371","11.552","0.002","22.165","0.001","20.89","0.002","90","","90","","90","","5348.9","1.1","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C22 H39 N O8 -","- C22 H39 N O8 -","- C176 H312 N8 O64 -","8","1","CR1056","Newkome, G.R.; Behera, R.K.; Baker, G.R.; Fronczek, F.R.","Di-<i>tert</i>-butyl 4-[2-(<i>tert</i>-butoxycarbonyl)ethyl]-4-nitroheptanedioate, C~22~H~39~NO~8~","Acta Crystallographica Section C","1994","50","1","120","122","10.1107/S0108270193006006","","","1.54184","CuKα","","","0.069","","","0.09","","","","","4.092","4.092","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009387","8.107","0.002","9.757","0.002","26.891","0.006","90","0.01","90","0.01","90","0.01","2127.1","0.8","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-methylnitrilotriacetamide","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C56 H112 N32 O24 -","8","1","HH1070","Skrzypczak-Jankun, Ewa; Smith, Douglas A.","<i>N</i>-Methylnitrilotriacetamide, C~7~H~14~N~4~O~3~","Acta Crystallographica Section C","1994","50","1","91","93","10.1107/S0108270193010844","","","0.71073","MoKα","","","0.055","","","0.073","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009391","9.063","0.002","18.205","0.002","18.681","0.001","90","","90","","90","","3082.2","0.8","293","","293","","","","","","","","","3","P b c a","","","","1-chloro-1,2,2-triphenylethene","","- C20 H15 Cl -","- C20 H15 Cl -","- C160 H120 Cl8 -","8","1","KA1043","Herdtweck, Eberhardt; Ziche, Wolfgang; Auner, Norbert","1-Chloro-1,2,2-triphenylethene, C~20~H~15~Cl","Acta Crystallographica Section C","1994","50","1","81","83","10.1107/S0108270193007115","","","0.71073","MoKα","","0.055","0.055","","0.035","0.035","","","","3.154","3.154","3.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009410","20.838","0.004","19.88","0.004","10.861","0.003","90","","90","","90","","4499.3","1.8","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C192 H160 N32 O48 -","8","1","NA1037","Donati, D.; Fiorenza, M.; Sarti-Fantoni, P.","Structure of [1α(<i>E</i>),5α,6β,7α]-4-methyl-7-(3-methyl-4-nitro-5-isoxazolyl)-5-nitro-6-phenyl-1-styryl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene","Acta Crystallographica Section C","1994","50","1","141","144","10.1107/S010827019300633X","","","1.5418","CuKα","","","0.043","","","0.049","","","","","0.088","0.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009456","16.748","0.001","27.619","0.003","7.962","0.001","90","","90","","90","","3682.9","0.6","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H17 Cl O8 P2 -","- C14 H17 Cl O8 P2 -","- C112 H136 Cl8 O64 P16 -","8","1","HU1041","Olszak, T.A.; Stepien, A.J.; Renz, M.; Grabowski, M.J.","2<i>H</i>-1-Benzopyrans. I. (<i>E</i>)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1994","50","2","284","286","10.1107/S0108270193010145","","","1.54178","Cu","","","0.049","","","0.0451","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009481","7.404","0.001","5.591","0.001","87.662","0.009","90","","90","","90","","3628.8","0.9","296","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H36 O2 -","- C18 H36 O2 -","- C144 H288 O16 -","8","1","OH1030","Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.","Double-layered polytypic structure of the B form of octadecanoic acid, C~18~H~36~O~2~","Acta Crystallographica Section C","1994","50","2","245","247","10.1107/S010827019300736X","","","1.5418","CuKα","","","0.062","","","0.086","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009487","7.359","0.001","5.609","0.001","88.41","0.01","90","","90","","90","","3649.3","0.9","286","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H36 O2 -","- C18 H36 O2 -","- C144 H288 O16 -","8","1","OH1038","Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.","Double-layered polytypic structure of the E form of octadecanoic acid, C~18~H~36~O~2~","Acta Crystallographica Section C","1994","50","2","247","250","10.1107/S0108270193007243","","","1.5418","CuKα","","","0.064","","","0.095","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009527","20.935","0.003","22.391","0.003","9.756","0.003","90","","90","","90","","4573.2","1.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C23 H20 Br3 N3 O2 -","- C23 H20 Br3 N3 O2 -","- C184 H160 Br24 N24 O16 -","8","1","CR1063","Jircitano, A.J.; Sommerer, S.O.; Shelley, J.J.; Westcott, B.L.; Suh, Il-Hwan","The self-condensation of a derivative of <i>o</i>-aminobenzaldehyde. Structure of the polycyclic bisanhydro trimer of 2-amino-5-bromobenzaldehyde","Acta Crystallographica Section C","1994","50","3","445","447","10.1107/S0108270193006894","","","0.71069","MoKα","","","0.083","","","0.0895","","","","","0.9352","0.9352","","","","","has coordinates","191096","2020-10-21","18:00:00",""
"2009575","10.521","0.001","18.425","0.003","18.449","0.002","90","","90","","90","","3576.3","0.8","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H16 Cl2 N8 Zn -","- C14 H16 Cl2 N8 Zn -","- C112 H128 Cl16 N64 Zn8 -","8","1","AB1080","Salas, J.M.; Romero, M.A.; Rahmani, A.; Faure, R.","Dichlorobis(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","1994","50","4","510","512","10.1107/S0108270193009448","","","0.7107","MoKα","","","0.026","","","0.027","","","","","1.5","1.5","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009599","33.023","0.002","11.21","0.001","8.637","0.002","90","","90","","90","","3197.3","0.8","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Methyl 6c-benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd] pentalene-6b-carboxylate OR Methyl 1-benzoylbenzo[f]tricyclo[3.3.0.0^2,8^]octa-3,6-dien- 5-carboxylate OR Methyl 3-benzoyltetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca- 1(8),5,9,11-tetraen-7-carboxylate","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","CD1059","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin","An ethenonaphthalene and one of its photolysis products","Acta Crystallographica Section C","1994","50","4","578","581","10.1107/S0108270193010819","","","1.5418","CuKα","","0.054","0.042","","0.064","0.063","","","","","2","2","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2009632","6.98","0.02","29.76","0.02","12.491","0.007","90","","90","","90","","2595","8","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C17 H9 N S -","- C17 H8 N S -","- C136 H64 N8 S8 -","8","1","LI1064","Barrow, M. J.; Milburn, G. H. W.; Zeng, Z.; Sarkar, A.; Talwar, S. S.","1-(3-Quinolyl)-4-(2-thienyl)-1,3-butadiyne, C~17~H~9~NS","Acta Crystallographica Section C","1994","50","4","650","652","10.1107/S0108270193009497","","","0.7107","MoKα","","","0.064","","","0.065","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009637","18.145","0.001","10.364","0.004","21.596","0.004","90","","90","","90","","4061.2","1.8","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C21 H24 I N O3 -","- C21 H24 I N O3 -","- C168 H192 I8 N8 O24 -","8","1","NA1044","Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.","Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds","Acta Crystallographica Section C","1994","50","4","640","645","10.1107/S0108270193010017","","","0.71069","MoKα","","","0.039","","","0.042","","","","","1.04","1.04","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009644","18.331","0.003","15.887","0.005","7.643","0.002","90","","90","","90","","2225.8","1","292","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","1","OH1032","Kubo, K.; Mori, A.; Takeshita, H.; Tsuzuki, H.","5- and 7-dicyanomethylene-1,2-ethylenedithiocycloheptatrienes","Acta Crystallographica Section C","1994","50","4","603","606","10.1107/S0108270193009643","","","1.54184","CuKα","","","0.04948","","","0.063","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009718","11.151","0.002","29.244","0.004","6.666","0.002","90","","90","","90","","2173.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ORG9768","2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C88 H128 Cl8 N8 -","8","1","LI1078","Barnes, John C.; Paton, John D.; Rae, Duncan; Cairns, James; Redpath, James","2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride","Acta Crystallographica Section C","1994","50","5","728","729","10.1107/S0108270193011254","","","0.71069","MoKα","","0.0654","0.0612","","0.1768","0.1734","","","","1.379","1.393","1.393","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009757","11.14","0.01","27.092","0.003","7.179","0.004","90","","90","","90","","2167","2","293","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Hg O2 S -","- C9 H10 Hg O S2 -","- C72 H80 Hg8 O8 S16 -","8","1","AS1099","Tiekink, Edward R.T.","(<i>O</i>-Ethyl dithiocarbonato-κ<i>S</i>)phenylmercury, [Hg(C~3~H~5~OS~2~)(C~6~H~5~)]","Acta Crystallographica Section C","1994","50","6","861","862","10.1107/S0108270194000259","","","0.71073","MoKα","","0.215","0.043","","0.178","0.047","","","","4.81","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009758","16.786","0.001","15.099","0.001","13.291","0.002","90","","90","","90","","3368.6","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Propyl 12-carboxy-9,10-dihydro-9,10- ethenoanthracene-11-carboxylate","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","BK1006","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","Isopropyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","6","922","924","10.1107/S0108270193014003","","","1.5418","CopperKα","","0.122","0.055","","0.081","0.077","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009787","10.257","0.003","16.941","0.007","14.13","0.007","90","","90","","90","","2455.3","1.7","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H7 Ga3 N O13 P3 -","- C H6 Ga3 N O13 P3 -","- C8 H48 Ga24 N8 O104 P24 -","8","1","LI1069","Glasser, F.P.; Howie, R.A.; Kan, Q.","Methylammonium tris(galliophosphate)hydroxide","Acta Crystallographica Section C","1994","50","6","848","850","10.1107/S0108270193011163","","","0.71005","MoKα","","","0.031","","","0.057","","","","","1.0561","1.0561","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2009812","8.942","0.002","20.445","0.002","28.448","0.004","90","","90","","90","","5200.8","1.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H23 Mo O3 P -","- C32 H23 Mo O3 P -","- C256 H184 Mo8 O24 P8 -","8","1","ST1064","Jaques, D.; Clark, J.R.; Chebi, D.E.; Fanwick, P.E.; Rothwell, I.P.","[Mo{P(Ph)~2~OC~6~H~3~(Ph)(η^6^-Ph)}(CO)~2~]","Acta Crystallographica Section C","1994","50","6","898","899","10.1107/S0108270193011746","","","0.71073","MoKα","","","0.028","","","0.036","","","","","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009825","11.487","0.002","12.067","0.001","18.967","0.003","90","","90","","90","","2629.1","0.7","295","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Cl2 O4 Pt2 S2 -","- C4 H14 Cl2 O4 Pt2 S2 -","- C32 H112 Cl16 O32 Pt16 S16 -","8","1","AB1105","Burgarcic, Z.; Lövqvist, K.; Oskarsson, A.","[{PtCl(dmso)}~2~(μ-OH)~2~]","Acta Crystallographica Section C","1994","50","7","1028","1031","10.1107/S0108270193011989","","","0.71069","MoKα","","","0.038","","","0.048","","","","","1.09","1.09","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009841","18.316","0.002","19.075","0.002","15.607","0.002","90","","90","","90","","5452.7","1.1","294","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H80 N10 O32 Y2 -","- C32 H70 N10 O32 Y2 -","- C128 H280 N40 O128 Y8 -","4","0.5","BR1049","Inoue, M.B.; Inoue, M.; Fernando, Q.","Yttrium(III) and lanthanum(III) complexes of a 15-membered macrocycle with three pendant carboxymethyl groups","Acta Crystallographica Section C","1994","50","7","1037","1040","10.1107/S0108270193011151","","","0.71073","MoKα","","","0.047","","","0.065","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009842","18.259","0.001","19.181","0.001","15.738","0.001","90","","90","","90","","5511.9","0.5","292","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H80 La2 N10 O32 -","- C32 H76 La2 N10 O32 -","- C128 H304 La8 N40 O128 -","4","0.5","BR1049","Inoue, M.B.; Inoue, M.; Fernando, Q.","Yttrium(III) and lanthanum(III) complexes of a 15-membered macrocycle with three pendant carboxymethyl groups","Acta Crystallographica Section C","1994","50","7","1037","1040","10.1107/S0108270193011151","","","0.71073","MoKα","","","0.022","","","0.034","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009858","9.487","0.004","9.179","0.004","10.666","0.007","90","","90","","90","","928.8","0.8","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- Ca2 H2 O5 Si -","- Ca2 H2 O5 Si -","- Ca16 H16 O40 Si8 -","8","1","","Marsh, R.E.","A Revised Structure for α-Dicalcium Silicate Hydrate","Acta Crystallographica Section C","1994","50","","996","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009876","11.227","0.002","14.155","0.005","15.476","0.003","90","","90","","90","","2459.4","1.1","293","3","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C10 H8 N2 O3 S2 V -","- C10 H8 N2 O3 S2 V -","- C80 H64 N16 O24 S16 V8 -","8","1","KA1029","Higes-Rolando, F.J.; Perez-Florindo, A.; Valenzuela-Calahorro, C.; Martin-Ramos, J.D.; Romero-Garzon, J.","Oxobis(<i>N</i>-oxopyridine-2-thiolato-<i>N</i>,<i>O</i>)vanadium(IV)","Acta Crystallographica Section C","1994","50","7","1049","1052","10.1107/S0108270194000089","","","0.71069","MoKα","","","0.054","","","0.03","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009930","26.191","0.002","15.218","0.002","6.95","0.002","90","","90","","90","","2770.1","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Ge -","- C17 H16 Ge -","- C136 H128 Ge8 -","8","1","AS1113","Ogawa, Keiichiro; Takeuchi, Yoshito; Manuel, Georges; Boukherroub, Rabah","Spiro[3-germabicyclo[3.1.0]hexane-3,9'-[9]germafluorene]","Acta Crystallographica Section C","1994","50","8","1337","1339","10.1107/S010827019400291X","","","1.5418","CuKα","","","0.025","","","0.026","","","","","2.29","2.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009980","6.603","0.001","11.933","0.002","16.743","0.003","90","","90","","90","","1319.2","0.4","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 Ag N2 O3 -","- C4 H7 Ag N2 O3 -","- C32 H56 Ag8 N16 O24 -","8","1","NA1029","Quirós, M.","Silver 2-pyrimidinolate dihydrate, [Ag(C~4~H~3~N~2~O)].2H~2~O: a case of pseudosymmetry","Acta Crystallographica Section C","1994","50","8","1236","1239","10.1107/S0108270193012995","","","0.71069","MoKα","","","0.034","","","0.064","","","","","0.87","0.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009988","17.765","0.003","17.94","0.002","15.39","0.002","90","","90","","90","","4904.9","1.2","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C24 H29 O7 P S -","- C24 H29 O7 P S -","- C192 H232 O56 P8 S8 -","8","1","OH1054","Hayase, S.; Erabi, T.; Wada, M.","Tris(2,6-dimethoxyphenyl)phosphine sulfide monohydrate","Acta Crystallographica Section C","1994","50","8","1276","1279","10.1107/S0108270193012491","","","1.54178","CuKα","","","0.054","","","0.083","","","","","5.48","5.48","","","","","has coordinates","189763","2020-10-21","18:00:00",""
"2009999","12.072","0.003","8.349","0.002","18.819","0.007","90","","90","","90","","1896.8","1","294","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 F N2 O3 -","- C10 H7 F N2 O3 -","- C80 H56 F8 N16 O24 -","8","1","ST1077","DesMarteau, D. D.; Pennington, W. T.; Resnati, G.","Fluorinated barbituric acid derivatives","Acta Crystallographica Section C","1994","50","8","1305","1308","10.1107/S0108270193012582","","","0.71073","MoKα","","","0.0523","","","0.0646","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010000","14.737","0.002","15.2","0.001","20.762","0.003","90","","90","","90","","4650.7","1","293","","","","","","","","","","","7","P b c a","","","","","","- C25 H16 Cl Cu N5 O4 S -","- C25 H16 Cl Cu N5 O4 S -","- C200 H128 Cl8 Cu8 N40 O32 S8 -","8","1","ST1086","Parker, O. Jerry; Manson, Jamie L.; Breneman, Gary L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) perchlorate, [Cu(NCS)(phen)~2~]ClO~4~","Acta Crystallographica Section C","1994","50","8","1201","1203","10.1107/S0108270194003057","","","0.71073","MoKα","","","0.038","","","0.047","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010010","19.4943","0.0015","12.2427","0.0007","8.5428","0.0005","90","","90","","90","","2038.8","0.2","122","2","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethyl adenin-9-ylacetate","Ethyl 9-(6-amino-(imidazo[5,4-d]pyrimidine))-acetate","","- C9 H11 N5 O2 -","- C9 H11 N5 O2 -","- C72 H88 N40 O16 -","8","1","AB1182","Flensburg, Claus; Egholm, Michael","Ethyl 9-adeninylacetate at 122 K","Acta Crystallographica Section C","1994","50","9","1480","1482","10.1107/S010827019400541X","","","1.5418","CuKα","","0.0336","0.0318","","","","","","","1.087","1.114","1.114","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010074","24.07","0.02","12.216","0.007","7.406","0.006","90","","90","","90","","2178","3","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","AB1116","Wenjie, L.; Genbo, S.; Yougping, H.","4-Amino-3-chlorobenzophenone","Acta Crystallographica Section C","1994","50","10","1638","1640","10.1107/S0108270194000843","","","0.71069","MoKα","","","0.062","","","0.072","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010134","12.226","0.003","16.873","0.003","18.401","0.004","90","","90","","90","","3795.9","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","eq-tert-butylnitrile-1κN-nonacarbonyl-1κ^4^C,2κ^5^C-manganeserhenium(Mn-Re)","","- C14 H9 Mn N O9 Re -","- C14 Mn N O9 Re -","- C112 Mn8 N8 O72 Re8 -","8","1","AB1171","Beckers, Hans-Günther; Flörke, Ulrich; Haupt, Hans-Jürgen","Nonacarbonyl-1κ^4^<i>C</i>,2κ^5^<i>C</i>-pivalonitrile-1κ<i>N</i>-manganeserhenium(<i>Mn</i>‒<i>Re</i>): unsymmetrical distortions of equatorial carbonyl ligands","Acta Crystallographica Section C","1994","50","11","1671","1673","10.1107/S0108270194003318","","","0.71073","MoKα","","0.0883","0.0505","","0.1492","0.1223","","","","1.037","1.071","1.071","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010144","44.04","0.01","14.27","0.005","5.891","0.004","90","","90","","90","","3702","3","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C22 H15 Br2 N O -","- C22 H15 Br2 N O -","- C176 H120 Br16 N8 O8 -","8","1","AS1086","Li, Z.; Su, G.; Huang, X.","1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one","Acta Crystallographica Section C","1994","50","11","1788","1790","10.1107/S0108270194001186","","","0.71069","MoKα","","","0.064","","","0.072","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010210","10.003","0.002","14.636","0.003","28.724","0.007","90","","90","","90","","4205.3","1.6","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C216 H176 N16 O16 -","8","1","LI1081","He, Y.; Su, G.; Shi, J.","4,4'-Methylenediiminobis(benzophenone)","Acta Crystallographica Section C","1994","50","11","1786","1788","10.1107/S0108270194002246","","","0.71069","MoKα","","","0.071","","","0.082","","","","","1.63","1.63","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010212","13.627","0.003","16.619","0.006","23.942","0.004","90","","90","","90","","5422","2","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N5 O3.5 -","- C29 H31 Co N5 O3.5 -","- C232 H248 Co8 N40 O28 -","8","1","MU1118","Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus","{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate","Acta Crystallographica Section C","1994","50","11","1694","1696","10.1107/S0108270194005871","","","0.71069","MoKα","","0.0952","0.051","","0.1603","0.1316","","","","1.115","1.181","1.181","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2010286","7.49","0.002","21.689","0.003","11.17","0.006","90","","90","","90","","1814.6","1.1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C72 H48 O8 S16 -","8","1","HA1104","Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R.","2,2'-Bithiophene-5-carbaldehyde","Acta Crystallographica Section C","1994","50","12","1945","1947","10.1107/S0108270194004798","","","0.71069","MoKα","","","0.065","","","0.066","","","","","1.6","1.6","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010301","14.3","0.001","18.202","0.001","23.347","0.001","90","","90","","90","","6077","0.6","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl N Pd -","- C37 H32 Cl N Pd -","- C296 H256 Cl8 N8 Pd8 -","8","1","HU1095","Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E.","Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)]","Acta Crystallographica Section C","1994","50","12","1872","1873","10.1107/S0108270194006475","","","0.71069","MoKα","","","0.052","","","0.041","","","","","3.62","3.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010309","8.151","0.001","10.648","0.001","18.33","0.002","90","","90","","90","","1590.9","0.3","83","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","LI1083","Zukerman-Schpector, J.","6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~","Acta Crystallographica Section C","1994","50","12","2076","2077","10.1107/S0108270194000697","","","0.71073","MoKα","","","0.038","","","0.039","","","","","1.42","1.42","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010336","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, Nicolas; Leblanc, Marc","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","12","1864","1865","10.1107/s010827019400733x","","","","","","","0.0177","","","0.0451","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010389","11.979","0.002","12.773","0.002","37.264","0.006","90","","90","","90","","5701.7","1.6","173","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Cl Si3 Zr -","- C24 H39 Cl Si3 Zr -","- C192 H312 Cl8 Si24 Zr8 -","8","1","MU1105","Lukens, Wayne","Chlorotris(trimethylsilylcyclopentadienyl)zirconium","Acta Crystallographica Section C","1995","51","1","10","12","10.1107/S0108270194007547","","","0.71073","MoKα","","","0.0467","","","0.0585","","","","","1.999","1.999","","","","","has coordinates,has disorder","200180","2020-10-21","18:00:00",""
"2010392","19.142","0.008","20.759","0.004","23.645","0.01","90","","90","","90","","9396","6","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C104 H88 Au2 Cl6 Fe3 P6 -","- C104 H88 Au2 Cl6 Fe3 P6 -","- C416 H352 Au8 Cl24 Fe12 P24 -","4","0.5","MU1114","Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J.","[Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers","Acta Crystallographica Section C","1995","51","1","30","32","10.1107/S0108270194005962","","","0.71073","MoKα","","","0.0496","","","0.0438","","","","","1.16","1.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010410","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0432","","","0.0852","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010465","12.176","0.004","20.336","0.003","27.728","0.007","90","","90","","90","","6866","3","298","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H34 O3 P2 S W -","- C38 H34 O3 P2 S W -","- C304 H272 O24 P16 S8 W8 -","8","1","HR1013","Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T.","{2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0)","Acta Crystallographica Section C","1995","51","2","198","200","10.1107/S0108270194007882","","","0.7107","MoKα","","","0.024","","","0.017","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010466","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica Section C","1995","51","","234","235","","","","","","","","0.0207","","","0.0531","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010500","18.688","0.009","11.428","0.006","15.797","0.008","90","","90","","90","","3374","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","TA1011","Campi, Eva M.; Fallon, Gary D.; Holmes, Andrea; Perlmutter, Patrick; Teo, Chin C.","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","279","280","10.1107/S0108270194008838","","","1.5418","CuKα","","0.068","0.048","","0.106","0.058","","","","","0.772","0.772","","","","","has coordinates","190653","2020-10-21","18:00:00",""
"2010516","13.864","0.001","13.339","0.001","16.464","0.001","90","","90","","90","","3044.7","0.4","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo N2 O4 -","- C15 H12 Mo N2 O4 -","- C120 H96 Mo8 N16 O32 -","8","1","DA1090","Nanty, Dominique; Laurent, Marc; Khan, Masood A.; Ashby, Michael T.","<i>fac</i>-Tricarbonyl[bis(2-pyridylmethyl) ether-<i>N</i>,<i>O</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","2000","56","1","35","36","10.1107/S0108270199012123","","","0.71073","MoKα","","0.0342","0.0243","","0.0681","","0.0606","","","1.067","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010525","16.532","0.003","13.868","0.002","10.182","0.004","90","","90","","90","","2334.4","1.1","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N O2 Pt S -","- C6 H13 Cl2 N O2 Pt S -","- C48 H104 Cl16 N8 O16 Pt8 S8 -","8","1","FR1238","Dyksterhouse, R. Max; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>- and <i>trans</i>-Dichloro(3,6-dihydro-1,2-oxazine-<i>N</i>)(dimethyl sulfoxide-<i>S</i>)-platinum(II)","Acta Crystallographica Section C","2000","56","1","64","66","10.1107/S0108270199013803","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010564","7.9739","0.0001","14.1721","0.0002","20.3772","0.0002","90","","90","","90","","2302.76","0.05","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","","- C18 H16 Br2 N4 Pt S4 -","- C18 H16 Br2 N4 Pt S4 -","- C72 H64 Br8 N16 Pt4 S16 -","4","0.5","QA0193","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhu, Xu-Hui; Xu, Yan; Chen, Xiao-Feng; You, Xiao-Zeng","Bis[<i>S</i>-methyl 3-(2-bromobenzylidene)dithiocabazato-<i>N</i>^3^,<i>S</i>]platinum(II)","Acta Crystallographica Section C","2000","56","1","e6","e7","10.1107/S010827019901611X","","","0.71073","MoKα","","0.044","0.03","","","","0.084","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010625","9.709","0.002","13.748","0.002","7.128","0.001","90","","90","","90","","951.4","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mercury(II) polyphosphate","","- Hg O6 P2 -","- Hg O6 P2 -","- Hg8 O48 P16 -","8","1","GS1057","Weil, Matthias; Glaum, Robert","Mercury(II) polyphosphate, Hg(PO~3~)~2~","Acta Crystallographica Section C","2000","56","2","133","135","10.1107/S0108270199014067","","","0.71073","MoKα","","0.039","0.034","","","","0.093","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010675","10.0818","0.0003","16.122","0.0007","13.7747","0.0006","90","","90","","90","","2238.92","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-aminoethoxybis(2-thienyl)boron","","- C10 H12 B N O S2 -","- C10 H12 B N O S2 -","- C80 H96 B8 N8 O8 S16 -","8","1","QB0168","Low, John Nicolson; Musgrave, Oliver, C.; Wardell, James, L.","(2-Aminoethoxy)bis(2-thienyl)boron","Acta Crystallographica Section C","2000","56","2","e63","e63","10.1107/S0108270100000482","","","0.71073","MoKα","","0.074","0.046","","","","0.122","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010678","7.199","0.001","12.896","0.001","25.077","0.003","90","","90","","90","","2328.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1:1 Complex of 4-Nitrophenol and 4-Methyl-Pyridine","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","QB0172","Jin, Zhi Min; Pan, Yuan Jiang; Xu, Duan Jun; Xu, Yuan Zhi","The 1:1 complex of 4-nitrophenol and 4-methylpyridine","Acta Crystallographica Section C","2000","56","2","e69","e70","10.1107/S0108270100001074","","","0.71073","MoKα","","0.118","0.037","","","","0.077","","","","","","0.81","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010709","6.0039","0.0009","10.5565","0.0014","22.151","0.002","90","","90","","90","","1403.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","FG1572","Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids","Acta Crystallographica Section C","2000","56","3","371","373","10.1107/S0108270199015747","","","0.71073","MoKα","","0.082","0.048","","","","0.136","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010768","8.752","0.002","10.525","0.005","20.619","0.005","90","","90","","90","","1899.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","SK1336","Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","3","345","346","10.1107/S0108270199015231","","","1.54178","CuKα","","0.043","0.038","","","","0.104","","","1.1","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010772","17.7759","0.0003","9.0661","0.0002","23.5939","0.0003","90","","90","","90","","3802.35","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-2'-iodocinnamanilide","","- C22 H18 I N O -","- C22 H18 I N O -","- C176 H144 I8 N8 O8 -","8","1","SK1348","Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","Acta Crystallographica Section C","2000","56","3","349","350","10.1107/S0108270199015243","","","0.71073","MoKα","","0.127","0.059","","","","0.095","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010870","21.4651","0.0012","13.3773","0.0008","23.3868","0.0014","90","","90","","90","","6715.4","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H19 F20 Ga N2 -","- C32 H19 F20 Ga N2 -","- C256 H152 F160 Ga8 N16 -","8","1","QB0173","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate","Acta Crystallographica Section C","2000","56","4","e134","e135","10.1107/S0108270100003899","","","0.71073","MoKα","","0.114","0.045","","","","0.075","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010936","10.88","0.002","16.458","0.002","21.261","0.002","90","","90","","90","","3807.1","0.9","248","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyclohex-1-enecarbothioic acid benzyl-(4-methoxy-phenyl)-amide","","- C21 H23 N O S -","- C21 H23 N O S -","- C168 H184 N8 O8 S8 -","8","1","QA0251","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Benzyl-<i>N</i>-(4-methoxyphenyl)cyclohex-1-enecarbothioamide","Acta Crystallographica Section C","2000","56","5","e221","e221","10.1107/S0108270100004467","","","1.54184","CuKα","","","0.062","","","","0.168","","","","","","1.24","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010938","17.671","0.006","21.635","0.007","12.565","0.004","90","","90","","90","","4804","3","297","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O3 V -","- C28 H22 N2 O3 V -","- C224 H176 N16 O24 V8 -","8","1","QA0255","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e188","e189","10.1107/S0108270100004509","","","0.71073","MoKα","","","0.055","","","","0.193","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010941","21.957","0.004","20.518","0.002","7.522","0.001","90","","90","","90","","3388.8","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N'-(4-(1,1-dimethylpropyl)-benzylidene)-2-pyridinecarboxamidrazone","","- C18 H22 N4 -","- C18 H22 N4 -","- C144 H176 N32 -","8","1","QA0258","Billington, David C.; Lowe, Philip R.; Rathbone, Daniel L.; Schwalbe, Carl H.","A new amidrazone derivative with antimycobacterial activity","Acta Crystallographica Section C","2000","56","5","e211","e212","10.1107/S0108270100004807","","","1.5418","CuKα","","0.153","0.072","","","","0.231","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011012","16.8803","0.0005","16.1855","0.0004","19.3262","0.0006","90","","90","","90","","5280.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,13-(1',10'-Decandioxy)hexahelicen","","- C36 H34 O2 -","- C36 H34 O2 -","- C288 H272 O16 -","8","1","JZ1383","Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter","Two strained hexahelicenophanes","Acta Crystallographica Section C","2000","56","6","684","686","10.1107/S0108270100003140","","","1.54178","CuKα","","0.0709","0.0571","","0.1664","","0.1557","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011026","7.136","0.003","23.71","0.003","25.964","0.004","90","","90","","90","","4393","2","298","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","propane-1,3-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C21 H24 N4 O8 -","- C21 H24 N4 O8 -","- C168 H192 N32 O64 -","8","1","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.056","","","","0.167","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011050","10.6397","0.0006","8.2558","0.0005","13.0057","0.0007","90","","90","","90","","1142.41","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 O3 -","- C4 Cl2 O3 -","- C32 Cl16 O24 -","8","1","QA0304","Blake, Alexander J.; Griffiths, Rhiannon M. T.; Howdle, Steven M.; Wilson, Claire","Dichloromaleic anhydride","Acta Crystallographica Section C","2000","56","6","e273","e273","10.1107/S0108270100007034","","","0.71073","MoKα","","0.026","0.023","","","","0.067","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011065","10.24","0.0003","9.7505","0.0002","15.031","0.0004","90","","90","","90","","1500.77","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","SK1369","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","1,4-Bis(2-benzimidazolyl)benzene","Acta Crystallographica Section C","2000","56","6","718","719","10.1107/S0108270100003978","","","0.71073","MoKα","","0.111","0.0667","","","","0.1551","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011092","8.0547","0.0011","17.378","0.002","17.919","0.003","90","","90","","90","","2508.2","0.6","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,7-Dihydrodibenz[e,g]azulen-8(5H)-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.059","0.036","","","","0.105","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011093","11.8466","0.0012","12.489","0.0015","20.703","0.002","90","","90","","90","","3063.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12,13-Dihydrobenzo[e]napth[2,1-g]azulen-14(11H)-one","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.058","0.037","","","","0.11","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011104","12.634","0.003","12.832","0.003","19.406","0.004","90","","90","","90","","3146.1","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)}","","- C34 H32 N4 O7 Re2 -","- C34 H32 N4 O7 Re2 -","- C136 H128 N16 O28 Re8 -","4","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.054","0.048","","","","0.112","","","","","","1.217","","","","has coordinates,has disorder,has Fobs","200213","2020-10-21","18:00:00",""
"2011121","11.3705","0.0002","9.7132","0.0002","19.0382","0.0003","90","","90","","90","","2102.65","0.07","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methylbenzyl)malonic acid","","","- C11 H12 O4 -","- C11 H12 O4 -","- C88 H96 O32 -","8","1","FR1275","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in 2-(2-methylbenzyl)malonic acid at 150K","Acta Crystallographica Section C","2000","56","7","853","854","10.1107/S0108270100006235","","","0.71073","MoKα","","","0.048","","","","0.085","","","","","","1.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011178","16.4027","0.0006","8.76805","0.00019","19.5576","0.0004","90","","90","","90","","2812.77","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 La O10 -","- C10 H17 La O10 -","- C80 H136 La8 O80 -","8","1","SK1364","Benmerad, Belkacem; Guehria-Laidoudi, Achoura; Balegroune, Fadila; Birkedal, Henrik; Chapuis, Gervais","Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate","Acta Crystallographica Section C","2000","56","7","789","792","10.1107/S010827010000500X","","","0.71073","MoKα","","0.0326","0.028","","","","0.0494","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011190","10.413","0.002","7.599","0.0015","36.01","0.007","90","","90","","90","","2849.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-4-nitroaniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C128 H112 N16 O24 -","8","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.1622","0.0502","","0.2785","","0.1063","","","1.015","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011195","10.04","0.006","7.733","0.003","25.62","0.013","90","","90","","90","","1989.1","1.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4-dimethylaminocinnamaldehyde","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","BM1394","Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.","A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","Acta Crystallographica Section C","2000","56","8","976","978","10.1107/S0108270100006351","","","0.71073","MoKα","","0.173","0.123","","","","0.257","","","","","","1.141","","","","has coordinates,has Fobs","277836","2022-09-14","17:02:02",""
"2011296","7.9476","0.0002","11.5546","0.0003","29.4257","0.0008","90","","90","","90","","2702.2","0.12","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4'-Vinyl-2,2':6',2''-terpyridine","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","1","BM1415","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","4'-Vinyl-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2000","56","9","1142","1143","10.1107/S0108270100008295","","","0.71073","MoKα","","0.0747","0.0521","","","","0.147","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011301","15.774","0.003","11.739","0.002","18.239","0.004","90","","90","","90","","3377.3","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di[tri(ethylenediamino)ferro] antimony selenide","","- C12 H48 Fe2 N12 Sb2 Se5 -","- C12 H48 Fe2 N12 Sb2 Se5 -","- C48 H192 Fe8 N48 Sb8 Se20 -","4","0.5","DA1117","Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing","Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)","Acta Crystallographica Section C","2000","56","9","1100","1103","10.1107/S0108270100006879","","","0.71073","MoKα","","0.182","0.0823","","","","0.1711","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011400","11.47","0.003","9.966","0.006","16.023","0.001","90","","90","","90","","1831.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Arginine","DL-2-amino-5-guanidovaleric acid","","- C6 H16 N4 O3 -","- C6 H16 N4 O3 -","- C48 H128 N32 O24 -","8","1","BM1417","Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter","<small>DL</small>-Arginine monohydrate at 100K","Acta Crystallographica Section C","2000","56","10","1274","1276","10.1107/S0108270100010325","","","0.71073","MoKα","","0.0346","0.0344","","","","0.0796","","","","","","1.121","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011436","9.9313","0.0018","10.3818","0.0014","23.253","0.002","90","","90","","90","","2397.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","QA0324","SethuSankar, K.; Banumathi, S.; Krishna, R.; Velmurugan, D.","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","Acta Crystallographica Section C","2000","56","10","e479","e480","10.1107/S0108270100012117","","","1.54184","CuKα","","0.055","0.044","","","","0.176","","","","","","1.311","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011450","8.8218","0.0005","9.8252","0.0006","10.1163","0.0006","90","","90","","90","","876.8","0.2","298","","298","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mansfieldite","- Al As H4 O6 -","- Al As H4 O6 -","- Al8 As8 H32 O48 -","8","1","","Harrison, William T. A.","Synthetic mansfieldite, AlAsO~4~.2H~2~O","Acta Crystallographica, Section C","2000","56","","e421","e421","10.1107/S0108270100011690","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2011473","5.862","0.0019","12.3986","0.0016","26.854","0.003","90","","90","","90","","1951.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium α-hydronitrilotriacetate dihydrate","","- C6 H12 N Na O8 -","- C6 H12 N Na O8 -","- C48 H96 N8 Na8 O64 -","8","1","QD0035","Kang, Jun-Gill; Hong, Jung-Pyo; Kang, Sung Kwon","Sodium hydrogen nitrilotriacetate dihydrate","Acta Crystallographica Section C","2000","56","10","e432","e433","10.1107/S0108270100012014","","","0.71073","MoKα","","0.056","0.038","","","","0.109","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011478","24.902","0.006","15.109","0.006","6.674","0.002","90","","90","","90","","2511.1","1.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","SK1403","Basu Baul, T. S.; Dhar, S.; Tiekink, E. R. T.","2-Hydroxy-5-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]benzoic acid","Acta Crystallographica Section C","2000","56","10","1280","1281","10.1107/S0108270100010118","","","0.71073","MoKα","","","0.034","","","","0.033","","","","","","1.65","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011588","12.2978","0.0002","10.9183","0.0002","30.59","0.0005","90","","90","","90","","4107.35","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H20 B10 Co2 O5 S2 -","- C9 H20 B10 Co2 O5 S2 -","- C72 H160 B80 Co16 O40 S16 -","8","1","BJ1001","Londesborough, Michael G.S.; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Štíbr, Bohumil","[1,1,2,2-(CO)~4~-1,2-μ-(CO)-4,11-(SMe~2~)~2~-<i>closo</i>-1,2-Co~2~B~10~H~8~]","Acta Crystallographica Section C","2000","56","12","1423","1424","10.1107/S0108270100012282","","","0.71073","MoKα","","0.0517","0.0316","","","","0.0613","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011624","11.735","0.001","9.775","0.001","20.695","0.002","90","","90","","90","","2373.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(1,3-Dithian-2-yl)-2-phenylethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C96 H112 O8 S16 -","8","1","QA0403","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","1-(1,3-Dithian-2-yl)-2-phenylethanone","Acta Crystallographica Section C","2000","56","12","e567","e568","10.1107/S0108270100014785","","","0.71073","MoKα","","0.036","0.03","","","","0.08","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011632","15.1607","0.0007","12.786","0.0009","23.316","0.001","90","","90","","90","","4519.7","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H52 Cu2 F12 N10 O2 P2 -","- C30 H52 Cu2 F12 N10 O2 P2 -","- C120 H208 Cu8 F48 N40 O8 P8 -","4","0.5","QA0421","Kim, Jun Hwan; Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-methoxo-bis({<i>N</i>,<i>N</i>'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>}copper(II)) bis(hexafluorophosphate)","Acta Crystallographica Section C","2000","56","12","e543","e544","10.1107/S0108270100014815","","","0.71073","MoKα","","0.149","0.069","","","","0.189","","","","","","1.38","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011688","20.013","0.006","13.456","0.003","11.424","0.003","90","","90","","90","","3076.4","1.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Dimethylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C11 H17 N5 O2 S2 -","- C11 H17 N5 O2 S2 -","- C88 H136 N40 O16 S16 -","8","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","3.22","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011705","11.088","0.002","6.884","0.001","21.976","0.004","90","","90","","90","","1677.4","0.5","293","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-phenyl-4-nitroimidazole","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.0504","0.0349","","","","0.0957","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011731","17.258","0.004","17.614","0.004","6.925","0.002","90","","90","","90","","2105.1","0.9","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Ba Cl2 O7 -","- C6 H6 Ba Cl2 O7 -","- C48 H48 Ba8 Cl16 O56 -","8","1","OA1107","Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji","A new polymorph of barium chloroanilate trihydrate","Acta Crystallographica Section C","2001","57","1","18","19","10.1107/S0108270100013639","","","0.71073","MoKα","","0.071","0.06","","0.067","","0.065","","","1.608","","","1.67","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2011744","14.815","0.004","16.226","0.005","17.67","0.005","90","","90","","90","","4248","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C24 H23 O3 P -","- C24 H23 O3 P -","- C192 H184 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.138","0.058","","","","0.124","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011745","14.932","0.007","16.343","0.006","17.78","0.007","90","","90","","90","","4339","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","i-Propyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C25 H25 O3 P -","- C25 H25 O3 P -","- C200 H200 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.195","0.089","","","","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011790","26.12","0.005","18.473","0.004","10.379","0.003","90","","90","","90","","5008","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C.I. Solvent Yellow 4","4-(phenyldiazenyl)naphthalen-1-amine","","- C16 H13 N3 -","- C16 H13 N3 -","- C256 H208 N48 -","16","2","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","0.71073","MoKα","","0.105","0.053","","","","0.118","","","","","","1.282","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011809","10.752","0.001","7.893","0.001","27.391","0.003","90","","90","","90","","2324.6","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 Cu F2 N2 O2 -","- C28 H22 Cu F2 N2 O2 -","- C112 H88 Cu4 F8 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.069","0.043","","","","0.121","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011837","13.4239","0.0011","7.2198","0.0005","25.441","0.003","90","","90","","90","","2465.7","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Phenylfuro[3,2-c]chromen-4-one","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","AV1062","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","3-Phenyl-4<i>H</i>-furo[3,2-<i>c</i>]chromen-4-one","Acta Crystallographica Section C","2001","57","4","493","494","10.1107/S0108270101001433","","","0.71073","MoKα","","0.111","0.052","","","","0.123","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011845","9.8818","0.0017","27.375","0.006","9.811","0.0012","90","","90","","90","","2654","0.8","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(1-Acetoxyethylidene)fluorene","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BJ1021","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","4","428","430","10.1107/S0108270100020539","","","0.71069","MoKα","","0.143","0.041","","","","0.115","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011886","8.6469","0.0005","17.8651","0.0008","28.7434","0.0015","90","","90","","90","","4440.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate","","- C22 H16 B Cu F4 N7 -","- C22 H16 B Cu F4 N7 -","- C176 H128 B8 Cu8 F32 N56 -","8","1","JZ1434","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar","Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","4","363","365","10.1107/S0108270100020503","","","0.71073","MoKα","","0.087","0.045","","","","0.141","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011905","11.459","0.002","9.7078","0.0011","13.468","0.004","90","","90","","90","","1498.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N']","","- C6 H8 Br Cu N2 -","- C6 H8 Br Cu N2 -","- C48 H64 Br8 Cu8 N16 -","8","1","SK1444","Näther, Christian; Greve, Jan","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","4","377","378","10.1107/S0108270101000051","","","0.71073","MoKα","","0.057","0.032","","","","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011914","10.4286","0.0005","12.1213","0.0012","14.6271","0.0018","90","","90","","90","","1849","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethylglycinium trifluoroacetate","1-Carboxy-N,N-dimethylmethanaminium trifluoroacetate","","- C6 H10 F3 N O4 -","- C6 H10 F3 N O4 -","- C48 H80 F24 N8 O32 -","8","1","SK1450","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Conformation of cationic <i>N</i>,<i>N</i>-dimethylglycine in dimethylglycinium trifluoroacetate","Acta Crystallographica Section C","2001","57","4","417","420","10.1107/S0108270101000087","","","0.71073","MoKα","","0.052","0.037","","","","0.105","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011954","12.313","0.002","10.674","0.005","19.535","0.002","90","","90","","90","","2567.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C112 H144 O16 S8 -","8","1","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.081","0.052","","","","0.15","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011981","16.116","0.0001","12.8286","0.0002","17.593","0.0003","90","","90","","90","","3637.28","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diphenyldithiophosphinato-tetracarbonylrhenium(I)","","- C16 H10 O4 P Re S2 -","- C16 H10 O4 P Re S2 -","- C128 H80 O32 P8 Re8 S16 -","8","1","JZ1448","García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M.","Tetracarbonyl(diphenyldithiophosphinato-<i>S</i>,<i>S</i>')rhenium(I)","Acta Crystallographica Section C","2001","57","5","532","533","10.1107/S0108270101002190","","","0.71073","MoKα","","0.0592","0.0412","","","","0.0976","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012038","9.37","0.0004","13.033","0.0005","17.521","0.0006","90","","90","","90","","2139.65","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Biphenylylurea","4-Biphenylylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","JZ1458","George, Sumod; Nangia, Ashwini; Lynch, Vincent M.","<i>N</i>-(4-Biphenylyl)urea","Acta Crystallographica Section C","2001","57","6","777","778","10.1107/S0108270101005807","","","0.71073","MoKα","","0.0543","0.0404","","0.1044","","0.0965","","","1.015","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012069","10.6601","0.0005","10.5515","0.0005","14.5604","0.0006","90","","90","","90","","1637.75","0.13","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,1'-bis(nido-decaboranyl)","","- B20 H26 -","- B20 H26 -","- B80 H104 -","4","0.5","BR1315","Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat","Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(<i>nido</i>-decaboranyl)","Acta Crystallographica Section C","2001","57","7","779","780","10.1107/S0108270101003407","","","0.689","synchrotron","","0.0781","0.0558","","","","0.1503","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012074","13.318","0.001","15.217","0.002","17.965","0.001","90","","90","","90","","3640.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","azaadamantanone","2,9-Bis(3-nitrophenyl)-1-azatricyclo[3.3.1.1^3,7^]decan-4-one","","- C21 H19 N3 O5 -","- C21 H19 N3 O5 -","- C168 H152 N24 O40 -","8","1","DA1181","Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor","2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one","Acta Crystallographica Section C","2001","57","7","868","869","10.1107/S0108270101007612","","","0.71073","MoKα","","0.098","0.058","","","","0.133","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012094","17.9382","0.0014","10.7801","0.0008","6.6879","0.0006","90","","90","","90","","1293.28","0.18","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium dithiocyanatoargentate","Potassium [silver(I)-di-μ-thiocyanato-S:S]","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.023","0.02","","","","0.046","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012107","20.1931","0.0005","20.2156","0.0004","23.199","0.0004","90","","90","","90","","9470.2","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride","","- C39 H72 Cl2 N6 S3 Te -","- C39 H72 Cl2 N6 S3 Te -","- C312 H576 Cl16 N48 S24 Te8 -","8","1","SK1475","Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu","Chlorotris(<i>N</i>,<i>N</i>'-dicyclohexylthiourea-<i>S</i>)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere","Acta Crystallographica Section C","2001","57","7","854","856","10.1107/S010827010100659X","","","0.71073","MoKα","","0.076","0.03","","","","0.066","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012124","22.466","0.008","24.859","0.009","6.906","0.003","90","","90","","90","","3857","3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Nitrophenyl)-phenylamino]-5H-pyrido[3,2-b]indole-3-carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","1","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1<i>H</i>-pyrido[3,2-<i>b</i>]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.72","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012160","7.4215","0.0005","12.6755","0.0009","16.4638","0.0011","90","","90","","90","","1548.77","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.1376","0.0631","","","","0.1798","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012163","7.736","0.0002","10.2394","0.0004","29.7822","0.0011","90","","90","","90","","2359.11","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Piperazinium(2+) bis(mandelate) bis(methanol) solvate","","- C22 H34 N2 O8 -","- C22 H34 N2 O8 -","- C88 H136 N8 O32 -","4","0.5","SK1483","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate","Acta Crystallographica Section C","2001","57","8","955","957","10.1107/S0108270101007922","","","0.71073","MoKα","","0.127","0.048","","","","0.133","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012203","10.281","0.002","17.244","0.003","26.382","0.005","90","","90","","90","","4677.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C192 H160 Cl16 Pt8 S16 -","8","1","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","<i>Cis</i>- and <i>trans</i>-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.0759","0.0454","","","","0.1061","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012244","7.8838","0.0018","14.719","0.003","21.277","0.004","90","","90","","90","","2469","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2-phenylmethylsulfanyl)phenyl]ethanone","","- C15 H14 O S -","- C15 H14 O S -","- C120 H112 O8 S8 -","8","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in <i>S</i>-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0415","0.0328","","","","0.0868","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012268","7.2752","0.0003","10.7294","0.0004","15.4991","0.0007","90","","90","","90","","1209.84","0.09","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-5-ethyl-1,3,4-thiadiazole","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C32 H56 N24 S8 -","8","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.092","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012323","14.676","0.002","9.967","0.002","18.937","0.003","90","","90","","90","","2770","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1S*,2R*,9S*,10aR*)-9-methoxy-8-oxo-1,2,3,5,6,7,8,9,10,10a-decahydro- benzocyclooctene-1,2-dicarboxylic acid","","- C15 H20 O6 -","- C15 H20 O6 -","- C120 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.6892","synchrotron","","0.118","0.084","","","","0.231","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012365","14.164","0.002","12.034","0.002","27.648","0.003","90","","90","","90","","4712.6","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)","","- C26 H22 Cd N2 S2 -","- C26 H22 Cd N2 S2 -","- C208 H176 Cd8 N16 S16 -","8","1","DA1203","Wacholtz, William F.; Mague, Joel T.","Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section C","2001","57","12","1400","1402","10.1107/S0108270101015906","","","0.71073","MoKα","","0.1275","0.035","","","0.0839","0.1023","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012519","8.059","0.001","12.116","0.001","24.744","0.002","90","","90","","90","","2416.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-phenoxy-4-pyridyl)methanesulfonamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C96 H96 N16 O24 S8 -","8","1","SK1503","Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Dogné, Jean-Michel; de Leval, Xavier; Norberg, Bernadette; Pirotte, Bernard; Durant, François","<i>N</i>-(3-Phenoxy-4-pyridinio)methanesulfonamidate","Acta Crystallographica Section C","2002","58","2","o88","o89","10.1107/S0108270101018595","","","1.54178","CuKα","","0.033","0.032","","","0.095","0.096","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012577","13.0928","0.0002","12.6946","0.0002","13.2335","0.0002","90","","90","","90","","2199.51","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(chloromethyl)phosphonium chloride monohydrate","","- C4 H10 Cl5 O P -","- C4 H10 Cl5 O P -","- C32 H80 Cl40 O8 P8 -","8","1","GG1097","Weisbarth, Ralf; Jansen, Martin","Tetrakis(chloromethyl)phosphonium chloride monohydrate","Acta Crystallographica Section C","2002","58","3","o189","o190","10.1107/S0108270102001543","","","0.71073","MoKα","","0.031","0.026","","","0.059","0.062","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012627","9.923","0.003","9.527","0.003","27.337","0.007","90","","90","","90","","2584.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-aminopyridium 2-chloro-4-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C96 H80 Cl8 N24 O32 -","8","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.096","0.04","","","0.097","0.137","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012658","12.287","0.004","14.352","0.004","24.719","0.003","90","","90","","90","","4359","1.9","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H7 Ir3 Mo O11 -","- C17 H7 Ir3 Mo O11 -","- C136 H56 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.059","0.034","","0.0366","","0.0343","","","1.43","","","1.549","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012659","11.543","0.005","17.198","0.009","25.382","0.006","90","","90","","90","","5039","4","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Ir3 Mo O11 -","- C20 H13 Ir3 Mo O11 -","- C160 H104 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0748","0.0384","","0.0382","","0.0341","","","1.23","","","1.312","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012673","5.3259","0.0002","6.272","0.0002","14.259","0.0006","90","","90","","90","","476.31","0.03","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0281","0.0238","","","0.0572","0.0589","","","","","","1.273","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012674","5.3014","0.0002","6.2319","0.0002","14.2427","0.0002","90","","90","","90","","470.55","0.02","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0288","0.0277","","","0.0614","0.0617","","","","","","1.288","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012690","5.3145","0.0002","10.6234","0.0005","14.7782","0.0007","90","","90","","90","","834.35","0.06","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","γ sodium gallate","","- Ga Na O2 -","- Ga Na O2 -","- Ga16 Na16 O32 -","16","2","BR1357","Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón","γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction","Acta Crystallographica Section C","2002","58","5","i69","i70","10.1107/S0108270102003049","","","1.54056","CuKα~1~","","","","","","","","","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012727","15.5374","0.0007","20.7751","0.0009","22.3924","0.001","90","","90","","90","","7228.1","0.6","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pentachloro-1κ^3^Cl,2κ^2^Cl-tris(diethylphenylphosphino)-1κP,2κ^2^P- dirhenium(II,III)(Re—Re)","","- C30 H45 Cl5 P3 Re2 -","- C30 H45 Cl5 P3 Re2 -","- C240 H360 Cl40 P24 Re16 -","8","1","TA1365","Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.","Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III)","Acta Crystallographica Section C","2002","58","5","m302","m303","10.1107/S0108270102005644","","","0.71073","MoKα","","0.0586","0.031","","","0.0441","0.0484","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012730","14.596","0.001","14.753","0.001","28.531","0.004","90","","90","","90","","6143.7","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N O7 Si -","- C32 H39 N O7 Si -","- C256 H312 N8 O56 Si8 -","8","1","BK1630","Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G.","2-(3-<i>tert</i>-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole","Acta Crystallographica Section C","2002","58","6","o330","o332","10.1107/S0108270102003669","","","0.71073","MoKα","","0.0877","0.0483","","","0.0968","0.1273","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012746","9.4742","0.0008","19.287","0.001","33.032","0.002","90","","90","","90","","6035.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Oxo-4,5-dihydropyrazolo[3,4-d]pyrimidine","6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine- 4-one","","- C15 H16 N4 O S -","- C15 H16 N4 O S -","- C240 H256 N64 O16 S16 -","16","2","DE1182","Avasthi, Kamlakar; Rawat, Diwan S.; Sarkhel, Sanjay; Maulik, Prakas R.","A dimeric layered structure of a 4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine compound","Acta Crystallographica Section C","2002","58","6","o325","o327","10.1107/S0108270102006649","","","1.5418","CuKα","","0.064","0.049","","","0.169","0.19","","","","","","1.523","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012822","25.678","0.004","7.4815","0.0013","6.9588","0.0012","90","","90","","90","","1336.9","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-diphenyl-1,4-phenylenediamine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.077","0.049","","","0.121","0.133","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012826","8.8713","0.0002","18.5116","0.0001","22.1042","0.0005","90","","90","","90","","3629.99","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","NA1575","Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate dihydrate","Acta Crystallographica Section C","2002","58","7","m401","m403","10.1107/S0108270102009320","","","0.71073","MoKα","","","0.0383","","","0.0832","0.0967","","","","","","1.043","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012861","7.9689","0.0011","7.603","0.0008","24.654","0.003","90","","90","","90","","1493.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-nitrophenylacetonitrile","(2-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.048","0.041","","","0.119","0.123","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012866","11.324","0.001","9.855","0.001","35.012","0.001","90","","90","","90","","3907.3","0.5","294","1","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cilostazol","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one","","- C20 H27 N5 O2 -","- C20 H27 N5 O2 -","- C160 H216 N40 O16 -","8","1","FG1656","Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.","Polymorphic forms of cilostazol","Acta Crystallographica Section C","2002","58","8","o525","o527","10.1107/S0108270102012544","","","0.71073","MoKα","","0.058","0.042","","0.045","","0.042","","","2.102","","","1.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012883","7.9024","0.0005","28.7265","0.0015","11.3019","0.0006","90","","90","","90","","2565.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-iodo-N-(3-Nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C104 H88 I8 N16 O16 -","8","1","GG1122","Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.","2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation","Acta Crystallographica Section C","2002","58","8","o487","o490","10.1107/S010827010201140X","","","0.71073","MoKα","","0.032","0.023","","","0.069","0.083","","","","","","1.211","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012893","15.38","0.0012","7.0779","0.0005","30.148","0.002","90","","90","","90","","3281.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-thiosulfato-κ^2^O:S]","","- C14 H16 Mn N2 O5 S2 -","- C14 H16 Mn N2 O5 S2 -","- C112 H128 Mn8 N16 O40 S16 -","8","1","OB1070","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2002","58","8","m455","m458","10.1107/S0108270102012404","","","0.71073","MoKα","","0.077","0.041","","","0.078","0.087","","","","","","0.853","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012930","12.058","0.002","7.054","0.001","24.398","0.005","90","","90","","90","","2075.2","0.6","90","0.2","90","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.058","0.042","","","0.104","0.112","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012935","7.0604","0.0004","16.4995","0.0011","25.6678","0.0017","90","","90","","90","","2990.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-bis(hydroxymethyl)-4-[1-(4-methoxyphenyl)-1-methylethyl]phenol","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0637","0.0447","","","0.1082","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012961","14.991","0.001","10.633","0.001","15.064","0.001","90","","90","","90","","2401.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Dimorphorino-2-ethylium-1-dithioate","","- C10 H16 N2 O2 S2 -","- C10 H16 N2 O2 S2 -","- C80 H128 N16 O16 S16 -","8","1","TA1383","Fujihara, Takashi; Ohba, Takeshi; Nagasawa, Akira; Nakayama, Juzo; Yoza, Kenji","The stable inner salt 2,2-dimorpholino-2-ethylium-1-dithioate","Acta Crystallographica Section C","2002","58","9","o558","o559","10.1107/S0108270102013756","","","0.71073","MoKα","","0.0596","0.0453","","","0.0972","0.1032","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012965","8.7343","0.0004","17.945","0.0009","28.723","0.0017","90","","90","","90","","4502","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2,2'-bipyridine-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C22 H16 Cl Cu N7 O4 -","- C22 H16 Cl Cu N7 O4 -","- C176 H128 Cl8 Cu8 N56 O32 -","8","1","BM1508","Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>^1^)(dicyanamido-κ<i>N</i>')copper(II) perchlorate and μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination","Acta Crystallographica Section C","2002","58","10","m523","m528","10.1107/S0108270102015731","","","0.71073","MoKα","","0.064","0.036","","","0.084","0.091","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013025","9.4933","0.0003","9.7792","0.0003","20.2345","0.0007","90","","90","","90","","1878.51","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.086","0.043","","","0.091","0.104","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013034","8.179","0.0016","22.747","0.005","31.752","0.006","90","","90","","90","","5907","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Acetonitrile[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒ tetrafluoroborate‒acetonitrile (1/2/2)","","- C23 H24 B2 Cu F8 N10 O -","- C23 H24 B2 Cu F8 N10 O -","- C184 H192 B16 Cu8 F64 N80 O8 -","8","1","GG1141","Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A.","(Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒tetrafluoroborate‒acetonitrile (1/2/2)","Acta Crystallographica Section C","2002","58","11","m542","m544","10.1107/S0108270102018097","","","0.71073","MoKα","","0.089","0.059","","","0.157","0.175","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013139","16.9558","0.0003","18.1603","0.0002","22.2255","0.0001","90","","90","","90","","6843.73","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)]","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C240 H192 Au16 Cl16 P16 -","8","1","FG1679","Mohamed, Ahmed A.; Krause Bauer, Jeanette A.; Bruce, Alice E.; Bruce, Mitchell R. M.","[μ-<i>o</i>-Phenylenebis(diphenylphosphine)-κ^2^<i>P</i>:<i>P</i>']bis[chlorogold(I)], dppbz(AuCl)~2~","Acta Crystallographica Section C","2003","59","3","m84","m86","10.1107/S0108270103002154","","","0.71073","MoKα","","0.089","0.043","","","0.066","0.076","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013147","12.2129","0.0017","11.5137","0.0016","15.456","0.002","90","","90","","90","","2173.4","0.5","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium benzoate","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","FR1405","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","2-Aminopyridinium benzoate","Acta Crystallographica Section C","2003","59","1","o51","o52","10.1107/S0108270102022333","","","0.71073","MoKα","","0.065","0.036","","","0.083","0.088","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013170","12.319","0.002","10.976","0.002","22.826","0.004","90","","90","","90","","3086.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","7,16-diazonia-18-crown-6-bis(4-aminobenzenesulfonate) dihydrate","1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(4-aminobenzenesulfonate) dihydrate","","- C24 H44 N4 O12 S2 -","- C24 H44 N4 O12 S2 -","- C96 H176 N16 O48 S8 -","4","0.5","GG1151","Fonari, Marina S.; Simonov, Yurii A.; Botoshansky, Mark; Ganin, Eduard V.; Yavolovskii, Arkadii A.","The hydrogen-bonded adduct 7,16-diazonia-18-crown-6‒4-aminobenzenesulfonate‒water (1/2/2)","Acta Crystallographica Section C","2003","59","2","o88","o90","10.1107/S010827010300129X","","","0.71073","MoKα","","0.076","0.042","","","0.106","0.118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013205","9.1467","0.0018","16.102","0.003","24.318","0.005","90","","90","","90","","3581.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(1-Naphthylacetyl)glycine phenacyl ester","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","SK1607","Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr","<i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate","Acta Crystallographica Section C","2003","59","2","o77","o79","10.1107/S0108270103000155","","","0.71073","MoKα","","0.0425","0.04","","","0.0831","0.0845","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013211","7.4171","0.0002","22.1145","0.0008","15.7093","0.0004","90","","90","","90","","2576.73","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 I N2 O2 S -","- C12 H9 I N2 O2 S -","- C96 H72 I8 N16 O16 S8 -","8","1","SK1610","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Iodo-<i>N</i>-(2-nitrophenylsulfanyl)aniline: π-stacked sheets generated by a combination of N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","3","o95","o97","10.1107/S0108270103000775","","","0.71073","MoKα","","0.0841","0.0403","","","0.0715","0.0818","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013244","7.6844","0.001","14.424","0.0018","22.378","0.003","90","","90","","90","","2480.4","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2-bromophenyl) disulfide","Bis(2-bromophenyl) disulfide","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C96 H64 Br16 S16 -","8","1","BM1522","J.R. Anacona; Jofre Gómez; Daniel Loroño","Two polymorphs of bis(2-bromophenyl) disulfide","Acta Crystallographica Section C","2003","59","5","o277","o280","10.1107/S0108270103006851","","","0.71073","MoKα","","0.0222","0.0189","","","0.0481","0.0485","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013268","10.593","0.001","15.134","0.002","28.592","0.003","90","","90","","90","","4583.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ansa-[(tert-butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~","(N-tert-butyl-N-{[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methano-1H-inden- 2-yl]dimethylsilyl}amido)-κN]bis(N-methylmethanaminato-κN)zirconium(IV)","","- C20 H37 N3 Si Zr -","- C20 H37 N3 Si Zr -","- C160 H296 N24 Si8 Zr8 -","8","1","FR1410","Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.","<i>ansa</i>-[(<i>tert</i>-Butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~ prepared by an amine-elimination reaction","Acta Crystallographica Section C","2003","59","4","m109","m111","10.1107/S0108270103003172","","","0.71073","MoKα","","0.038","0.029","","","0.075","0.08","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013313","7.4958","0.0006","7.1942","0.0006","20.7522","0.0018","90","","90","","90","","1119.09","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","palladium-ethylxanthate","bis(O-ethyl dithiocarbonato)palladium(II)","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","LN1165","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib","Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section C","2003","59","5","m199","m200","10.1107/S0108270103007406","","","0.71073","MoKα","","0.0384","0.0257","","","0.0545","0.0569","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013337","19.61","0.05","17.35","0.002","16.832","0.002","90","","90","","90","","5727","15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","","- C34 H62 Cl14 N4 Si2 Zr2 -","- C34 H62 Cl14 N4 Si2 Zr2 -","- C136 H248 Cl56 N16 Si8 Zr8 -","4","0.5","NA1614","Roberto Centore; Angela Tuzi; Dario Liguori","Bis[<i>N</i>,<i>N</i>'-diisopropyl-<i>N</i>-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","Acta Crystallographica Section C","2003","59","6","m241","m242","10.1107/S0108270103010035","","","0.71069","MoKα","","0.1123","0.0491","","","0.1208","0.1469","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013361","13.5867","0.0006","7.8621","0.0002","13.9932","0.0006","90","","90","","90","","1494.75","0.1","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-2,6-dimethoxypyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C48 H72 N24 O16 -","8","1","SK1625","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π‒π-stacking interaction","Acta Crystallographica Section C","2003","59","4","o202","o204","10.1107/S010827010300547X","","","0.71073","MoKα","","0.0945","0.047","","","0.1094","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013380","15.154","0.004","10.499","0.003","36.743","0.008","90","","90","","90","","5846","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane","","- C28 H44 S6 -","- C28 H44 S6 -","- C224 H352 S48 -","8","1","TR1053","Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata","Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane]","Acta Crystallographica Section C","2003","59","6","o314","o316","10.1107/S0108270103008369","","","0.71069","MoKα","","","0.0629","","","","0.2043","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013400","6.43","0.0013","13.709","0.003","17.134","0.003","90","","90","","90","","1510.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene","","- C10 N12 O6 -","- C10 N12 O6 -","- C40 N48 O24 -","4","0.5","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0556","0.0404","","","0.1011","0.1107","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013431","11.274","0.002","13.822","0.002","21.606","0.003","90","","90","","90","","3366.8","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Cl4 N3 Sn -","- C9 H15 Cl4 N3 Sn -","- C72 H120 Cl32 N24 Sn8 -","8","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.049","0.027","","0.038","","0.034","","","1.07","","","1.108","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013472","11.138","0.002","13.57","0.003","14.57","0.003","90","","90","","90","","2202.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-dibromo-2-hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C80 H80 Br16 O16 -","8","1","JZ1565","Steyl, Gideon; Roodt, Andreas","3,7-Dibromohinokitiol: a redetermination","Acta Crystallographica Section C","2003","59","9","o525","o527","10.1107/S0108270103016548","","","0.71073","MoKα","","0.07","0.037","","","0.093","0.106","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013590","10.6464","0.0007","10.7749","0.0007","20.854","0.0013","90","","90","","90","","2392.2","0.3","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.06","0.046","","","0.099","0.105","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013605","12.5103","0.0007","8.4276","0.0006","24.401","0.002","90","","90","","90","","2572.6","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[dipotassium [bis[μ-N-salicylidene-β-alaninato(2-)]-κ^4^O,N,O':O'';κ^4^O'':O,N,O'- dicopper(II)]-di-μ-isothiocyanato-k^2^N:S;κ^2^S:N]","","- C11 H9 Cu K N2 O3 S -","- C11 H9 Cu K N2 O3 S -","- C88 H72 Cu8 K8 N16 O24 S8 -","8","1","GD1279","Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga","<i>catena</i>-Poly[potassium [copper(II)-μ-isothiocyanato-μ-<i>N</i>-salicylidene-β-alaninato(2‒)]]","Acta Crystallographica Section C","2003","59","12","m509","m511","10.1107/S0108270103023151","","","0.71073","MoKα","","0.04","0.033","","","0.077","0.08","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013637","17.6868","0.0007","20.6923","0.0008","20.7567","0.0008","90","","90","","90","","7596.5","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(perchlorato-κ^2^O,O')[28,31,36,39-tetraoxa-1,9,17,25,42- pentaazahexacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane- κ^8^N^1^,N^9^,N^17^,N^42^,O^28^,O^31^,O^36^,O^39^]barium(II) perchlorate","","- C33 H41 Ba Cl2 N5 O12 -","- C33 H41 Ba Cl2 N5 O12 -","- C264 H328 Ba8 Cl16 N40 O96 -","8","1","JZ1570","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A barium perchlorate complex with a lateral macrobicycle derived from 4,13-diaza-18-crown-6 containing a pyridine Schiff base spacer","Acta Crystallographica Section C","2003","59","11","m450","m451","10.1107/S0108270103016901","","","0.71073","MoKα","","0.093","0.048","","","0.078","0.092","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013639","8.567","0.002","12.33","0.003","18.343","0.004","90","","90","","90","","1937.6","0.8","96","0.1","96","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C64 H80 N16 O32 S8 -","8","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0459","0.0311","","","0.0857","0.1141","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013643","9.1894","0.001","7.9653","0.0009","15.6683","0.0017","90","","90","","90","","1146.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)cobalt(II)","","- C6 H12 Cl2 Co N4 O2 -","- C6 H12 Cl2 Co N4 O2 -","- C24 H48 Cl8 Co4 N16 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0246","","","0.0562","0.0606","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013644","9.1185","0.0007","7.9344","0.0006","15.5636","0.0012","90","","90","","90","","1126.02","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)nickel(II)","","- C6 H12 Cl2 N4 Ni O2 -","- C6 H12 Cl2 N4 Ni O2 -","- C24 H48 Cl8 N16 Ni4 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0283","","","0.0594","0.0616","","","","","","1.27","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013753","14.2587","0.0009","8.5369","0.0006","14.9245","0.001","90","","90","","90","","1816.7","0.2","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-trimethylbenzamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","FA1038","Maria Gdaniec; Teresa Olszewska; Tadeusz Połoński","2,4,6-Trimethylbenzamide","Acta Crystallographica Section C","2004","60","1","o41","o43","10.1107/S0108270103026611","","","0.71073","MoKα","","0.0865","0.0425","","","0.0768","0.0903","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013793","16.1522","0.0001","10.4928","0.0001","18.9161","0.0003","90","","90","","90","","3205.93","0.06","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(arsenato)fluorohydroxotrigallium 1,3-diaminopropane monohydrate","","- C3 H15 As3 F Ga3 N2 O14 -","- C3 H12 As3 F Ga3 N2 O14 -","- C24 H96 As24 F8 Ga24 N16 O112 -","8","1","GD1296","Loiseau, Thierry; Ferey, Gerard","A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga~3~(AsO~4~)~3~(OH)F](C~3~H~12~N~2~)·H~2~O","Acta Crystallographica Section C","2004","60","3","i30","i32","10.1107/S010827010400071X","","","0.71073","MoKα","","0.0454","0.0354","","","0.085","0.087","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013806","7.2761","0.0002","14.8881","0.0005","23.0407","0.0006","90","","90","","90","","2495.94","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-Nitrophenyl)benzamide-2-carboxylic acid","2-(2-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.093","0.049","","","0.1","0.115","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013846","12.3382","0.0014","8.6777","0.0009","25.968","0.004","90","","90","","90","","2780.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-bis(2-chlorophenyl)-4-amino-1H-1,2,4-triazole","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C112 H80 Cl16 N32 -","8","1","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0644","0.0364","","","0.0872","0.0975","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013850","9.3808","0.0001","24.9553","0.0004","10.3277","0.0001","90","","90","","90","","2417.72","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^2^-(2-Hydroxybenzoyloxy)benzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0484","0.0391","","","0.0984","0.1048","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013927","6.7762","0.0005","5.0901","0.0004","14.3098","0.0011","90","","90","","90","","493.57","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","sodium catena-arsenite","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.0607","0.0396","","","0.1007","0.1085","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013946","14.8041","0.0009","18.0337","0.0012","18.1151","0.0012","90","","90","","90","","4836.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","E-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (E)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C232 H200 O32 P8 -","8","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0567","0.0425","","","0.1003","0.1062","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014059","16.107","0.009","7.547","0.004","17.437","0.01","90","","90","","90","","2120","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)-di-μ- tricyanomethanido-κ^2^N:N']","","- C18 H16 Mn N10 -","- C18 H16 Mn N10 -","- C72 H64 Mn4 N40 -","4","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0578","0.035","","","0.0782","0.0861","","","","","","0.938","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014104","10.938","0.002","11.464","0.002","22.038","0.004","90","","90","","90","","2763.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cerium chromate hydrate","dicerium(IV) tetrachromate(VI) dihydrate","","- Ce2 Cr4 H4 O18 -","- Ce2 Cr4 H4 O18 -","- Ce16 Cr32 H32 O144 -","8","1","BC1054","Kolitsch, Uwe; Schwendtner, Karolina","A new chromate of tetravalent cerium: Ce~2~(CrO~4~)~4~·2H~2~O","Acta Crystallographica Section C","2004","60","9","i89","i90","10.1107/S0108270104017275","","","0.71073","MoKα","","0.0212","0.0176","","","0.0431","0.0442","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014163","7.761","0.005","22.288","0.005","10.684","0.005","90","","90","","90","","1848.1","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0806","0.0368","","","0.0823","0.0939","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014210","11.3371","0.0008","12.7769","0.0009","29.1481","0.0018","90","","90","","90","","4222.2","0.5","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-dichloro-2,2,4,4,3'-pentamethyl-r-2',t-4'-diphenylcyclobutane-1-spiro-5'- 1,3-thiazolidine","","- C23 H27 Cl2 N S -","- C23 H27 Cl2 N S -","- C184 H216 Cl16 N8 S8 -","8","1","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0326","","","","0.0802","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014224","6.905","0.003","13.116","0.005","18.969","0.011","90","","90","","90","","1717.9","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","p-nitrophenyl sufate potassium salt","potassium p-nitrophenyl sulfate","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","SK1726","Sierosławski, Krzysztof; Popek, Tomasz; Lis, Tadeusz","Potassium <i>p</i>-nitrophenyl sulfate","Acta Crystallographica Section C","2004","60","7","m327","m329","10.1107/S0108270104010984","","","0.71073","MoKα","","0.0696","0.0364","","","0.0772","0.0848","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014256","9.777","0.002","8.232","0.002","20.089","0.005","90","","90","","90","","1616.8","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-iodoacetophenone polymorph B","","- C8 H7 I O -","- C8 H7 I O -","- C64 H56 I8 O8 -","8","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.049","0.026","","","0.059","0.07","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014355","13.2379","0.0007","7.8883","0.0004","29.4118","0.0017","90","","90","","90","","3071.3","0.3","114","2","114","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine","","- C15 H20 I N3 -","- C15 H20 I N3 -","- C120 H160 I8 N24 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0661","0.0362","","","0.0708","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014361","9.4653","0.0003","14.6974","0.0004","25.389","0.0009","90","","90","","90","","3532","0.19","213.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.077","","","","0.1761","","","","","","1.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014363","6.75","0.001","19.893","0.002","20.585","0.002","90","","90","","90","","2764.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C88 H112 Cl8 N40 Ni8 O8 -","8","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0388","0.0295","","","0.0694","0.0738","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014374","18.12","0.004","11.317","0.002","19.777","0.004","90","","90","","90","","4055.6","1.4","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","","- C22 H27 Cu N3 O2 -","- C22 H27 Cu N3 O2 -","- C176 H216 Cu8 N24 O16 -","8","1","LN3001","Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","Acta Crystallographica Section C","2006","62","3","m87","m89","10.1107/S0108270105043258","","","0.71073","MoKα","","0.0736","0.0465","","","0.0896","0.0973","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014380","10.333","0.002","28.914","0.005","41.642","0.008","90","","90","","90","","12441","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B3 N3 O6 -","- C45 H108 B9 N9 O18 -","- C360 H864 B72 N72 O144 -","8","1","SF1024","Gainsford, Graeme J.; Al-Salim, Najeh","Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound","Acta Crystallographica Section C","2006","62","2","o65","o67","10.1107/S0108270105041089","","","0.71073","MoKα","","0.1858","0.0695","","","0.1123","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014394","11.2405","0.0002","18.8738","0.0003","21.0529","0.0003","90","","90","","90","","4466.39","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione","","- C26 H18 Cl3 N O2 -","- C26 H18 Cl3 N O2 -","- C208 H144 Cl24 N8 O16 -","8","1","SK1891","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","1","o39","o41","10.1107/S0108270105039193","","","0.71073","MoKα","","0.0624","0.0421","","","0.1036","0.1156","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014448","9.8044","0.0007","21.3628","0.0013","29.2053","0.0015","90","","90","","90","","6117","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene","","- C30 H25 Cl N3 O5 P3 -","- C30 H25 Cl N3 O5 P3 -","- C240 H200 Cl8 N24 O40 P24 -","8","1","DN1053","Sopková-de Oliveira Santos, Jana; Bauchart, Diane; Besset, Celine; Dez, Isabelle","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene: a precursor of functionalized cyclophosphazene derivatives","Acta Crystallographica Section C","2004","60","10","o751","o753","10.1107/S0108270104018190","","","0.71073","MoKα","","0.123","0.0512","","","0.1251","0.1534","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014454","14.9903","0.0017","15.3555","0.0018","21.022","0.003","90","","90","","90","","4838.9","1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido-κN^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate","","- C26 H16 Cl Cu N7 O4 -","- C26 H16 Cl Cu N7 O4 -","- C208 H128 Cl8 Cu8 N56 O32 -","8","1","FA1074","Burčák, Milan; Potočňák, Ivan; Baran, Peter; Jäger, Lothar","Low-dimensional compounds containing cyano groups. X. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","Acta Crystallographica Section C","2004","60","12","m601","m604","10.1107/S0108270104018244","","","0.71073","MoKα","","0.1348","0.0569","","","0.131","0.1691","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014458","19.5886","0.0014","13.8924","0.0009","8.3714","0.0003","90","","90","","90","","2278.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(1-methylpyrrol-2-yl)methylidene]-2,3-dihydro-1H-isoindol-2-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","FA1085","Bonnett, Raymond; Motevalli, Majid; Swanson,Fiona J.; Vallés, María Asunción","11-Methyl-2,3-benzodipyrrin-1-one","Acta Crystallographica Section C","2004","60","12","o890","o892","10.1107/S0108270104026708","","","0.71073","MoKα","","0.1171","0.0542","","","0.1093","0.1301","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014488","14.18","0.002","16.076","0.002","18.413","0.002","90","","90","","90","","4197.4","0.9","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-1,9-diphenyl-4-p-tolyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one","","- C24 H18 Br N3 O2 -","- C24 H18 Br N3 O2 -","- C192 H144 Br8 N24 O16 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0531","","","","0.1051","","","","","","1.004","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014513","9.0727","0.0004","12.9327","0.0005","19.0201","0.0008","90","","90","","90","","2231.71","0.16","298","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","","- C6 H14 Cr2 N2 O7 -","- C6 H14 Cr2 N2 O7 -","- C48 H112 Cr16 N16 O56 -","8","1","NA1676","Jin, Zhi-Min; Li, Li; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","Acta Crystallographica Section C","2004","60","11","m572","m574","10.1107/S010827010402342X","","","0.71073","MoKα","","0.0306","0.0288","","","0.08","0.0814","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014524","14.3665","0.001","17.1608","0.0018","19.762","0.003","90","","90","","90","","4872.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-[Bis(N-2-oxyphenylsalicylydene)]propane","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C232 H208 N16 O32 -","8","1","OB1202","Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Özgüç, Bilgehan; Kılıç, Zeynel","1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane","Acta Crystallographica Section C","2004","60","11","o803","o805","10.1107/S0108270104022565","","","1.5418","CuKα","","0.0804","0.0445","","","0.1172","0.1356","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014525","13.785","0.011","8.554","0.007","34.74","0.03","90","","90","","90","","4096","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C184 H168 Cl8 N16 O8 S8 -","8","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.1156","0.0597","","","0.1155","0.1358","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014529","14.8737","0.0002","14.3865","0.0002","17.6287","0.0003","90","","90","","90","","3772.2","0.1","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N2 O5 -","- C20 H21 Cl N2 O5 -","- C160 H168 Cl8 N16 O40 -","8","1","","Linden, Anthony; Şafak, Cihat; Aydın, Fırat","Methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o711","o713","10.1107/s0108270104019468","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014549","8.2208","0.0002","13.0786","0.0004","13.9233","0.0004","90","","90","","90","","1496.99","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C64 H32 N16 O32 -","8","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0455","0.0392","","","0.0959","0.0989","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014588","9.554","0.0005","15.4561","0.0011","18.4412","0.0009","90","","90","","90","","2723.2","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chloro(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-1,3- imidazolato-κ^2^N:N']","","- C15 H11 Cl Cu N4 -","- C15 H11 Cl Cu N4 -","- C120 H88 Cl8 Cu8 N32 -","8","1","TA1475","Hu, Mao-Lin; Cai, Xiao-Qing; Shi, Qian; Cheng, Ya-Qian","<i>catena</i>-Poly[[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-imidazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m575","m577","10.1107/S010827010402311X","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0737","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014627","12.781","0.0019","6.986","0.001","35.454","0.005","90","","90","","90","","3165.6","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-bromoanilinium 5-sulfosalicylate monohydrate","4-bromoanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 Br N O7 S -","- C13 H14 Br N O7 S -","- C104 H112 Br8 N8 O56 S8 -","8","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0497","0.0382","","","0.1068","0.1121","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014631","8.4792","0.0013","9.6152","0.0015","26.864","0.004","90","","90","","90","","2190.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0979","0.0662","","","0.1531","0.1988","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014735","7.9669","0.0005","17.267","0.0011","13.6223","0.0009","90","","90","","90","","1873.9","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C64 H96 N32 O24 -","8","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0889","0.0464","","","0.1157","0.1287","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014749","18.2168","0.0004","7.5623","0.0002","22.1355","0.0005","90","","90","","90","","3049.41","0.13","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","fenofibric acid","2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","1","SQ1185","Rath, Nigam P.; Haq, Wahajul; Balendiran, Ganesaratnam K.","Fenofibric acid","Acta Crystallographica Section C","2005","61","2","o81","o84","10.1107/S0108270104032573","","","0.71073","MoKα","","0.0485","0.0416","","","0.0957","0.0991","","","","","","1.114","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014752","7.8896","0.0006","12.7281","0.001","21.8425","0.0018","90","","90","","90","","2193.4","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,7-bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.0^1.5^]undecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.092","0.053","","","0.117","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014776","11.0511","0.0012","14.1558","0.0012","15.2486","0.0011","90","","90","","90","","2385.4","0.4","122","1","122","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","nitridobis(2-sulfidopyridine N-oxide)chromium(V)","","- C10 H8 Cr N3 O2 S2 -","- C10 H8 Cr N3 O2 S2 -","- C80 H64 Cr8 N24 O16 S16 -","8","1","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.0348","0.0253","","","0.0648","0.0736","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014777","7.2505","0.0007","16.3379","0.001","26.4894","0.0017","90","","90","","90","","3137.9","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-1,4-benzoquinone monooxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C128 H144 N16 O32 -","16","2","BM1603","Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan","2,6-Dimethyl-1,4-benzoquinone 4-monooxime","Acta Crystallographica Section C","2005","61","4","o240","o242","10.1107/S0108270105005500","","","0.71073","MoKα","","0.0895","0.0481","","","0.1266","0.1425","","","","","","0.872","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014798","9.1229","0.0003","12.098","0.0005","32.8793","0.0012","90","","90","","90","","3628.9","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-Co(en)2(N3)2 picrate","cis-diazidobis(ethylenediamine-κ^2^N,N')cobalt(III) picrate","","- C10 H18 Co N13 O7 -","- C10 H18 Co N13 O7 -","- C80 H144 Co8 N104 O56 -","8","1","FA1132","Sharma, Raj Pal; Sharma, Rajni; Bala, Ritu; Bond, Andrew D.","Second-sphere coordination in anion binding: <i>cis</i>-diazidobis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) picrate","Acta Crystallographica Section C","2005","61","6","m272","m274","10.1107/S0108270105011960","","","0.71073","MoKα","","0.0503","0.0423","","","0.1111","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014811","10.1041","0.0004","7.221","0.0003","17.8026","0.0007","90","","90","","90","","1298.91","0.09","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-2,5-dihydrothiophene 1-oxide","","- C4 H4 Cl2 O S -","- C4 H4 Cl2 O S -","- C32 H32 Cl16 O8 S8 -","8","1","FR1507","Pett, Virginia B.; Haynes, LeRoy W.","2,5-Dichloro-2,5-dihydrothiophene 1-oxide: determinaton of the complete stereochemistry","Acta Crystallographica Section C","2005","61","4","o211","o212","10.1107/S0108270105004257","","","0.71073","MoKα","","0.0358","0.0315","","","0.0839","0.0894","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014814","9.885","0.003","8.867","0.002","17.092","0.004","90","","90","","90","","1498.1","0.7","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H16 Cl2 Cu N8 -","- C8 H16 Cl2 Cu N8 -","- C32 H64 Cl8 Cu4 N32 -","4","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0434","0.0408","","","0.1223","0.1243","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014848","8.326","0.005","13.588","0.005","12.401","0.005","90","0.005","90","0.005","90","0.005","1403","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)butane","","- C12 H20 N6 O2 -","- C12 H20 N6 O2 -","- C48 H80 N24 O8 -","4","0.5","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0663","0.0333","","","0.0662","0.0715","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014890","8.3566","0.0012","14.246","0.002","14.779","0.002","90","","90","","90","","1759.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-bis(4-bromobutyl)-2,2'-bipyridine","","- C18 H22 Br2 N2 -","- C18 H22 Br2 N2 -","- C72 H88 Br8 N8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0609","0.0369","","","0.0827","0.0907","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014916","7.6223","0.0002","16.7937","0.0007","24.49","0.0009","90","","90","","90","","3134.88","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C168 H136 N24 -","8","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0857","0.0491","","","0.107","0.1209","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014941","19.37","0.01","29.796","0.007","9.91","0.003","90","","90","","90","","5720","4","298","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H54 Cl6 Cu N6 O4 -","- C60 H54 Cl6 Cu N6 O4 -","- C240 H216 Cl24 Cu4 N24 O16 -","4","0.5","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0499","","","","0.1633","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015021","22.751","0.009","14.016","0.006","13.36","0.01","90","","90","","90","","4260","4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[N,N'-bis(5-methoxysalicylidene)ethylenediaminato- κ^4^O,N,N',O']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0889","0.0559","","","0.1518","0.1738","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015072","10.9576","0.0005","16.8316","0.001","30.2015","0.0017","90","","90","","90","","5570.2","0.5","294","1","294","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-dimethylsulfido-3-iodo-3-triphenylphosphine-closo-3-pallada- 1,2-dicarbadodecaborane","","- C22 H31 B9 I P Pd S -","- C22 H31 B9 I P Pd S -","- C176 H248 B72 I8 P8 Pd8 S8 -","8","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.1083","0.0367","","","0.1112","0.1621","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015113","12.028","0.002","7.428","0.0015","22.062","0.004","90","","90","","90","","1971.1","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","","- C9 H8 O6 Sr -","- C9 H8 O6 Sr -","- C72 H64 O48 Sr8 -","8","1","BG1021","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","Acta Crystallographica Section C","2005","61","12","m523","m525","10.1107/S0108270105034554","","","0.71073","MoKα","","0.0409","0.0285","","","0.0585","0.0625","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015145","7.924","0.001","13.578","0.002","25.003","0.003","90","","90","","90","","2690.1","0.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]- μ-chloro]","","- C13 H10 Br Cl N2 O Zn -","- C13 H10 Br Cl N2 O Zn -","- C104 H80 Br8 Cl8 N16 O8 Zn8 -","8","1","GA1109","You, Zhong-Lu","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","10","m456","m458","10.1107/S010827010502932X","","","0.71073","MoKα","","0.1133","0.0561","","","0.1091","0.128","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015230","8.484","0.002","11.5018","0.0018","23.992","0.01","90","","90","","90","","2341.2","1.2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclooctanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.7]dodecane-2,4-dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.1007","0.0571","","","0.1463","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015233","9.595","0.002","8.267","0.002","26.35","0.005","90","","90","","90","","2090.1","0.8","295","2","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene","","- C20 H28 O4 S2 -","- C20 H28 O4 S2 -","- C80 H112 O16 S8 -","4","0.5","FA1181","Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene","Acta Crystallographica Section C","2006","62","4","o155","o156","10.1107/S0108270106004999","","","0.71073","MoKα","","0.1014","0.0355","","","0.0897","0.1045","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015294","15.0522","0.001","29.721","0.002","15.3753","0.001","90","","90","","90","","6878.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","racemic cis-(2,2'-bipyridyl-κ^2^N,N')oxo(pentane-2,4-dionato- κ^2^O,O')(thiocyanato-κN)vanadium(IV)","","- C16 H15 N3 O3 S V -","- C16 H15 N3 O3 S V -","- C256 H240 N48 O48 S16 V16 -","16","2","FA3005","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in racemic <i>cis</i>-(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')oxo(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section C","2006","62","5","m177","m179","10.1107/S0108270106008158","","","0.71073","MoKα","","0.0806","0.0526","","","0.1237","0.135","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015296","9.0592","0.0004","10.3156","0.0005","25.0534","0.0012","90","","90","","90","","2341.27","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","10,11-dihydrocarbamazepine","10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","1","FG3005","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.","An orthorhombic polymorph of 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2006","62","5","o240","o242","10.1107/S0108270106008651","","","0.71073","MoKα","","0.0496","0.0416","","","0.1041","0.1084","","","","","","1.085","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015298","20.777","0.003","8.4689","0.0011","33.55","0.005","90","","90","","90","","5903.4","1.4","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo- iodoplumbate(II)-di-μ-iodo]]","","- C36 H56 I10 N4 Pb3 -","- C36 H56 I10 N4 Pb3 -","- C144 H224 I40 N16 Pb12 -","4","0.5","FG3008","Billing, David G.; Lemmerer, Andreas","<i>catena</i>-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo-iodoplumbate(II)-di-μ-iodo]]","Acta Crystallographica Section C","2006","62","5","m174","m176","10.1107/S0108270106009127","","","0.71073","MoKα","","","0.0494","","","","0.0938","","","","","","1.138","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015332","7.378","0.003","23.875","0.006","23.984","0.006","90","","90","","90","","4225","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.1301","0.0748","","","0.1317","0.1479","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015360","9.943","0.002","6.4899","0.0018","18.33","0.004","90","","90","","90","","1182.8","0.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[[μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]dicopper(I)]-di-μ-chloro]","","- C4 H6 Cl2 Cu2 N10 -","- C4 H6 Cl2 Cu2 N10 -","- C16 H24 Cl8 Cu8 N40 -","4","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0435","0.0373","","","0.0894","0.0933","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015494","15.2964","0.0003","17.4366","0.0002","16.832","0.0003","90","","90","","90","","4489.38","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","1","GG3030","Trilleras, Jorge; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o518","o520","10.1107/S0108270106025583","","","0.71073","MoKα","","0.0972","0.0488","","","0.1129","0.1361","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015495","12.8995","0.0006","6.8681","0.0003","26.6419","0.0013","90","","90","","90","","2360.34","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2005rm01ch01","β-Lapachone","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","GZ3007","Cunha-Filho, Marcilio S. S; Landin, Mariana; Martinez-Pacheco, Ramon; Dacunha-Marinho, Bruno","β-Lapachone","Acta Crystallographica Section C","2006","62","8","o473","o475","10.1107/S0108270106021706","","","1.5418","CuKα","","0.0619","0.061","","","0.1691","0.1703","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015498","8.1427","0.0005","18.3212","0.0014","27.303","0.003","90","","90","","90","","4073.2","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2)","","- C44 H46 Cl4 N2 Ru2 -","- C44 H46 Cl4 N2 Ru2 -","- C176 H184 Cl16 N8 Ru8 -","4","0.5","HJ3009","Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan","A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings","Acta Crystallographica Section C","2006","62","8","m346","m348","10.1107/S0108270106020543","","","0.71073","MoKα","","0.0551","0.0314","","","0.0679","0.0725","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015518","6.971","0.001","17.508","0.001","26.905","0.002","90","","90","","90","","3283.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C144 H128 Cl8 N24 O8 -","8","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0637","0.048","","","0.1159","0.1259","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015567","10.146","0.0002","7.3091","0.0002","25.1662","0.0007","90","","90","","90","","1866.28","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-dimethyamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.0478","0.033","","0.0467","","0.0371","","","","","","1.1689","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015594","13.8","0.003","14.984","0.003","18.283","0.004","90","","90","","90","","3780.5","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","","- C32 H40 Br6 Fe2 N2 O -","- C32 H40 Br6 Fe2 N2 O -","- C128 H160 Br24 Fe8 N8 O4 -","4","0.5","FA3029","Busi, Sara; Lahtinen, Manu; Sillanpää, Reijo; Rissanen, Kari","A linear Fe‒O‒Fe unit in bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","Acta Crystallographica Section C","2006","62","10","m458","m460","10.1107/S0108270106033208","","","0.71073","MoKα","","0.0847","0.0491","","","0.0963","0.1103","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015736","17.3748","0.0005","14.3919","0.0004","18.3124","0.0005","90","","90","","90","","4579.1","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloro{diethoxy[2-(diphenylphosphino)phenyl]methane]methylpalladium(II)","","- C24 H28 Cl O2 P Pd -","- C24 H28 Cl O2 P Pd -","- C192 H224 Cl8 O16 P8 Pd8 -","8","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.0267","0.0201","","","0.0499","0.0557","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015763","13.3271","0.0005","12.7054","0.0005","15.7748","0.0006","90","","90","","90","","2671.09","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","SK3078","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K: sheets built from O—H···O, O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o42","o44","10.1107/S0108270106050451","","","0.71073","MoKα","","0.0937","0.0532","","","0.1295","0.1552","","","","","","1.137","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015808","7.6217","0.0006","15.8538","0.0013","16.3696","0.0012","90","","90","","90","","1978","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mesitylnitramine","2,4,6-trimethyl-N-nitroaniline","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","1","HJ3024","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,4,6-Trimethyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2007","63","2","o126","o128","10.1107/S0108270106055776","","","0.71073","MoKα","","0.1296","0.0462","","","0.1107","0.1417","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015818","7.6865","0.0003","11.0294","0.0008","26.8912","0.0013","90","","90","","90","","2279.8","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","P,P'-di[3-(trimethylsilyl)-1-propyl] ethylenebisphosphonic acid","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate","","- C14 H36 O6 P2 Si2 -","- C14 H36 O6 P2 Si2 -","- C56 H144 O24 P8 Si8 -","4","0.5","SQ3056","McLauchlan, Craig C.; Ziegler, Amanda J.; Sosnowski, Cyndi R.; Herlinger, Albert W.","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate, H~2~DTMSP[EBP]","Acta Crystallographica Section C","2007","63","2","o132","o134","10.1107/S0108270106055818","","","0.71073","MoKα","","0.0449","0.0327","","","0.0801","0.0869","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015903","9.5433","0.0002","9.1416","0.0002","21.8652","0.0004","90","","90","","90","","1907.54","0.07","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","metamitron","4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","GG3068","Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana","4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron)","Acta Crystallographica Section C","2007","63","4","o259","o262","10.1107/S0108270107009596","","","0.71069","MoKα","","0.0486","0.0388","","","0.0947","0.0993","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016040","11.882","0.007","15.518","0.005","20.637","0.008","90","","90","","90","","3805","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[aquabis(μ~2~-isonicotinato-κ^3^N:O,O')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","","- C18 H15 Cd N4 O5 -","- C72 H60 Cd4 N16 O20 -","- C144 H120 Cd8 N32 O40 -","2","0.25","GD3116","Juan Granifo; Ricardo Baggio","Poly[[aquabis(μ~2~-isonicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","Acta Crystallographica Section C","2007","63","7","m327","m330","10.1107/S0108270107026698","","","0.71073","MoKα","","0.1573","0.0571","","","0.1446","0.1861","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016075","10.5281","0.001","7.4585","0.0011","16.341","0.002","90","","90","","90","","1283.2","0.3","100","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-nitro-5-bromo-1H-imidazole","","- C4 H4 Br N3 O2 -","- C4 H4 Br N3 O2 -","- C32 H32 Br8 N24 O16 -","8","1","AV3095","Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej","Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles","Acta Crystallographica Section C","2007","63","8","o445","o447","10.1107/S0108270107028922","","","0.71073","MoKα","","0.0611","0.0497","","","0.1289","0.1392","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016113","10.61","0.0003","12.1878","0.0004","20.522","0.002","90","","90","","90","","2653.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(2,4-dinitrophenylhydrazono)butanoate","","- C11 H12 N4 O6 -","- C11 H12 N4 O6 -","- C88 H96 N32 O48 -","8","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0655","0.0443","","","0.1053","0.1158","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016139","9.121","0.007","8.714","0.006","13.18","0.009","90","","90","","90","","1047.6","1.3","200","2","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium tetrafluoridoborate","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","FA3102","Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris","Strontium tetrafluoridoborate and barium tetrafluoridoborate","Acta Crystallographica Section C","2007","63","9","i75","i76","10.1107/S0108270107036864","","","0.71069","MoKα","","0.0498","0.046","","","0.1487","0.153","","","","","","1.086","","","","has coordinates,has Fobs","282533","2023-04-10","15:17:41",""
"2016198","6.3357","0.0009","15.523","0.0002","25.3654","0.0006","90","","90","","90","","2494.7","0.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-methoxy-3,3-dimethyl-3H-benzo[f]chromene","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","GG3118","Silva, Fernando de C. da; Wardell, James L.; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","π-Stacked dimers in 6-methoxy-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene, and centrosymmetric dimers containing C—H···π(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2<i>H</i>,6<i>H</i>-1,5-dioxatriphenylene","Acta Crystallographica Section C","2007","63","10","o568","o571","10.1107/S0108270107039194","","","0.71073","MoKα","","0.065","0.0397","","","0.0983","0.1079","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016215","21.347","0.004","14.852","0.003","25.087","0.005","90","","90","","90","","7954","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Aqua-2κO-μ-{N,N'-bis[2-(dimethylamino)ethyl]oxamidato(2-)}- 1κ^2^O,O':2κ^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^N,N')- copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C276 H320 Cl16 Cu8 N64 Ni8 O92 -","8","1","SF3053","Sun, Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Liu, Jin-Liang","Aqua-2κ<i>O</i>-μ-{<i>N</i>,<i>N</i>'-bis[2-(dimethylamino)ethyl]oxamidato(2‒)}-1κ^2^<i>O</i>,<i>O</i>':2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","Acta Crystallographica Section C","2007","63","10","m462","m464","10.1107/S0108270107042643","","","0.71073","MoKα","","0.0991","0.0503","","","0.1345","0.1855","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","194546","2020-10-21","18:00:00",""
"2016235","9.717","0.002","10.575","0.003","33.772","0.008","90","","90","","90","","3470.3","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-trichloro-N,N'-bis(4-methoxyphenyl)ethane-1,1-diamine","","- C16 H17 Cl3 N2 O2 -","- C16 H17 Cl3 N2 O2 -","- C128 H136 Cl24 N16 O16 -","8","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0612","0.0459","","","0.1005","0.1089","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016269","17.5731","0.0014","9.651","0.0008","22.7965","0.0019","90","","90","","90","","3866.2","0.5","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[4-(4-acetanilido-trans-1,3-butadienyl)-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene]propanedinitrile","2-{4-[4-(N-Formylanilino)-trans-1,3-butadienyl]-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene}propanedinitrile","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C176 H144 N32 O16 -","8","1","JZ3086","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. I. Standard parameters in two precursors","Acta Crystallographica Section C","2007","63","11","o633","o637","10.1107/S0108270107046033","","","0.71073","MoKα","","0.1147","0.0471","","","0.0882","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016310","12.9325","0.0017","6.7317","0.0009","17.018","0.002","90","","90","","90","","1481.5","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[diaquamanganese(II)]-μ~3~-2-oxo-4-oxido-1,2-dihydropyrimidine- 5-carboxylato-κ^4^O^4^,O^5^:O^2^:O^2^]","","- C5 H6 Mn N2 O6 -","- C5 H6 Mn N2 O6 -","- C40 H48 Mn8 N16 O48 -","8","1","DN3069","Chen, Zilu; Xing, Huihui; Liang, Fupei","Poly[[diaquamanganese(II)]-μ~3~-4-oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^4^<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^2^:<i>O</i>^2^]","Acta Crystallographica Section C","2007","63","12","m576","m578","10.1107/S0108270107053875","","","0.71073","MoKα","","0.0301","0.0239","","","0.059","0.0625","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016346","7.6402","0.0015","11.775","0.002","26.927","0.005","90","","90","","90","","2422.4","0.8","153","2","153","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","[2.2.2](1,2,4)cyclophan-9-ene","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","1","LN3070","Broschinski, Klaus; Kannan, Arunachalam; Jones, Peter G.; Dix, Ina; Hopf, Henning","The `cyclophene' [2.2.2](1,2,4)cyclophan-9-ene","Acta Crystallographica Section C","2007","63","12","o711","o713","10.1107/S0108270107050937","","","0.71073","MoKα","","0.091","0.0543","","","0.1282","0.1501","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016349","7.6382","0.0007","14.9272","0.0015","40.857","0.004","90","","90","","90","","4658.4","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyl N,N-bis[2-(pentafluoroanilino)ethyl]carbamate","","- C24 H17 F10 N3 O2 -","- C24 H17 F10 N3 O2 -","- C192 H136 F80 N24 O16 -","8","1","SF3060","Churakov, Andrei V.; Karlov, Sergey S.; Lermontova, Elmira Kh.; Zaitseva, Galina S.; Howard, Judith A. K.","Benzyl <i>N</i>,<i>N</i>-bis[2-(pentafluoroanilino)ethyl]carbamate","Acta Crystallographica Section C","2007","63","12","o761","o762","10.1107/S0108270107057939","","","0.71073","MoKα","","0.0722","0.0481","","","0.0947","0.1021","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016365","17.2484","0.0002","18.0383","0.0003","18.7816","0.0003","90","","90","","90","","5843.55","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^6^N:S;κ^2^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate","","- C29 H18 Cl2 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","- C224 H128 N32 Pd16 S64 -","8","1","TR3019","Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni","Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~","Acta Crystallographica Section C","2007","63","12","m601","m603","10.1107/S0108270107052353","","","0.71073","MoKα","","0.047","0.0363","","","0.0882","0.0952","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016430","10.8828","0.0002","11.4746","0.0002","20.9073","0.0004","90","","90","","90","","2610.82","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2,2,2-trinitroethyl)carbonate","bis(2,2,2-trinitroethyl) carbonate","","- C5 H4 N6 O15 -","- C5 H4 N6 O15 -","- C40 H32 N48 O120 -","8","1","GD3179","Göbel, Michael; Thomas M. Klapötke","Exceeding the oxygen content of liquid oxygen: bis(2,2,2-trinitroethyl) carbonate","Acta Crystallographica Section C","2008","64","2","o58","o60","10.1107/S0108270107066632","","","0.71073","MoKα","","0.0445","0.0272","","","0.0617","0.0681","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016436","10.3214","0.0016","16.474","0.002","23.812","0.002","90","","90","","90","","4048.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[μ-6,6'-dimethoxy-2,2'-[propane-1,2-\ diylbis(iminomethylene)]diphenolato]bis[aquacopper(II)] dihydrate","","- C38 H56 Cu2 N4 O12 -","- C38 H56 Cu2 N4 O12 -","- C152 H224 Cu8 N16 O48 -","4","0.5","HJ3052","Liu, Y.-F.; Xia, H.-T.; Yang, Shu-Ping; Wang, Da-Qi","Bis{μ-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(iminomethylene)]diphenolato}bis[aquacopper(II)] dihydrate","Acta Crystallographica Section C","2008","64","2","m91","m93","10.1107/S0108270107049311","","","0.71073","MoKα","","0.0817","0.0421","","","0.0957","0.1176","","","","","","1.004","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2016471","12.46443","0.00001","11.02991","0.00007","21.60929","0.00004","90","","90","","90","","2970.88","0.02","110","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","","- C13 H18 N4 O3 S -","- C13 H18 N4 O3 S -","- C104 H144 N32 O24 S8 -","8","1","TR3035","Lutz, Martin; Spek, Anthony L.; Geer, Erwin P. L. van der; Koten, Gerard van; Klein Gebbink, Robertus J. M.","Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","Acta Crystallographica Section C","2008","64","2","o87","o90","10.1107/S0108270108000668","","","0.71073","MoKα","","0.0381","0.0195","","","","0.0107","","","","","","2.0292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016498","14.0965","0.0015","6.7602","0.0007","43.091","0.005","90","","90","","90","","4106.4","0.8","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(phenylazo)anilinium hydrogen 5-nitroisophthalate monohydrate","4-(phenyldiazenyl)anilinium 3-carboxy-5-nitrobenzoate monohydrate","","- C20 H18 N4 O7 -","- C20 H18 N4 O7 -","- C160 H144 N32 O56 -","8","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.106","0.0846","","","0.204","0.2109","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016500","8.9779","0.0001","11.4442","0.0002","15.0673","0.0003","90","","90","","90","","1548.09","0.04","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","calcium pentamolybdenum titanium decaoxide","","- Ca Mo5.38 O10 Ti0.62 -","- Ca Mo5.382 O10 Ti0.618 -","- Ca8 Mo43.056 O80 Ti4.944 -","8","1","IZ3044","Gougeon, P.; Gall, P.","The disordered cluster compound CaMo~5~(Mo~0.38~Ti~0.62~)O~10~","Acta Crystallographica Section C","2008","64","3","i30","i32","10.1107/S0108270108002989","","","0.71069","MoKα","","0.0675","0.0354","","","0.0496","0.0568","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016518","10.1632","0.0007","23.6753","0.0016","34.339","0.002","90","","90","","90","","8262.5","0.9","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(trans-2-phenylethenyl) sulfone","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C384 H336 O48 S24 -","24","3","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0954","0.0507","","","0.1188","0.1353","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016565","16.8649","0.0008","16.5864","0.0009","7.4838","0.0004","90","","90","","90","","2093.43","0.19","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]","","- C7 H10 Ag N3 O3 -","- C7 H10 Ag N3 O3 -","- C56 H80 Ag8 N24 O24 -","8","1","SK3191","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]: a powder study","Acta Crystallographica Section C","2008","64","4","m170","m172","10.1107/S0108270108005143","","","1.5406","CuKα1","","0.0252","0.0251","","","0.0164","0.0164","","","1.27","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016567","9.7056","0.0019","8.6794","0.0017","17.89","0.004","90","","90","","90","","1507","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","δ-Sulfanilamide","4-aminobenzenesulfonamide","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","SK3211","Gelbrich, Thomas; Bingham, Ann L.; Threlfall, Terence L.; Hursthouse, Michael B.","δ-Sulfanilamide","Acta Crystallographica Section C","2008","64","4","o205","o207","10.1107/S0108270108005696","","","0.71073","MoKα","","0.0666","0.0415","","","0.097","0.106","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016579","17.536","0.005","8.016","0.002","22.814","0.008","90","","90","","90","","3206.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato- κ^2^N,O]bis(methanol-κO)nickel(II)","","- C34 H34 N4 Ni O6 -","- C34 H34 N4 Ni O6 -","- C136 H136 N16 Ni4 O24 -","4","0.5","BM3048","Xue, Mei-Xiang; Liu, Shi-Xiong","Bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(methanol-κ<i>O</i>)nickel(II) and bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2008","64","5","m190","m193","10.1107/S0108270108006240","","","0.71073","MoKα","","0.051","0.0354","","","0.0933","0.1019","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016597","7.435","0.002","16.006","0.006","22.061","0.007","90","","90","","90","","2625.4","1.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C104 H88 Cl8 N16 O24 S8 -","8","1","HJ3069","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","5","o286","o289","10.1107/S0108270108009530","","","0.71073","MoKα","","0.0833","0.0449","","","0.1024","0.1218","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016643","18.326","0.003","10.3875","0.0014","8.2618","0.0012","90","","90","","90","","1572.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-phenyl-1-pyrroline","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole","","- C10 H11 N -","- C10 H11 N -","- C80 H88 N8 -","8","1","HJ3072","Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole: the first example of a planar monosubstituted 1-pyrroline","Acta Crystallographica Section C","2008","64","6","o303","o305","10.1107/S0108270108011360","","","0.71073","MoKα","","0.0531","0.0422","","","0.1128","0.1202","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016660","14.8903","0.0013","13.9907","0.0012","17.1961","0.0015","90","","90","","90","","3582.4","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(4-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(4,5-diazafluorene-9- one-κ^2^N,N')copper(II)","","- C42 H28 Cu N6 O8 S2 -","- C42 H28 Cu N6 O8 S2 -","- C168 H112 Cu4 N24 O32 S8 -","4","0.5","BG3074","Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun","Two novel mixed-ligand complexes containing organosulfonate ligands","Acta Crystallographica Section C","2008","64","7","m250","m253","10.1107/S0108270108016041","","","0.71073","MoKα","","0.0457","0.0332","","","0.0896","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016684","10.2295","0.0002","8.0212","0.0001","32.1141","0.0005","90","","90","","90","","2635.05","0.07","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0621","0.0458","","","0.1276","0.1436","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016685","10.044","0.0011","7.899","0.0008","32.011","0.003","90","","90","","90","","2539.7","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0466","0.0384","","","0.0986","0.1026","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016686","10.0654","0.0005","7.9069","0.0004","31.9971","0.0017","90","","90","","90","","2546.5","0.2","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0436","0.0377","","","0.0915","0.0937","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016687","10.0248","0.001","7.8879","0.0008","32.162","0.003","90","","90","","90","","2543.2","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0368","0.0323","","","0.0826","0.0851","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016703","17.0144","0.0008","18.2738","0.0009","17.1713","0.0009","90","","90","","90","","5338.9","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cyclo-bis[μ~2~-bis(diphenylphosphino)amine]di-μ~3~-sulfanido-di-μ~2~- sulfanido-tetracopper(I) methanol disolvate","","- C50 H54 Cu4 N2 O2 P4 S4 -","- C50 H50 Cu4 N2 O2 P4 S4 -","- C200 H200 Cu16 N8 O8 P16 S16 -","4","0.5","EM3015","Zhao, Wen-Na; Han, Lei; Luo, Cheng-Cai","A novel tetranuclear copper(I) sulfanide complex with bis(diphenylphosphino)amine","Acta Crystallographica Section C","2008","64","8","m280","m282","10.1107/S0108270108018404","","","0.71073","MoKα","","0.148","0.0864","","","0.1495","0.1742","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016799","11.6394","0.0015","11.5736","0.0015","30.782","0.004","90","","90","","90","","4146.6","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","FA3167","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione: molecular conformation and supramolecular aggregation in xanthenediones","Acta Crystallographica Section C","2008","64","10","o554","o557","10.1107/S0108270108029181","","","0.71073","MoKα","","0.1215","0.0531","","","0.1185","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016843","12.9699","0.0004","15.2714","0.0005","16.6176","0.0006","90","","90","","90","","3291.42","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3- dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C136 H128 N16 O32 S8 -","8","1","SF3092","Karczmarzyk, Zbigniew","Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","Acta Crystallographica Section C","2008","64","11","o590","o594","10.1107/S010827010803206X","","","0.71073","MoKα","","0.0454","0.0386","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016848","8.993","0.004","13.882","0.009","16.506","0.004","90","","90","","90","","2060.6","1.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Diiodo-4,5-dimethoxybenzene","","- C8 H8 I2 O2 -","- C8 H8 I2 O2 -","- C64 H64 I16 O16 -","8","1","UK3001","Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo","Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene","Acta Crystallographica Section C","2008","64","11","o604","o608","10.1107/S010827010803309X","","","0.71073","MoKα","","0.0752","0.0419","","","0.1029","0.1083","","","","","","1.411","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016850","11.953","0.002","11.146","0.002","13.914","0.003","90","","90","","90","","1853.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-pyridone","","- C5 H5 N O -","- C5 H5 N O -","- C80 H80 N16 O16 -","16","2","AV3155","Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim","Two polymorphs of anhydrous 4-pyridone at 100K","Acta Crystallographica Section C","2008","64","12","o661","o664","10.1107/S0108270108033660","","","0.71073","MoKα","","0.0462","0.0372","","","0.1043","0.111","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016883","13.577","0.0017","17.476","0.003","26.67","0.003","90","","90","","90","","6328","1.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-7-(3,4,5-trimethoxybenzyl)- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione ethanol 0.67-solvate","","- C34.34 H45.02 N3 O5.67 -","- C34.34 H45.02 N3 O5.67 -","- C274.72 H360.16 N24 O45.36 -","8","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.13","0.0866","","","0.1877","0.2056","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016887","9.3198","0.0004","10.3218","0.0003","26.2663","0.001","90","","90","","90","","2526.74","0.16","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorpropamide, δ-form","4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","1","TR3050","Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.","Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form","Acta Crystallographica Section C","2008","64","12","o623","o625","10.1107/S0108270108034550","","","1.5418","CuKα","","0.0984","0.0615","","","0.1499","0.1692","","","","","","0.925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016898","12.314","0.004","10.274","0.003","14.422","0.004","90","","90","","90","","1824.6","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-4-oxo-3H,5H-6-imidazo[3,4-b]-[1,2,4]triazepinecarbonitrile","","- C8 H7 N5 O -","- C8 H7 N5 O -","- C64 H56 N40 O8 -","8","1","AL1045","Booth, B. L.; Pritchard, R. G.; Freitas, A. P.; Proença, M. F. J. R. P.","2-Methyl-4-oxo-3<i>H</i>,5<i>H</i>-6-imidazo[3,4-<i>b</i>][1,2,4]triazepinecarbonitrile: condensation product of a β-keto ester with 1,5-diamino-4-imidazolecarbonitrile under basic conditions","Acta Crystallographica Section C","1993","49","9","1693","1694","10.1107/S0108270193002896","","","0.71069","MoKα","","","0.0437","","","0.0425","","","","","1.148","1.148","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016933","13.7971","0.0005","8.5744","0.0003","28.1906","0.001","90","","90","","90","","3335","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,12-dibromodibenzo[<i>f</i>,<i>k</i>]-1,5-dioxa-1,2,3,4,5,8,9,10- octahydrocyclododecene","7,19-dibromo-11,15-dioxatricyclo[14.4.0.0^5,10^]icosaa-5,7,9,16,18,20-hexaene","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C144 H144 Br16 O16 -","8","1","SK3262","Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.","Two similar dibenzo cyclic ethers with dissimilar conformations","Acta Crystallographica Section C","2009","65","1","o27","o30","10.1107/S0108270108040882","","","0.71073","MoKα","","0.0894","0.0396","","","0.08","0.0997","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016935","9.6912","0.0002","8.3829","0.0002","30.1907","0.0008","90","","90","","90","","2452.7","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","","- C9 H16 N4 O3 S -","- C9 H16 N4 O3 S -","- C72 H128 N32 O24 S8 -","8","1","SK3272","Shishkina, Svetlana V.; Zubatyuk, Roman I.; Kucherenko, Lyudmila I.; Mazur, Ivan A.; Shishkin, Oleg V.","Two polymorphs of morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","Acta Crystallographica Section C","2009","65","1","o24","o26","10.1107/S0108270108042042","","","0.71073","MoKα","","0.0693","0.034","","","0.0755","0.0868","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016948","13.7359","0.0011","18.566","0.0016","21.1782","0.0018","90","","90","","90","","5400.9","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[chloridotris(ethylenediamine-κ^2^N,N')samarium(III) [indium(III)-di-μ-tellurido-indium(III)-di-μ-tellurido]]","","- C8 H32 Cl In2 N8 Sm Te4 -","- C8 H32 Cl In2 N8 Sm Te4 -","- C64 H256 Cl8 In16 N64 Sm8 Te32 -","8","1","EM3020","Li, Chun-Ying; Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Dai, Jie","{[SmCl(en)~4~][In~2~Te~4~]}~<i>n~</i>: an indium telluride with a one-dimensional sinusoidal chain","Acta Crystallographica Section C","2009","65","2","m100","m102","10.1107/S010827010803521X","","","0.71073","MoKα","","0.0654","0.0566","","","0.0985","0.1014","","","","","","1.293","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016966","11.799","0.0005","23.368","0.002","25.13","0.0011","90","","90","","90","","6928.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)","","- C42 H35 Cl Ni P2 -","- C42 H35 Cl Ni P2 -","- C336 H280 Cl8 Ni8 P16 -","8","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0876","0.0415","","","0.0778","0.088","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016982","14.2061","0.0002","13.444","0.0002","14.5341","0.0002","90","","90","","90","","2775.82","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","quinolin-6-ol","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","2","SK3283","Michta, Anna; Nowak, Maria; Kusz, Joachim","Quinolin-6-ol at 100K","Acta Crystallographica Section C","2009","65","2","o66","o69","10.1107/S010827010900047X","","","0.71073","MoKα","","0.0873","0.0439","","","0.0953","0.1017","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017013","16.1168","0.0002","17.1119","0.0002","7.68115","0.00007","90","","90","","90","","2118.38","0.04","298","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","","- C7 H10 Ag I N2 -","- C7 H10 Ag I N2 -","- C56 H80 Ag8 I8 N16 -","8","1","GT3002","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Powder study of poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","Acta Crystallographica Section C","2009","65","3","m135","m138","10.1107/S0108270109004661","","","1.5406","CuKα1","","","","","","","","","","1.24","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017042","8.735","0.0017","10.832","0.002","18.769","0.004","90","","90","","90","","1775.9","0.6","298.15","","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium dititanium difluoride dioxide heptaoxidodisilicate","","- Ba2 F2 O9 Si2 Ti2 -","- Ba2 F2 O9 Si2 Ti2 -","- Ba16 F16 O72 Si16 Ti16 -","8","1","FN3013","Mann, Matthew; Kolis, Joseph","Ba~2~Ti~2~Si~2~O~9~F~2~, a new titanium silicate","Acta Crystallographica Section C","2009","65","4","i17","i19","10.1107/S0108270109007677","","","0.71073","MoKα","","0.0271","0.026","","","0.0577","0.0582","","","","","","1.408","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017045","9.1439","0.0007","20.7113","0.0018","21.598","0.002","90","","90","","90","","4090.3","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>tert</i>-butyl 2-[1-hydroxy-3-(methoxycarbonyl)propyl]-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C20 H24 N2 O8 -","- C20 H24 N2 O8 -","- C160 H192 N16 O64 -","8","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0729","0.0439","","","0.0993","0.1097","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017059","19.28","0.003","21.358","0.004","27.67","0.005","90","","90","","90","","11394","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)- 26,28-bis(2-pyridylmethoxy)calix[4]arene","","- C60 H68 Cl2 N2 O6 -","- C60 H68 Cl2 N2 O6 -","- C480 H544 Cl16 N16 O48 -","8","1","LN3123","Zhao, Mei; Zhang, Xin-Yan; Ma, Jian-Ping; Huang, Ru-Qi; Guo, Dian-Shun","Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene","Acta Crystallographica Section C","2009","65","4","o186","o190","10.1107/S0108270109010609","","","0.71073","MoKα","","0.1148","0.0654","","","0.1637","0.1921","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017062","9.7758","0.0016","9.8211","0.0014","33.174","0.003","90","","90","","90","","3185","0.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2RS,4SR)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C160 H120 Br8 Cl8 N8 O8 -","8","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0751","0.0424","","","0.0772","0.0877","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017082","5.5071","0.0011","11.094","0.002","19.438","0.004","90","","90","","90","","1187.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-trihydro(isopropoxy)borato]sodium(I)]","","- C3 H10 B Na O -","- C3 H10 B Na O -","- C24 H80 B8 Na8 O8 -","8","1","DN3110","Gainsford, Graeme J.; Kemmitt, Tim; Jameson, Geoffrey B.; Telfer, Shane G.","The first example of a mixed alkoxide hydride of boron: sodium boron isopropoxide trihydride","Acta Crystallographica Section C","2009","65","5","m180","m181","10.1107/S010827010901172X","","","1.54178","CuKα","","0.0788","0.0703","","","0.1851","0.1938","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017105","11.548","0.004","8.479","0.002","37.184","0.01","90","","90","","90","","3640.9","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(morpholine)[<i>N</i>'-(5-nitro-2-oxidobenzylidene)benzohydrazidato]nickel(II)","","- C18 H18 N4 Ni O6 -","- C18 H18 N4 Ni O6 -","- C144 H144 N32 Ni8 O48 -","8","1","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0548","0.0375","","","0.0805","0.0881","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017106","17.004","0.005","11.13","0.004","18.59","0.005","90","","90","","90","","3518.2","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[μ-<i>N</i>'-(5-nitro-2- oxidobenzylidene)benzohydrazidato]bis[(morpholine)zinc(II)","","- C36 H38 N6 O8 Zn2 -","- C36 H38 N6 O8 Zn2 -","- C144 H152 N24 O32 Zn8 -","4","0.5","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0886","0.0491","","","0.1275","0.1377","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017123","7.3308","0.0001","12.7832","0.0003","28.0416","0.0006","90","","90","","90","","2627.81","0.09","296","","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-\ tetrathiapentalen-2-one","","- C9 H2 O S8 -","- C9 H2 O S8 -","- C72 H16 O8 S64 -","8","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.0375","0.0269","","","0.0653","0.0703","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017158","18.2543","0.0017","19.8942","0.0018","20.7455","0.0019","90","","90","","90","","7533.8","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","","- C24 H40 Cu N14 O16 -","- C24 H40 Cu N14 O16 -","- C192 H320 Cu8 N112 O128 -","8","1","SQ3191","Wang, Hai-Ying; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate] and poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","Acta Crystallographica Section C","2009","65","6","m211","m214","10.1107/S0108270109015066","","","0.71073","MoKα","","0.0477","0.0362","","","0.089","0.0963","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017246","9.111","0.002","18.83","0.004","23.754","0.005","90","","90","","90","","4075.2","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole acetonitrile solvate","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C184 H144 N32 O16 -","8","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1536","0.0469","","","0.086","0.1058","","","","","","0.814","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017258","8.981","0.003","24.056","0.008","10.895","0.003","90","","90","","90","","2353.8","1.3","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.123","0.0629","","","0.1285","0.1584","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017303","10.7959","0.0011","14.2116","0.0016","17.4303","0.0011","90","","90","","90","","2674.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-chloro- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H11 Br Cl N O S -","- C14 H11 Br Cl N O S -","- C112 H88 Br8 Cl8 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1156","0.0499","","","0.0625","0.0763","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017304","8.3789","0.0012","9.6964","0.0014","30.952","0.004","90","","90","","90","","2514.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-methyl-2-thienyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H15 N O S -","- C15 H15 N O S -","- C120 H120 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1127","0.0503","","","0.0964","0.1213","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017308","8.5031","0.0015","11.387","0.002","14.075","0.003","90","","90","","90","","1362.8","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C56 H40 F16 N8 O8 -","8","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0372","","","","0.0999","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017365","20.955","0.004","11.282","0.002","24.166","0.005","90","","90","","90","","5713.2","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~- thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","","- C7 H9 Ag N4 S -","- C7 H9 Ag N4 S -","- C168 H216 Ag24 N96 S24 -","24","3","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0832","0.0537","","","0.1172","0.1247","","","","","","0.898","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017448","11.1891","0.0011","7.4401","0.0007","21.359","0.002","90","","90","","90","","1778.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C72 H56 N24 O8 S8 -","8","1","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKa","","0.0366","0.0296","","","0.0777","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017463","6.7339","0.0011","15.469","0.004","21.327","0.004","90","","90","","90","","2221.6","0.8","168","2","168","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-amino-7-methoxy-1,4-dihydroquinoxaline-2,3-dione hydrochloride hydrate","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","","- C9 H12 Cl N3 O4 -","- C9 H12 Cl N3 O4 -","- C72 H96 Cl8 N24 O32 -","8","1","DN3132","Brüning, Jürgen; Peters, Alexander; Bats, Jan W.; Schmidt, Martin U.","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","Acta Crystallographica Section C","2010","66","1","o1","o4","10.1107/S0108270109050197","","","0.71073","MoKα","","0.1465","0.0538","","","0.0918","0.1174","","","","","","0.993","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017497","13.793","0.0012","13.5544","0.0012","17.9574","0.0016","90","","90","","90","","3357.2","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Granisetron","1-methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole- 3-carboxamide","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","1","DN3133","Ravikumar, Krishnan; Sridhar, Balasubramanian","Granisetron, an antiemetic drug, and its cobalt complex","Acta Crystallographica Section C","2010","66","2","m35","m39","10.1107/S0108270109055449","","","0.71073","MoKα","","0.0491","0.043","","","0.1179","0.1283","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017511","14.6031","0.0006","6.2725","0.0003","22.6997","0.0012","90","","90","","90","","2079.25","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3<i>Z</i>)-3-(1<i>H</i>-pyrrol-2-ylmethylidene)-1<i>H</i>-indol- 2(3<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0817","0.053","","","0.0998","0.1104","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017558","14.3808","0.0002","12.6799","0.0002","22.4021","0.0003","90","","90","","90","","4084.96","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pyrimethaminium 2,4-dichlorobenzoate","2,4-diamino-(4-chlorophenyl)-6-ethylpyrimidinium 2,4-dichlorobenzoate","","- C19 H17 Cl3 N4 O2 -","- C19 H17 Cl3 N4 O2 -","- C152 H136 Cl24 N32 O16 -","8","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0714","0.0424","","","0.1004","0.1181","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017560","9.7371","0.0019","7.8756","0.0016","25.141","0.005","90","","90","","90","","1928","0.7","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-chloroanilinium dihydrogen phosphate","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","GD3320","Balamurugan, P.; Jagan, R.; Sivakumar, K.","Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts","Acta Crystallographica Section C","2010","66","3","o109","o113","10.1107/S0108270110001940","","","0.71073","MoKα","","0.0451","0.0395","","","0.1206","0.1272","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017572","9.602","0.005","9.259","0.005","13.89","0.006","90","","90","","90","","1234.9","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium bis(tetrafluoroborate)","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","LN3136","Goreshnik, Evgeny; Vakulka, Andrii; Žemva, Boris","Strontium tetrafluoroborate. Erratum","Acta Crystallographica Section C","2010","66","3","e9","","10.1107/S0108270109054286","","","0.71069","MoKα","","","0.0593","","","","0.1106","","","","","","1.337","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017606","7.533","0.0017","7.835","0.0015","20.098","0.004","90","","90","","90","","1186.2","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","benzene-1,2-diamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","FG3158","Czapik, Agnieszka; Gdaniec, Maria","A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs","Acta Crystallographica Section C","2010","66","4","o198","o201","10.1107/S0108270110008474","","","0.71073","MoKα","","0.0588","0.0355","","","0.0827","0.0883","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017688","13.875","0.003","13.142","0.003","22.166","0.004","90","","90","","90","","4041.9","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]","","- C40 H34 N12 O9 Zn2 -","- C40 H34 N12 O9 Zn2 -","- C160 H136 N48 O36 Zn8 -","4","0.5","SQ3238","Duan, Li; Wu, Xiang-Wen; Ma, Jian-Ping; Dong, Yu-Bin","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]: a novel two-dimensional framework formed by self-association of zinc(II) sulfate with 3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section C","2010","66","6","m149","m151","10.1107/S0108270110014988","","","0.71073","MoKα","","0.0641","0.0435","","","0.1068","0.1184","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2017747","20.7129","0.0005","7.1803","0.0002","37.4469","0.0009","90","","90","","90","","5569.3","0.2","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-1,3-thiazolium hydrogen fumarate","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C168 H192 N48 O96 S24 -","24","3","GA3150","John, Jain; Balasubramanian, T.","<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate","Acta Crystallographica Section C","2010","66","8","o436","o440","10.1107/S0108270110023206","","","0.71073","MoKα","","0.0679","0.0518","","","","0.1491","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017770","16.24649","0.00013","16.59379","0.00012","7.40433","0.00004","90","","90","","90","","1996.14","0.02","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]","","- C7 H10 Ag Br N2 -","- C7 H10 Ag Br N2 -","- C56 H80 Ag8 Br8 N16 -","8","1","ER2080","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]: a powder diffraction study","Acta Crystallographica, Section E","2010","66","12","m1555","m1556","10.1107/S1600536810044703","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.28","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017782","8.977","0.007","9.186","0.007","10.003","0.007","90","","90","","90","","824.9","1.1","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","aminomethylphosphonic acid","","- C H6 N O3 P -","- C H6 N O3 P -","- C8 H48 N8 O24 P8 -","8","1","SO5036","Janicki, Rafał; Starynowicz, Przemysław","Charge density distribution in aminomethylphosphonic acid","Acta Crystallographica Section B","2010","66","5","559","567","10.1107/S0108768110026091","","","0.71073","MoKα","","0.0308","0.0217","","","0.0452","0.0463","","","","","","2","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017855","17.467","0.003","9.205","0.0016","18.183","0.003","90","","90","","90","","2923.5","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Diphenylbenzamide","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","MX3035","Choudhury, Diganta; Banik, Abhijit; Sarma, Rupam","<i>N</i>,<i>N</i>-Diphenylbenzamide","Acta Crystallographica Section C","2010","66","10","o524","o526","10.1107/S0108270110036887","","","0.71073","MoKα","","0.0517","0.0358","","","0.0972","0.103","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017863","17.3649","0.0009","8.6087","0.0004","23.8669","0.0012","90","","90","","90","","3567.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate]","","- C21 H11.5 N7 O2.25 Zn -","- C21 H11 N7 O2.25 Zn -","- C168 H88 N56 O18 Zn8 -","8","1","SQ3250","Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo","A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene","Acta Crystallographica Section C","2010","66","10","m283","m285","10.1107/S0108270110033998","","","0.71073","MoKα","","0.0355","0.0272","","","0.0682","0.0706","","","","","","0.968","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017877","13.437","0.005","12.993","0.005","27.088","0.01","90","","90","","90","","4729","3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-\ trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-\ 1-benzothiophene-3-carboxamide","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C208 H224 N16 O32 S8 -","8","1","BI3001","Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan","<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2010","66","12","o571","o574","10.1107/S0108270110040448","","","0.71073","MoKα","","0.0659","0.0447","","","0.1152","0.1234","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017900","16.2033","0.0004","8.1005","0.0002","18.8425","0.0005","90","","90","","90","","2473.17","0.11","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(benzimidazolium-2-yl)salicylate","5-(1<i>H</i>-benzimidazol-3-ium-2-yl)-2-hydroxybenzoate","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","SK3389","Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong","5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate","Acta Crystallographica Section C","2010","66","12","o596","o599","10.1107/S0108270110044926","","","0.71073","MoKα","","0.0676","0.041","","","0.0935","0.104","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017903","7.1523","0.0002","20.0145","0.0005","36.8669","0.0008","90","","90","","90","","5277.5","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C288 H192 N16 O16 -","8","1","SU3052","Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","Acta Crystallographica Section C","2010","66","12","o623","o626","10.1107/S0108270110045725","","","0.71073","MoKα","","0.102","0.0522","","","0.1334","0.1556","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017931","8.7024","0.0002","12.8964","0.0004","26.9492","0.0007","90","","90","","90","","3024.5","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-\ cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0542","0.0377","","","0.0885","0.0965","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017943","8.6971","0.0005","10.3972","0.0005","21.728","0.0015","90","","90","","90","","1964.8","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-bis(hydroxymethyl)propane-1,3-diyl bis(thiocyanate)","","- C7 H10 N2 O2 S2 -","- C7 H10 N2 O2 S2 -","- C56 H80 N16 O16 S16 -","8","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.09","0.0397","","","0.0608","0.0691","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018112","14.592","0.003","5.5108","0.0011","15.106","0.003","90","","90","","90","","1214.7","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(Thiophen-3-yl)ethanone","","- C6 H6 O S -","- C6 H6 O S -","- C48 H48 O8 S8 -","8","1","SK3405","Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard","1-(Thiophen-3-yl)ethanone","Acta Crystallographica Section C","2011","67","6","o209","o211","10.1107/S010827011101506X","","","0.71073","MoKα","","0.0861","0.0404","","","0.0669","0.0825","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018155","15.684","0.003","13.007","0.002","21.981","0.004","90","","90","","90","","4484.2","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1,2-bis(isopropylsulfanyl)ethane-2κ^2^<i>S</i>,<i>S</i>']octachlorido- 1κ^5^<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxido-ditantalum(V)","","- C8 H18 Cl8 O S2 Ta2 -","- C8 H18 Cl8 O S2 Ta2 -","- C64 H144 Cl64 O8 S16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0479","0.0357","","","0.0668","0.0724","","","","","","1.098","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2018187","8.7357","0.001","16.828","0.0018","31.896","0.004","90","","90","","90","","4688.9","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethyl 2-(triphenylphosphoranylidene)succinate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C208 H216 O32 P8 -","8","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0849","0.0516","","","0.1256","0.1386","","","","","","0.914","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018194","9.5542","0.0005","18.7198","0.0009","21.1509","0.0012","90","","90","","90","","3782.9","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-fluoro-<i>N</i>-(1<i>H</i>-pyrrol-2-ylmethylidene)aniline","","- C11 H9 F N2 -","- C11 H9 F N2 -","- C176 H144 F16 N32 -","16","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0726","0.0383","","","0.0841","0.1","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018203","6.8802","0.0001","16.7892","0.0004","21.924","0.0005","90","","90","","90","","2532.51","0.09","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate dihydrate","","- C8 H12 Cl2 N4 O3 -","- C8 H12 Cl2 N4 O3 -","- C64 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.1108","0.0525","","","0.1175","0.1416","","","","","","1.054","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018205","15.963","0.0001","7.406","0.0002","21.793","0.0003","90","","90","","90","","2576.41","0.08","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-amino[(2,6-dichloro-4-hydroxystyryl)amino]methaniminium acetate","","- C10 H12 Cl2 N4 O3 -","- C10 H12 Cl2 N4 O3 -","- C80 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0503","0.0372","","","0.0919","0.0997","","","","","","1.091","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018238","6.6577","0.0017","18.1234","0.0003","18.579","0.003","90","","90","","90","","2241.7","0.7","122","1","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Magnesium FDA","Hexaaquamagnesium(ii) (2,5-furandicarboxylate)","","- C6 H14 Mg O11 -","- C6 H14 Mg O11 -","- C48 H112 Mg8 O88 -","8","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0574","0.0354","","","0.0824","0.0917","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018266","16.498","0.003","16.912","0.003","23.552","0.005","90","","90","","90","","6571","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}bis(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) bis(hexafluoridophosphate)","","- C22 H35 Cu F12 N9 P2 -","- C22 H35 Cu F12 N9 P2 -","- C176 H280 Cu8 F96 N72 P16 -","8","1","YF3005","Yu, Fan","<i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.0618","0.0527","","","0.1619","0.1694","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018292","36.627","0.004","12.5071","0.001","7.5769","0.0004","90","","90","","90","","3471","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro- 1,3-benzothiazol-2-imine","","- C21 H14 N4 O2 S -","- C21 H14 N4 O2 S -","- C168 H112 N32 O16 S8 -","8","1","LG3066","Vallcorba, Oriol; Latorre, Sonia; Alcobé, Xavier; Miravitlles, Carles; Rius, Jordi","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data","Acta Crystallographica Section C","2011","67","11","o425","o427","10.1107/S0108270111039916","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.667","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018299","10.434","0.0006","11.132","0.0006","28.709","0.0017","90","","90","","90","","3334.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-propyl-2-thiouracil","6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0918","0.0463","","","0.0815","0.0926","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018328","9.9037","0.0004","11.5575","0.0004","16.727","0.0006","90","","90","","90","","1914.61","0.12","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-Sulfoethylammonium hexafluoridoantimonate","","- C2 H8 F6 N O3 S Sb -","- C2 H8 F6 N O3 S Sb -","- C16 H64 F48 N8 O24 S8 Sb8 -","8","1","OV3009","Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas","2-Sulfoethylammonium hexafluoridoantimonate","Acta Crystallographica Section C","2011","67","12","m400","m402","10.1107/S0108270111047548","","","0.71073","MoKα","","0.0243","0.0183","","","0.0421","0.043","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018393","11.827","0.0003","16.1719","0.0004","18.6774","0.0005","90","","90","","90","","3572.33","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethylammonium 5-ethyl-2,4,6-trioxo-5-(piperidin-1-yl)-1,3-diazinan-1-ide","","- C15 H28 N4 O3 -","- C15 H28 N4 O3 -","- C120 H224 N32 O24 -","8","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0379","0.0345","","","0.0937","0.0966","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018399","6.5362","0.0003","16.6485","0.0006","26.1629","0.0015","90","","90","","90","","2847","0.2","120","0.14","120","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C32 H144 F8 N64 O56 P8 -","8","1","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.1766","0.0698","","","0.1388","0.1928","","","","","","1.43","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018403","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0533","0.0296","","","0.0624","0.0651","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018406","11.0737","0.0011","18.0705","0.0017","20.1156","0.0019","90","","90","","90","","4025.3","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5- diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","","- C17 H21 N3 O7 U -","- C17 H21 N3 O7 U -","- C136 H168 N24 O56 U8 -","8","1","BI3033","Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","Acta Crystallographica Section C","2012","68","3","m61","m63","10.1107/S0108270112003034","","","0.71073","MoKα","","0.0424","0.0271","","","0.0559","0.0614","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018460","8.4644","0.0002","19.8264","0.0005","27.9406","0.0007","90","","90","","90","","4689","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","aripiprazole nitrate","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium nitrate","","- C23 H28 Cl2 N4 O5 -","- C23 H28 Cl2 N4 O5 -","- C184 H224 Cl16 N32 O40 -","8","1","QS3012","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. I. Aripiprazole nitrate","Acta Crystallographica Section C","2012","68","4","o170","o173","10.1107/S0108270112010785","","","0.71073","MoKα","","0.0555","0.0417","","","0.095","0.1027","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018465","8.2523","0.0003","11.1475","0.0003","27.817","0.0007","90","","90","","90","","2558.96","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cyclopentylaminium cinnamate","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0418","","","","0.1067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018474","13.7285","0.0012","19.233","0.0018","21.171","0.002","90","","90","","90","","5590","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-{1,8-bis[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24-hydrate","","- C20 H36.48 Cl2 N8 Ni O8.24 -","- C20 H36 Cl2 N8 Ni O8.248 -","- C160 H288 Cl16 N64 Ni8 O65.984 -","8","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.0945","0.0642","","","0.1366","0.1512","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018509","11.0841","0.0016","7.8287","0.0012","17.72","0.002","90","","90","","90","","1537.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibromoborylbenzene","","- C6 H5 B Br2 -","- C6 H5 B Br2 -","- C48 H40 B8 Br16 -","8","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0771","0.0504","","","0.1003","0.1097","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018571","14.1516","0.0002","7.0064","0.0001","18.3134","0.0002","90","","90","","90","","1815.81","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(9-Fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C88 H64 F8 N8 O24 -","8","1","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0624","0.0437","","","0.1109","0.1226","","","","","","1.053","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018573","11.2228","0.0003","10.0097","0.0003","18.7285","0.0004","90","","90","","90","","2103.9","0.1","295","2","295","2","98","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>N</i>,<i>N</i>-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0445","0.041","","","0.1117","0.1148","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018581","22.1562","0.0002","6.9556","0.0007","25.0366","0.0005","90","","90","","90","","3858.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ag4 N2 O4 S2 -","- C16 H16 Ag4 N2 O4 S2 -","- C128 H128 Ag32 N16 O32 S16 -","8","1","QS3015","Sun, Di; Yan, Zhi-Hao","A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands","Acta Crystallographica Section C","2012","68","8","m229","m232","10.1107/S0108270112031125","","","0.71073","MoKα","","0.0647","0.0439","","","0.0816","0.1128","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018598","10.6137","0.0014","8.3339","0.001","34.35","0.004","90","","90","","90","","3038.4","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cycyclen","2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol","","- C14 H30 N4 O -","- C14 H30 N4 O -","- C112 H240 N32 O8 -","8","1","DT3014","de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M.","Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)","Acta Crystallographica Section C","2012","68","10","o383","o386","10.1107/S0108270112037195","","","0.71073","MoKα","","0.0723","0.0449","","","0.1026","0.106","","","","","","0.866","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018654","10.6645","0.0007","10.3818","0.0007","32.164","0.002","90","","90","","90","","3561.1","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","benzoyl(hydroxyimino)acetonitrile‒18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane)‒water (2/1/4)","","- C30 H44 N4 O14 -","- C30 H44 N4 O14 -","- C120 H176 N16 O56 -","4","0.5","SF3178","Ponomarova, Vira V.; Domasevitch, Konstantin V.","A three-component cocrystal: benzoyl(hydroxyimino)acetonitrile‒18-crown-6‒water (2/1/4)","Acta Crystallographica Section C","2012","68","9","o359","o361","10.1107/S0108270112034208","","","0.71073","MoKα","","0.0691","0.0451","","","0.0773","0.0842","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018655","14.6307","0.0011","8.5718","0.0007","28.083","0.002","90","","90","","90","","3521.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4<i>H</i>-1,2,4-Triazolo[3,4-<i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C144 H112 N48 O16 S16 -","16","2","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0312","0.0295","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018658","7.411","0.0006","16.2739","0.0018","17.201","0.002","90","","90","","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene- 1,3-thiazolidin-4-one monohydrate","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C64 H72 N24 O16 S16 -","8","1","SF3183","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2012","68","11","o468","o471","10.1107/S0108270112043260","","","0.71073","MoKα","","0.1104","0.0555","","","0.1342","0.1636","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018749","7.5509","0.0007","15.2328","0.0012","50.601","0.003","90","","90","","90","","5820.2","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C184 H296 N72 O40 S16 -","8","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1821","0.0789","","","0.1835","0.2288","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018767","8.415","0.0007","12.8669","0.0011","15.2441","0.0014","90","","90","","90","","1650.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","1","WQ3020","Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu","An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate","Acta Crystallographica Section C","2013","69","1","61","65","10.1107/S0108270112047877","","","0.71073","MoKα","","0.0912","0.0487","","","0.1158","0.1519","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018859","11.24","","12.278","","12.955","","90","","90","","90","","1787.85","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag2 (Al4 Cl10 O2)","","- Ag2 Al4 Cl10 O2 -","- Ag2 Al4 Cl10 O2 -","- Ag8 Al16 Cl40 O8 -","4","0.5","","Jentsch, D.; Schwarzmann, E.; Sheldrick, G.M.; Jones, P.G.","Disilver(I) Decachlorodioxotetraaluminate(III), Ag2 (Al4 Cl10 O2)","Acta Crystallographica C (39,1983-)","1983","39","","1173","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018902","9.1323","0.0002","8.9812","0.0002","27.1824","0.0006","90","","90","","90","","2229.47","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(±)-amphetamine gold(III) dichloride","[<i>D</i>,<i>L</i>-2-(2-Aminopropyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]dichloridogold(III)","","- C9 H12 Au Cl2 N -","- C9 H12 Au Cl2 N -","- C72 H96 Au8 Cl16 N8 -","8","1","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.042","0.042","","","0.102","0.102","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018919","12.0692","0.0015","12.7108","0.0017","12.882","0.002","90","","90","","90","","1976.2","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0421","0.0375","","","0.1061","0.1086","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018920","12.0802","0.0019","12.763","0.0019","12.832","0.002","90","","90","","90","","1978.4","0.5","200","","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0469","0.0348","","","0.0831","0.0875","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018957","12.1097","0.0014","12.7228","0.0015","25.46","0.003","90","","90","","90","","3922.6","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","","- C19 H20 Cl Cu N3 O4 -","- C19 H20 Cl Cu N3 O4 -","- C152 H160 Cl8 Cu8 N24 O32 -","8","1","FN3134","Wang, Min; Lian, Zhao-Xun","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2013","69","6","594","596","10.1107/S0108270113011967","","","0.71073","MoKα","","0.0812","0.0417","","","0.1016","0.1185","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019035","24.906","0.004","18.144","0.002","8.328","0.002","90","","90","","90","","3763.4","1.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","","- C13.6 H24.4 Cl2 N0.8 Pd S3 -","- C13.588 H24.382 Cl2 N0.794 Pd S3 -","- C108.704 H195.056 Cl16 N6.352 Pd8 S24 -","8","1","FN3138","Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","Acta Crystallographica Section C","2013","69","7","727","729","10.1107/S0108270113015060","","","0.71069","MoKα","","0.0992","0.0376","","","0.0926","0.1093","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019054","7.2326","0.0004","12.3516","0.0013","29.695","0.003","90","","90","","90","","2652.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(4-methylphenyl)-1,2,4-benzotriazine- 6-carboxylate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.1144","0.0617","","","0.1517","0.1883","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019058","9.0206","0.0002","16.7979","0.0004","17.3754","0.0005","90","","90","","90","","2632.84","0.11","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II)","","- C18 H40 Cl2 Cu N4 O8 -","- C18 H40 Cl2 Cu N4 O8 -","- C72 H160 Cl8 Cu4 N16 O32 -","4","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0587","0.0436","","","0.1068","0.116","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019093","6.9712","0.001","12.637","0.0017","30.182","0.004","90","","90","","90","","2658.9","0.6","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(2-(2-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0424","0.0373","","","0.0847","0.0878","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019112","7.4502","0.0015","16.337","0.003","30.484","0.006","90","","90","","90","","3710.3","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[cadmium(II)-di-μ-chlorido-μ-(4-azonia-1-azabicyclo[2.2.2]octane-1-carboxylato)] [aquadi-μ-chlorido-chloridocadmium(II)] dihydrate]","","- C8 H21 Cd2 Cl5 N2 O5 -","- C8 H21 Cd2 Cl5 N2 O5 -","- C64 H168 Cd16 Cl40 N16 O40 -","8","1","YF3038","Liao, Wei-Qiang; Zhang, Yi","A novel cadmium(II) coordination polymer containing two kinds of independent one-dimensional chain","Acta Crystallographica Section C","2013","69","8","829","832","10.1107/S0108270113017368","","","0.71073","MoKα","","0.0736","0.0461","","","0.0897","0.0987","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019123","12.5489","0.0004","16.456","0.0005","20.9643","0.0006","90","","90","","90","","4329.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Anilino(diphenylphosphoryl)methyl]phenol","","- C25 H22 N O2 P -","- C25 H22 N O2 P -","- C200 H176 N8 O16 P8 -","8","1","EG3131","Wu, Ming-Shu; Feng, Qing-Qin; Li, Gao-Nan; Wan, De-Hui","2-[Anilino(diphenylphosphoryl)methyl]phenol from a three-component Kabachnik‒Fields reaction","Acta Crystallographica Section C","2013","69","9","1070","1072","10.1107/S0108270113022087","","","0.71073","MoKα","","0.0817","0.0476","","","0.1061","0.1215","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019201","11.3673","0.0002","9.5997","0.0002","28.6571","0.0005","90","","90","","90","","3127.14","0.1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","","- C10 H22 Cl4 N2 Zn -","- C10 H22 Cl4 N2 Zn -","- C80 H176 Cl32 N16 Zn8 -","8","1","CU3034","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","Acta Crystallographica Section C","2013","69","11","1304","1306","10.1107/S0108270113026267","","","1.54184","CuKα","","0.0227","0.0216","","","0.055","0.0557","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019266","7.6869","0.0005","15.7109","0.001","22.6742","0.0014","90","","90","","90","","2738.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.056","0.0403","","","0.1031","0.1088","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019312","7.9406","0.0004","6.8025","0.0004","33.27","0.0017","90","","90","","90","","1797.11","0.17","200","1","200","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","sodium 4-chloro-3-nitrobenzoate monohydrate","Poly[aqua(μ~4~-4-chloro-3-nitrobenzoato)sodium(I)]","","- C7 H5 Cl N Na O5 -","- C7 H5 Cl N Na O5 -","- C56 H40 Cl8 N8 Na8 O40 -","8","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0407","0.0365","","","0.0888","0.0914","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019354","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0145","","","","0.0104","","","","","","0.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019355","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0149","","","","0.0112","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019356","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0166","","","","0.0132","","","","","","0.85","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019357","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0182","","","","0.0165","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019358","11.6103","0.0004","10.7291","0.0003","13.2013","0.0004","90","","90","","90","","1644.46","0.09","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.01","","","","0.0075","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019359","11.6103","0.0004","10.7291","0.0003","13.2013","0.0004","90","","90","","90","","1644.46","0.09","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0178","","","","0.0201","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019376","15.2437","0.0006","6.8275","0.0017","23.555","0.002","90","","90","","90","","2451.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-thiouracil‒1-methylpyrrolidin-2-one (1/1)","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C88 H136 N24 O16 S8 -","8","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0638","0.0584","","","0.1249","0.1286","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019418","16.5","0.006","11.356","0.004","24.656","0.009","90","","90","","90","","4620","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Bis{2-methyl-5-[2-(pyridin-3-yl)ethenyl]phenyl}-1,3,4-oxadiazole","","- C30 H20 N4 O -","- C30 H20 N4 O -","- C240 H160 N32 O8 -","8","1","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0635","0.0414","","","0.1032","0.1169","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019435","8.794","0.009","11.696","0.007","12.854","0.008","90","","90","","90","","1322.1","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Nitro-1,3,5,2,4-trithiadiazepine","","- C2 H N3 O2 S3 -","- C2 H N3 O2 S3 -","- C16 H8 N24 O16 S24 -","8","1","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0796","0.0596","","","0.1457","0.1578","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019479","17.291","0.0017","12.5737","0.0005","21.8534","0.0005","90","","90","","90","","4751.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(ethylamine-κ<i>N</i>)(piperidine-κ<i>N</i>)platinum(II)","","- C7 H18 Cl2 N2 Pt -","- C7 H18 Cl2 N2 Pt -","- C112 H288 Cl32 N32 Pt16 -","16","2","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0258","0.0188","","","0.0386","0.0409","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019532","18.2319","0.0008","14.2937","0.0007","18.4926","0.0008","90","","90","","90","","4819.2","0.4","289.17","0.1","289.17","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-poly[[[dichloridocobalt(II)]-μ-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] methanol disolvate]","","- C24 H24 Cl2 Co N4 O2 -","- C24 H24 Cl2 Co N4 O2 -","- C192 H192 Cl16 Co8 N32 O16 -","8","1","BG3176","Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping","Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~","Acta Crystallographica Section C","2014","70","5","522","527","10.1107/S2053229614009000","","","0.7107","MoKα","","0.0851","0.0535","","","0.1135","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019545","7.28","0.003","22.171","0.01","24.289","0.011","90","","90","","90","","3920","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","","- C19 H15 Bi N6 O6 -","- C19 H15 Bi N6 O6 -","- C152 H120 Bi8 N48 O48 -","8","1","KU3130","Zhang, Wei; Feng, Yu-Quan","A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","Acta Crystallographica Section C","2014","70","6","562","565","10.1107/S2053229614009863","","","0.71073","MoKα","","0.0468","0.0282","","","0.0595","0.068","","","","","","1.006","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2019547","9.859","0.002","13.979","0.004","29.331","0.008","90","","90","","90","","4042.4","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7,7'-(2-Methylidenepropane-1,3-diyl)bis[3-methyl-2-methylsulfanyl-3<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(7<i>H</i>)-one]","","- C20 H22 N6 O2 S2 -","- C20 H22 N6 O2 S2 -","- C160 H176 N48 O16 S16 -","8","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71075","MoKα","","0.0442","0.041","","","0.0933","0.0953","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019600","11.2923","0.0008","29.204","0.003","15.8321","0.0016","90","","90","","90","","5221.1","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hexa-<i>tert</i>-butyldisilane","","- C24 H54 Si2 -","- C24 H54 Si2 -","- C192 H432 Si16 -","8","1","","Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.","A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","Acta Crystallographica Section C","2014","70","7","697","701","10.1107/S2053229614013503","","","0.71073","MoKα","","0.0921","0.0483","","","0.102","0.1157","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019619","8.53937","0.00013","15.0206","0.0002","21.396","0.0003","90","","90","","90","","2744.39","0.07","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide","","- C11 H13 N3 O2 S2 -","- C11 H13 N3 O2 S2 -","- C88 H104 N24 O16 S16 -","8","1","FA3347","Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco","Distinguishing tautomerism in the crystal structure of (<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and ^13^C solid-state NMR","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015356","powder diffraction","","1.54056","CuKα~1~","","0.033","","","","","","","","1.53","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019657","7.162","0.0002","10.0096","0.0002","27.8847","0.0007","90","","90","","90","","1999.02","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-1,3,4-thiadiazole‒glutaric acid (1/1)","","- C7 H11 N3 O4 S -","- C7 H11 N3 O4 S -","- C56 H88 N24 O32 S8 -","8","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0361","0.0275","","","0.0646","0.0674","","","","","","1.66","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019671","21.8864","0.0009","11.2268","0.0004","24.267","0.0009","90","","90","","90","","5962.7","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-fluorophenyl)-2,4-bis(pyridine-2-carbonyl)1-(pyridin-2-yl)cyclohexanol","","- C35 H27 F2 N3 O3 -","- C35 H27 F2 N3 O3 -","- C280 H216 F16 N24 O24 -","8","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0594","0.0458","","","0.1192","0.1305","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019676","11.1299","0.001","13.1194","0.0012","23.797","0.002","90","","90","","90","","3474.8","0.5","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene <i>n</i>-solvate","","- C38 H12 Cu F20 O4 -","- C38 H12 Cu F20 O4 -","- C152 H48 Cu4 F80 O16 -","4","0.5","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0465","0.0308","","","0.0722","0.0794","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019681","14.7742","0.0007","7.2681","0.0003","17.2792","0.0008","90","","90","","90","","1855.45","0.14","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-nitro-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C96 H64 N16 O16 -","8","1","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0672","0.034","","","0.0743","0.0804","","","","","","0.855","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019752","12.7421","0.0011","16.6345","0.0014","20.278","0.003","90","","90","","90","","4298.1","0.8","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl)(ethenyl)(ferrocenyl)boronium hexafluoridophosphate","","- C22 H20 B F6 Fe N2 P -","- C22 H20 B F6 Fe N2 P -","- C176 H160 B8 F48 Fe8 N16 P8 -","8","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0592","0.0349","","","0.0762","0.086","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019756","7.0133","0.0005","17.8399","0.0013","25.0044","0.0018","90","","90","","90","","3128.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide/chloride (0.343/0.657)","","- C16 H22 Br0.34 Cl0.66 N O3 -","- C16 H22 Br0.3432 Cl0.6568 N O3 -","- C128 H176 Br2.7456 Cl5.2544 N8 O24 -","8","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0277","0.0246","","","0.0641","0.0662","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019766","13.4478","0.0002","7.9458","0.0001","19.7535","0.0003","90","","90","","90","","2110.73","0.05","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenylindolin-2-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.046","0.0416","","","0.1161","0.1214","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019802","13.87","0.003","19.023","0.004","19.238","0.004","90","","90","","90","","5075.9","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","","- C24 H15 N2 O10 Zn2 -","- C24 H13 N2 O10 Zn2 -","- C192 H104 N16 O80 Zn16 -","8","1","FA3357","Wen, Meng; Xiao, Zu-Ping; Wang, Chun-Ya; Huang, Xi-He","A three-dimensional coordination polymer based on the Zn~4~(μ~3~-OH)~2~ unit: poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000467","","","0.71073","MoKα","","0.064","0.0595","","","0.1092","0.1112","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019807","8.9129","0.0004","13.9987","0.0007","32.2568","0.0016","90","","90","","90","","4024.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","C23H19CuN3O3","(Pyridine-κ<i>N</i>)bis(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)copper(II) monohydrate","","- C23 H19 Cu N3 O3 -","- C23 H19 Cu N3 O3 -","- C184 H152 Cu8 N24 O24 -","8","1","JJ2192","Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn","Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m38","","10.1107/S2056989015001279","","","0.71073","MoKα","","0.0774","0.0377","","","0.0797","0.0925","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019847","13.0774","0.0005","13.4537","0.0005","26.5153","0.0009","90","","90","","90","","4665.1","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>]ethyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride","","- C23 H27 Cl3 N3 Rh -","- C23 H27 Cl3 N3 Rh -","- C184 H216 Cl24 N24 Rh8 -","8","1","RZ5146","Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno","Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","248","","10.1107/S205698901500184X","","","0.71073","MoKα","","0.0587","0.0318","","","0.0501","0.0535","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019863","7.1094","0.0017","20.94","0.005","20.94","","90","","90","","90","","3117.4","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","","- C15 H11 Cl2 N O2 S -","- C15 H11 Cl2 N O2 S -","- C120 H88 Cl16 N8 O16 S8 -","8","1","SU5062","Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.","Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","264","","10.1107/S2056989015001954","","","0.71073","MoKα","","0.0791","0.0513","","","0.1263","0.1381","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019923","20.656","0.004","17.666","0.004","31.305","0.006","90","","90","","90","","11423","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^2N,N')chromium(III) perchlorate","","- C10 H28 Br2 Cl Cr N4 O4 -","- C10 H28 Br2 Cl Cr N4 O4 -","- C240 H672 Br48 Cl24 Cr24 N96 O96 -","24","3","EG3179","Moon, Dohyun; Choi, Jong-Ha","Synthesis, crystal structure and spectroscopic properties of <i>trans</i>-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N,N</i>')chromium(III) perchlorate","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006026","","","0.62998","synchrotron","","0.0362","0.0308","","","0.0831","0.086","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019926","7.1305","0.0005","12.5719","0.001","27.745","0.002","90","","90","","90","","2487.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methylpiperazine-1,4-diium bis(dihydrogen phosphate)","","- C5 H18 N2 O8 P2 -","- C5 H18 N2 O8 P2 -","- C40 H144 N16 O64 P16 -","8","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0656","0.041","","","0.0968","0.1106","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019957","14.0819","0.0007","9.747","0.0005","24.0399","0.0012","90","","90","","90","","3299.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 6-bromo-2-[(<i>E</i>)-2-phenylethenyl]quinoline-4-carboxylate","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C160 H128 Br8 N8 O16 -","8","1","SU5042","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o121","","10.1107/S2056989014028266","","","1.54178","CuKα","","0.0566","0.0459","","","0.1228","0.1341","","","","","","1.043","","","","has coordinates,has Fobs","136871","2020-10-21","18:00:00",""
"2019998","13.4314","0.0004","8.2405","0.0004","29.9252","0.0009","90","","90","","90","","3312.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one","","- C18 H14 Cl2 O -","- C18 H14 Cl2 O -","- C144 H112 Cl16 O8 -","8","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0994","0.058","","","0.1747","0.2063","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020052","16.7032","0.0006","12.0743","0.0004","12.0288","0.0004","90","","90","","90","","2425.96","0.14","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C48 H144 Cl8 Co8 N48 O32 -","8","1","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0194","0.0179","","","0.0548","0.0563","","","","","","1.074","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020071","8.2717","0.0002","17.453","0.0003","23.3501","0.0005","90","","90","","90","","3370.96","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(<i>E</i>)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C19 H13 N3 O S2 -","- C19 H13 N3 O S2 -","- C152 H104 N24 O8 S16 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0543","0.0428","","","0.1098","0.1195","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020072","16.6123","0.0003","9.7589","0.0002","17.7543","0.0004","90","","90","","90","","2878.29","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (2<i>Z</i>)-2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0632","0.0454","","","0.1066","0.1177","","","","","","1.065","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020080","10.2561","0.0018","17.088","0.003","22.205","0.004","90","","90","","90","","3891.6","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-iodobenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cobalt(II)","","- C18 H17 Co I N4 O4 -","- C18 H17 Co I N4 O4 -","- C144 H136 Co8 I8 N32 O32 -","8","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.0756","0.04","","","0.0789","0.0895","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020118","15.4687","0.0004","18.5439","0.0005","22.8784","0.0007","90","","90","","90","","6562.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetrabutylammonium) dichloride dodecachlorohexasilane benzene disolvate","","- C44 H84 Cl14 N2 Si6 -","- C44 H84 Cl14 N2 Si6 -","- C176 H336 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0745","0.0578","","","0.1398","0.1499","","","","","","1.079","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020142","6.988","","13.569","","15.431","","90","","90","","90","","1463.17","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hg3 O2 (N O3)2","","- Hg3 N2 O8 -","- Hg3 N2 O8 -","- Hg24 N16 O64 -","8","1","","Behm, H.","Trimercury Dinitrate Dioxide, Hg3 O2 (N O3)2","Acta Crystallographica C (39,1983-)","1983","39","","1319","1321","","","","","","","","","","","","","","","","","","","","","","has coordinates","162229","2020-10-21","18:00:00",""
"2020154","10.318","","9.737","","14.475","","90","","90","","90","","1454.25","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Th (Mo O4)2","","- Mo2 O8 Th -","- Mo2 O8 Th -","- Mo16 O64 Th8 -","8","1","","Cremers, T.L.; Eller, P.G.; Penneman, R.A.","Orthorombic thorium(IV) molybdate, Th (Mo O4)2","Acta Crystallographica C (39,1983-)","1983","39","","1165","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020178","8.647","","8.807","","24.328","","90","","90","","90","","1852.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li2.08 Ti.92 In1.08 (P O4)3","","- In1.08 Li2.08 O12 P3 Ti0.92 -","- In1.08 Li2 O12 P3 Ti0.92 -","- In8.64 Li16 O96 P24 Ti7.36 -","8","1","","Duc Tran Qui; Hamdoune, S.","Structure of the orthorhombic phase of Li1+x Ti2-x Inx P3 O12, x=1.08","Acta Crystallographica C (39,1983-)","1988","44","","1360","1362","","","","","","","","","","","","","","","","","","","","","","has coordinates","166157","2020-10-21","18:00:00",""
"2020180","7.717","","13.225","","14.549","","90","","90","","90","","1484.83","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cu Fe2 (O H)2 (As O4)2","","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","- As16 Cu8 Fe16 H16 O80 -","8","1","","Effenberger, H.","Structure of copper(II) diiron(III) dihydroxide diarsenate(V)","Acta Crystallographica C (39,1983-)","1988","44","","2041","2043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020229","15.14","","17.402","","17.309","","90","","90","","90","","4560.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S8 (Sb3 F14) (Sb F6)","","- F20 S8 Sb4 -","- F20 S8 Sb4 -","- F160 S64 Sb32 -","8","1","","Faggiani, R.; Gillespie, R.J.; Sawyer, J.F.; Vekris, J.E.","Structures of nonadecasulfur bis(hexafluoroantimonate, octasulfur di-mue-fluoro-dodecafluorotriantimonate hexafluoroantimonate and tetrasulfur di-mue-difluoroantimony muefluoro-tetrafluorodiantimony pentakis(hexafluoroantimonate)","Acta Crystallographica C (39,1983-)","1989","45","","1847","1853","","","","","","","","","","","","","","","","","","","","","","has coordinates","168637","2020-10-21","18:00:00",""
"2020250","10.408","","10.863","","10.192","","90","","90","","90","","1152.33","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mn (H P O4) (H2 O)3","","- H7 Mn O7 P -","- H7 Mn O7 P -","- H56 Mn8 O56 P8 -","8","1","","Cudennec, Y.; Riou, A.; Gerault, Y.","Manganese(II) hydrogenphosphate trihydrate","Acta Crystallographica C (39,1983-)","1989","45","","1411","1412","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020284","19.3847","0.001","9.0716","0.0004","30.3953","0.0012","90","","90","","90","","5345","0.4","170","2","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C224 H320 O48 -","16","2","FN3208","Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D.","Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019919","","","0.71073","MoKα","","0.129","0.0665","","","0.1475","0.1892","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","169874","2020-10-21","18:00:00",""
"2020290","9.8434","0.0002","11.3589","0.0003","26.6986","0.0008","90","","90","","90","","2985.18","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","","- C10 H20 O7 P2 -","- C10 H20 O7 P2 -","- C80 H160 O56 P16 -","8","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0527","0.0464","","","0.0918","0.0944","","","","","","1.136","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020305","9.35","0.0019","15.95","0.003","26.07","0.005","90","","90","","90","","3887.9","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Glycyl-α-aminoisobutyryl-glycyl-α-aminoisobutyric acid <i>tert</i>-butyl ester","","- C16 H30 N4 O5 -","- C16 H30 N4 O5 -","- C128 H240 N32 O40 -","8","1","LG3179","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The first N-terminal unprotected (Gly-Aib)~<i>n~</i> peptide: H-Gly-Aib-Gly-Aib-O<i>t</i>Bu","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022597","","","0.65253","synchrotron","","0.0613","0.059","","","0.1486","0.1505","","","","","","1.111","","","","has coordinates,has Fobs","170590","2020-10-21","18:00:00",""
"2020406","6.4055","0.0014","11.587","0.003","15.805","0.004","90","","90","","90","","1173.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-μ-aqua-[μ~4~-4,4'-diazenediyl-bis(5-oxo-1<i>H</i>-1,2,4-triazolido)]disodium(I)]","","- C4 H10 N8 Na2 O6 -","- C4 H10 N8 Na2 O6 -","- C16 H40 N32 Na8 O24 -","4","0.5","OV3073","Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie","Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one)","Acta Crystallographica Section C","2016","72","2","166","169","10.1107/S2053229616001509","","","0.71073","MoKα","","0.0427","0.0343","","","0.0834","0.0867","","","","","","1.049","","","","has coordinates,has Fobs","177471","2020-10-21","18:00:00",""
"2020448","18.886","0.003","7.9898","0.0015","19.335","0.003","90","","90","","90","","2917.6","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-6,11-dimethyl-6,11-dihydro-5<i>H</i>-\ benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-8-ol","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0835","0.0543","","","0.1147","0.1246","","","","","","1.018","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020476","7.5932","0.0003","7.5859","0.0004","51.01","0.003","90","","90","","90","","2938.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro-1<i>H</i>-1-\ benzazepin-4-ol","","- C18 H18 F N O -","- C18 H18 F N O -","- C144 H144 F8 N8 O8 -","8","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0502","0.045","","","0.1049","0.1077","","","","","","1.087","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020483","11.7012","0.0007","16.2076","0.001","35.285","0.002","90","","90","","90","","6691.7","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C232 H328 Cl8 N16 Ni8 O64 P16 -","8","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0863","0.0569","","","0.1062","0.1156","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","183643","2020-10-21","18:00:00",""
"2020496","20.348","0.003","19.511","0.002","22.6059","0.0018","90","","90","","90","","8974.8","1.8","298","1","298","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)","","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","- C384 H176 F144 P16 Pt8 S16 -","8","1","LY3024","Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo","<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands","Acta Crystallographica Section C","2016","72","4","268","273","10.1107/S2053229616003132","","","0.71073","MoKα","","0.1028","0.0552","","","0.1278","0.1545","","","","","","1.014","","","","has coordinates,has Fobs","182534","2020-10-21","18:00:00",""
"2020563","23.095","0.005","6.843","0.0014","26.222","0.005","90","","90","","90","","4144.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aquabis[μ~3~-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]copper(II)dicopper(I)]","","- C20 H12 Cu3 N6 O9 -","- C20 H12 Cu3 N6 O9 -","- C160 H96 Cu24 N48 O72 -","8","1","EG3205","Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si","A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1<i>H</i>-imidazole-4,5-dicarboxylate","Acta Crystallographica Section C","2016","72","8","","","10.1107/S205322961601161X","","","0.72","synchrotron","","0.0379","0.035","","","0.0996","0.1015","","","","","","1.077","","","","has coordinates,has Fobs","184617","2020-10-21","18:00:00",""
"2020566","14.73","0.006","12.413","0.005","16.464","0.005","90","","90","","90","","3010","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-[(2-Chloroquinolin-3-yl)methylidene]-2-(4-methylphenyl)hydrazine","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C136 H112 Cl8 N24 -","8","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0841","0.0427","","","0.1071","0.1252","","","","","","1.015","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020633","7.9688","0.0005","12.5553","0.0008","32.4903","0.0018","90","","90","","90","","3250.7","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","YP3132","Geiger, David K.; DeStefano, Matthew R.","Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole","Acta Crystallographica Section C","2016","72","11","867","874","10.1107/S2053229616015837","","","0.71073","MoKa","","0.0574","0.0507","","","0.1341","0.1385","","","","","","1.102","","","","has coordinates,has Fobs","188945","2020-10-21","18:00:00",""
"2020682","9.2236","0.0003","13.5704","0.0005","15.86","0.0005","90","","90","","90","","1985.16","0.12","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(2,2,2-Trifluoroethoxy)methyl]pyridinium chloride","","- C8 H9 Cl F3 N O -","- C8 H9 Cl F3 N O -","- C64 H72 Cl8 F24 N8 O8 -","8","1","","Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang","New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts","Acta Crystallographica Section C","2016","72","12","1007","1011","10.1107/S2053229616018428","","","0.71073","MoKα","","0.0309","0.0249","","","0.0592","0.0636","","","","","","1.049","","","","has coordinates,has Fobs","188789","2020-10-21","18:00:00",""
"2020720","19.7282","0.0006","9.7644","0.0003","20.7157","0.0007","90","","90","","90","","3990.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 F4 N3 O2 S -","- C21 H19 F4 N3 O2 S -","- C168 H152 F32 N24 O16 S8 -","8","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0987","0.0581","","","0.1592","0.2102","","","","","","1.117","","","","has coordinates,has Fobs","192748","2020-10-21","18:00:00",""
"2020742","7.6315","0.0004","7.1244","0.0004","38.0925","0.0015","90","","90","","90","","2071.08","0.18","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis(4-arsonoanilinium) tetrachlorocuprate(II)","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]","","- C12 H18 As2 Cl4 Cu N2 O6 -","- C12 H18 As2 Cl4 Cu N2 O6 -","- C48 H72 As8 Cl16 Cu4 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0428","0.0342","","","0.0842","0.0897","","","","","","1.13","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020743","7.5525","0.0004","7.2578","0.0003","38.5872","0.0017","90","","90","","90","","2115.14","0.17","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","catena-[bis(4-arsonoanilinium) tetrachlorocadmate]","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cadmate(II)]]","","- C12 H18 As2 Cd Cl4 N2 O6 -","- C12 H18 As2 Cd Cl4 N2 O6 -","- C48 H72 As8 Cd4 Cl16 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0397","0.0319","","","0.0664","0.0701","","","","","","1.109","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020831","9.6085","0.0004","10.3246","0.0005","27.7296","0.0013","90","","90","","90","","2750.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>-[(4-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0504","0.0499","","","0.1374","0.138","","","","","","1.124","","","","has coordinates,has Fobs","199121","2020-10-21","18:00:00",""
"2020858","6.9132","0.0008","8.9917","0.001","36.898","0.004","90","","90","","90","","2293.6","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thymine‒catechol (1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2-diol (1/1)","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0613","0.0511","","","0.1283","0.1342","","","","","","1.17","","","","has coordinates,has Fobs","199944","2020-10-21","18:00:00",""
"2020898","5.1217","0.0009","9.8397","0.0014","21.914","0.004","90","","90","","90","","1104.4","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","26-DAP","Pyridine-2,6-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","QS3064","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","A new polymorph of 2,6-diaminopyridine","Acta Crystallographica Section C","2017","73","11","990","993","10.1107/S2053229617014978","","","0.71073","MoKα","","0.1189","0.0561","","","0.1204","0.149","","","","","","0.984","","","","has coordinates,has Fobs","205301","2020-10-21","18:00:00",""
"2020917","9.207","0.0002","8.21","0.0002","28.27","0.0007","90","","90","","90","","2136.91","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxypropyl)-3-phenylprop-2-enamide","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0504","0.0397","","","0.0928","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020918","10.627","0.0004","9.249","0.0004","24.623","0.0009","90","","90","","90","","2420.17","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0712","0.0482","","","0.1242","0.1371","","","","","","1.038","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020965","18.4485","0.0004","11.6452","0.0003","19.5931","0.0005","90","","90","","90","","4209.31","0.18","130","4","130","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C216 H192 N16 O16 -","8","1","FN3256","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","0.71073","MoKα","","0.0436","0.0374","","","0.0889","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","205535","2020-10-21","18:00:00",""
"2021023","11.202","0.0019","16.609","0.003","19.85","0.006","90","","90","","90","","3693.2","1.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>,2,6,11-Tetramethyl-<i>N</i>-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-amine","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.1139","0.0564","","","0.0897","0.1094","","","","","","1.087","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021054","13.2054","0.0002","12.4456","0.0002","16.8489","0.0003","90","","90","","90","","2769.1","0.08","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-Bis(dibenzylamino)-3,6-dichloro-<i>p</i>-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C136 H120 Cl8 N8 O8 -","4","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0461","0.0394","","","0.1097","0.1151","","","","","","1.075","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021063","15.0087","0.0016","13.8489","0.0013","19.52","0.002","90","","90","","90","","4057.3","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxybenzophenone","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.1027","0.0465","","","0.1038","0.1307","","","","","","1.005","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021080","10.1342","0.0014","17.938","0.002","28.071","0.004","90","","90","","90","","5103","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ-5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ-1,2-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","","- C22 H16 Br3 Co N5 O4 -","- C22 H16 Br3 Co N5 O4 -","- C176 H128 Br24 Co8 N40 O32 -","8","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.077","0.0346","","","0.0574","0.066","","","","","","0.999","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021082","9.5097","0.0013","17.921","0.002","20.011","0.003","90","","90","","90","","3410.3","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C144 H128 F24 N24 O8 -","8","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0644","0.0372","","","0.0964","0.1135","","","","","","1.016","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021090","19.0566","0.0008","15.5255","0.001","24.0975","0.0014","90","","90","","90","","7129.6","0.7","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyllead(IV)]-μ-chlorido-[triphenyllead(IV)]-μ-dimethylarsinato-κ^2^<i>O</i>:<i>O</i>']","","- C38 H36 As Cl O2 Pb2 -","- C38 H36 As Cl O2 Pb2 -","- C304 H288 As8 Cl8 O16 Pb16 -","8","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0635","0.0398","","","0.0741","0.079","","","","","","1.048","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021105","13.9163","0.0005","20.4248","0.0007","23.0316","0.0008","90","","90","","90","","6546.4","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Octakis(μ~3~-benzyloxo-κ<i>O</i>:κ<i>O</i>:κ<i>O</i>)hexaethylheptazinc","","- C68 H86 O8 Zn7 -","- C68 H86 O8 Zn7 -","- C272 H344 O32 Zn28 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0334","0.0239","","","0.0517","0.0548","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021130","6.7095","0.0003","13.7764","0.0006","30.7205","0.0015","90","","90","","90","","2839.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Theophylline‒3,4-dihydroxybenzoic acid (1/1)","1,3-Dimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione‒\ 3,4-dihydroxybenzoic acid (1/1)","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","RH3004","Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas","Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006861","","","0.71073","MoKα","","0.1007","0.0478","","","0.1007","0.1229","","","","","","0.999","","","","has coordinates,has Fobs","207943","2020-10-21","18:00:00",""
"2021163","20.6531","0.0014","9.5629","0.0007","22.4489","0.0016","90","","90","","90","","4433.7","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Xanthenedione","9-(5-Bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C192 H216 Br8 O32 -","8","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.1421","0.0572","","","","0.13","","","","","","0.994","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021176","12.387","0.003","14.684","0.003","20.016","0.004","90","","90","","90","","3640.7","1.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-<i>trans</i>-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^)cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C160 H120 Cd8 N24 O40 -","8","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0235","0.0201","","","0.0513","0.0536","","","","","","1.137","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021212","7.5749","0.0002","13.4138","0.0004","46.3793","0.0014","90","","90","","90","","4712.5","0.2","120","2","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^-(2-Nitrophenyl)-<i>N</i>^2^,<i>N</i>^2^-bis[2-[(2-nitroanilino)ethyl]ethane-1,2-diamine","","- C24 H27 N7 O6 -","- C24 H27 N7 O6 -","- C192 H216 N56 O48 -","8","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.033","0.0314","","","0.078","0.0791","","","","","","1.063","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021278","16.1062","0.0017","26.512","0.003","45.569","0.005","90","","90","","90","","19458","4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H152.95 Al Mo6 N5 O32.73 -","- C73 H152.952 Al Mo6 N5 O32.726 -","- C584 H1223.62 Al8 Mo48 N40 O261.808 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0766","0.0656","","","0.1392","0.1436","","","","","","1.238","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021279","21.8904","0.0006","23.9848","0.0006","37.719","0.001","90","","90","","90","","19803.9","0.9","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H150 Al Cl Mo6 N5 O36 -","- C71 H150 Al Cl Mo6 N5 O36 -","- C568 H1200 Al8 Cl8 Mo48 N40 O288 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0367","0.029","","","0.0708","0.0754","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021312","7.3584","0.0005","7.2979","0.0005","37.576","0.002","90","","90","","90","","2017.9","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Fluorophenyl)carbonyl]morpholine","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C88 H96 F8 N8 O16 -","8","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0995","0.0459","","","0.0707","0.0852","","","","","","0.969","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021355","15.9624","0.0012","15.8047","0.0011","32.747","0.002","90","","90","","90","","8261.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κ<i>N</i>^7^)bis(tetrahydrofuran-κ<i>O</i>)iron(II)","","- C48 H52 Fe N6 O2 -","- C48 H52 Fe N6 O2 -","- C384 H416 Fe8 N48 O16 -","8","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.0639","0.0427","","","0.1009","0.111","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","212004","2020-10-21","18:00:00",""
"2021415","12.3448","0.0014","9.9435","0.0013","16.9904","0.0019","90","","90","","90","","2085.6","0.4","100","2","99.98","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Propylenediaminium ethylenedinitramine","Propane-1,3-diaminium (ethane-1,2-diyl)bis(nitroazanide)","","- C5 H16 N6 O4 -","- C5 H16 N6 O4 -","- C40 H128 N48 O32 -","8","1","WQ3142","Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine","Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties","Acta Crystallographica Section C","2019","75","1","54","60","10.1107/S2053229618017588","","","0.71073","MoKα","","0.0737","0.0461","","","0.1022","0.1147","","","","","","1.016","","","","has coordinates,has Fobs","213460","2020-10-21","18:00:00",""
"2021477","16.7332","0.0008","8.2012","0.0003","28.0902","0.0013","90","","90","","90","","3854.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3c","Dibenzyl [hydroxy(4-methylphenyl)methyl]phosphonate","","- C22 H23 O4 P -","- C22 H23 O4 P -","- C176 H184 O32 P8 -","8","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0938","0.0556","","","0.1275","0.1501","","","","","","1.021","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021532","8.898","0.0005","13.0356","0.0008","46.455","0.003","90","","90","","90","","5388.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyldimethyl{3-[(1-oxotetradecyl)amino]propyl}ammonium chloride monohydrate","","- C26 H49 Cl N2 O2 -","- C26 H49 Cl N2 O2 -","- C208 H392 Cl8 N16 O16 -","8","1","CU3137","Dolgushin, Fedor M.; Goloveshkin, Alexander S.; Ananyev, Ivan V.; Osintseva, Svetlana V.; Torubaev, Yury V.; Krylov, Sergey S.; Golub, Alexandre S.","Interplay of noncovalent interactions in antiseptic quaternary ammonium surfactant Miramistin","Acta Crystallographica Section C","2019","75","4","402","411","10.1107/S2053229619002961","","","0.71073","MoKα","","0.0723","0.0471","","","0.1061","0.1224","","","","","","1.041","","","","has coordinates,has Fobs","214916","2020-10-21","18:00:00",""
"2021574","26.3241","0.0004","7.1612","0.0001","33.8433","0.0005","90","","90","","90","","6379.87","0.16","300","2","300.39","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Benzoylmetronidazole‒resorcinol (2/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒resorcinol (2/1)","","- C32 H32 N6 O10 -","- C32 H32 N6 O10 -","- C256 H256 N48 O80 -","8","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0579","0.0484","","","0.1329","0.1466","","","","","","1.033","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021584","9.79942","0.0001","15.51827","0.00019","21.7339","0.0002","90","","90","","90","","3305.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')bis(tricarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C12 H10 O10 Os2 -","- C12 H10 O10 Os2 -","- C96 H80 O80 Os16 -","8","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.0187","0.0175","","","0.0385","0.0391","","","","","","1.034","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021592","10.51085","0.00016","22.2419","0.0005","28.8403","0.0005","90","","90","","90","","6742.3","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-(<i>E</i>)-2-({[3-(diethylamino)propyl]imino}methyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II) perchlorate","","- C32 H41 Cl Cu2 N4 O8 -","- C32 H41 Cl Cu2 N4 O8 -","- C256 H328 Cl8 Cu16 N32 O64 -","8","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.12","0.0527","","","0.1031","0.1349","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","215664","2020-10-21","18:00:00",""
"2021655","13.0369","0.0008","13.0804","0.0007","16.2223","0.0008","90","","90","","90","","2766.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C136 H88 N24 O16 -","8","1","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.0778","0.0532","","","0.1481","0.1697","","","","","","1.067","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021718","22.1247","0.0017","8.7081","0.0008","18.2738","0.0015","90","","90","","90","","3520.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Lesinurad","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid","","- C17 H14 Br N3 O2 S -","- C17 H14 Br N3 O2 S -","- C136 H112 Br8 N24 O16 S8 -","8","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.9246","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021772","12.251","0.005","7.457","0.003","20.863","0.006","90","","90","","90","","1906","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Hydroxyphenyl)-6-methyl-1<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","YP3193","Fusco, Sandra; Capasso, Domenica; Centore, Roberto; Di Gaetano, Sonia; Parisi, Emmanuele","A new biologically active molecular scaffold: crystal structure of 7-(3-hydroxyphenyl)-4-methyl-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole and selective antiproliferative activity of three isomeric triazolo‒triazoles","Acta Crystallographica Section C","2019","75","10","1398","1404","10.1107/S2053229619012403","","x-ray","0.71073","MoKα","","0.1076","0.0557","","","0.1014","0.1183","","","","","","1.065","","","","has coordinates,has Fobs","225384","2020-10-21","18:00:00",""
"2021831","20.8602","0.0003","8.76477","0.00012","34.5299","0.0007","90","","90","","90","","6313.27","0.18","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate dihydrate","","- C34 H32 Cl2 N2 O8 -","- C34 H32 Cl2 N2 O8 -","- C272 H256 Cl16 N16 O64 -","8","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0565","0.0427","","","0.1082","0.1189","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021838","12.6186","0.0005","27.239","0.0011","30.2461","0.0011","90","","90","","90","","10396.1","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-5,20-dibenzyl-1,5,9,16,20,24-hexaazapentacyclo[22.6.1.1^9,16^.0^10,15^.0^25,30]dotriaconta-10(15),11,13,25(30),26,28-hexaene-31,32-diylidene]bis{bromido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)}","","- C56 H70 Br2 Ir2 N6 -","- C56 H70 Br2 Ir2 N6 -","- C448 H560 Br16 Ir16 N48 -","8","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.1057","0.0774","","","0.2145","0.2369","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","242994","2020-10-21","18:00:00",""
"2021848","10.6325","0.0002","14.7734","0.0002","21.7751","0.0004","90","","90","","90","","3420.39","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-Methoxyphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 O -","- C23 H18 O -","- C184 H144 O8 -","8","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.052","0.0433","","","0.1047","0.11","","","","","","1.041","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021871","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(dipropylthiocarbamoyl)disulfide","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X.","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C Crystal Structure Communications","1999","55","4","573","","10.1107/S010827019801573X","","","0.71073","MoKα","","0.078","0.051","","","","0.143","","","","","","1.06","","","","has coordinates","246031","2020-10-21","18:00:00",""
"2021922","9.1905","0.0018","8.0558","0.0017","14.564","0.003","90","","90","","90","","1078.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 F4 N4 -","- C12 F4 N4 -","- C48 F16 N16 -","4","0.5","","Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab","Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","1","71","","10.1107/S2052520618017109","","","0.71073","MoKα","","0.1403","0.0708","","","0.1147","0.133","","","","","","1.119","","","","has coordinates","246120","2020-10-21","18:00:00",""
"2021949","8.517","0.0002","10.019","0.0002","32.323","0.0007","90","","90","","90","","2758.18","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound X","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","","0.71073","MoKα","","0.0655","0.0434","","","0.0862","0.0953","","","","13.639","13.639","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021968","7.185","0.003","12.917","0.006","13.697","0.006","90","","90","","90","","1271.2","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0434","0.0416","","","0.1149","0.1165","","","","","","1.107","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2022014","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0219","0.0219","","","0.0552","0.0552","","","","","","1.038","","","","has coordinates","250593","2020-10-21","18:00:00",""
"2022017","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0322","0.0269","","","0.0652","0.0674","","","","","","1.108","","","","has coordinates","250596","2020-10-21","18:00:00",""
"2022024","12.925","0.003","8.273","0.002","23.954","0.005","90","","90","","90","","2561.4","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0369","0.031","","","0.082","0.0856","","","","","","1.0595","","","","has coordinates","250603","2020-10-21","18:00:00",""
"2022039","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0275","0.0275","","","0.0677","0.0677","","","","","","1.0758","","","","has coordinates","250618","2020-10-21","18:00:00",""
"2022047","8.3222","0.0002","9.5441","0.0002","27.0123","0.0006","90","","90","","90","","2145.53","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0149","0.0149","","","0.0367","0.0367","","","","","","1.0616","","","","has coordinates","250626","2020-10-21","18:00:00",""
"2022057","8.977","0.007","9.186","0.007","10.003","0.007","90","","90","","90","","824.9","1.1","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 N O3 P -","- C H6 N O3 P -","- C8 H48 N8 O24 P8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0192","","","0.0435","0.0465","","","","","","1.1385","","","","has coordinates","250636","2020-10-21","18:00:00",""
"2022156","17.5058","0.0014","8.8163","0.0006","21.2092","0.0016","90","","90","","90","","3273.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C168 H120 N8 O16 S8 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0546","0.0378","","","0.0818","0.092","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252950","2020-10-21","18:00:00",""
"2022162","11.5455","0.0006","11.8865","0.0006","25.3868","0.0012","90","","90","","90","","3484","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate","","- C10 H25 Cl2 Co N6 O7 -","- C10 H25 Cl2 Co N6 O7 -","- C80 H200 Cl16 Co8 N48 O56 -","8","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0949","0.0492","","","0.0768","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022231","13.273","0.0016","14.8012","0.0016","20.137","0.002","90","","90","","90","","3956","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-benzoyl-2-methyl-4-(3-methylstyryl)quinoline","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.144","0.1172","","","0.1909","0.2005","","","","","","1.303","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022242","26.26089","0.00017","12.39989","0.00008","29.17764","0.00019","90","","90","","90","","9501.18","0.11","149.7","0.8","149.7","0.8","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C432 H416 B8 Co8 N56 S16 -","8","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0403","0.0356","","","0.0893","0.092","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022257","7.1293","0.0004","18.8368","0.0011","34.752","0.002","90","","90","","90","","4667","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Poly[(μ~2~-4-amino-2-methyl-5-methoxyazobenzene-2',4'-disulfonato)di-μ-aqua-diaquabarium(II)] dihydrate]","Poly[[{μ~2~-4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate]","","- C14 H25 Ba N3 O13 S2 -","- C14 H25 Ba N3 O13 S2 -","- C112 H200 Ba8 N24 O104 S16 -","8","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0621","0.042","","","0.0877","0.0957","","","","","","1.146","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022293","12.2191","0.0013","8.1593","0.0009","22.788","0.002","90","","90","","90","","2271.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C96 H88 N40 O8 -","8","1","QF3045","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.","Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2021","77","1","20","28","10.1107/S2053229620015508","","","0.71073","MoKα","","0.085","0.0539","","","0.1326","0.1583","","","","","","1.046","","","","has coordinates,has Fobs","261802","2021-02-05","14:54:11",""
"2022298","6.921","0.0009","7.2371","0.0017","42.396","0.008","90","","90","","90","","2123.5","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C88 H80 N16 O16 S8 -","8","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.09","0.0561","","","0.1291","0.146","","","","","","1.044","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022439","8.5853","0.0005","11.6911","0.0007","23.4148","0.0017","90","","90","","90","","2350.2","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Thiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1)","","- C7 H4 F4 I2 N2 S -","- C7 H4 F4 I2 N2 S -","- C56 H32 F32 I16 N16 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0458","","","","","","1.105","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:23",""
"2022455","8.6153","0.0006","9.3766","0.0005","29.173","0.002","90","","90","","90","","2356.7","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Bromotryptammonium chloride","2-(5-Bromo-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Br Cl N2 -","- C10 H12 Br Cl N2 -","- C80 H96 Br8 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0622","0.0473","","","0.0897","0.0964","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022457","8.6708","0.0004","9.6684","0.0005","25.6854","0.0012","90","","90","","90","","2153.28","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Fluorotryptammonium chloride","2-(5-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0492","0.0411","","","0.0937","0.0992","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022459","8.3572","0.0004","10.3493","0.0005","24.3824","0.0013","90","","90","","90","","2108.86","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-Fluorotryptammonium chloride","2-(6-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0424","0.0368","","","0.0891","0.0928","","","","","","1.147","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022460","9.1893","0.0005","9.3259","0.0004","27.5149","0.0015","90","","90","","90","","2358","0.2","297","2","297.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-Methyltryptammonium chloride","2-(7-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C88 H120 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0538","0.039","","","0.0837","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022488","15.8897","0.0003","10.9845","0.0002","16.8393","0.0003","90","","90","","90","","2939.14","0.09","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzoylpyridine 4-ethylthiosemicarbazone","(<i>E</i>)-<i>N</i>-Ethyl-2-[phenyl(pyridin-4-yl)methylidene]hydrazine-1-carbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C120 H128 N32 S8 -","8","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.0557","0.0403","","","0.1012","0.1102","","","","","","1.037","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:26",""
"2022544","16.208","0.008","14.849","0.008","18.052","0.009","90","","90","","90","","4345","4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","9,10,20,21-Tetrahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>][1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione","8,11,21,24,29-Pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C192 H224 N16 O56 -","8","1","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0837","0.0583","","","0.142","0.1726","","","","","","1.033","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022603","8.77","0.002","11.658","0.003","23.843","0.006","90","","90","","90","","2437.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 1 (s21_30)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium chloride","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C88 H136 Cl8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0565","0.0419","","","0.1024","0.1124","","","","","","1.047","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:25",""
"2022604","8.859","0.004","12.038","0.005","23.805","0.01","90","","90","","90","","2538.7","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 2 (s20_37)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium bromide","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C88 H136 Br8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0574","0.0367","","","0.0877","0.0993","","","","","","1.035","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:26",""
"2022606","6.9163","0.0004","12.5609","0.0008","19.9264","0.0012","90","","90","","90","","1731.11","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,9,14,18-Tetramethyl-1,4,10,13-tetraazacyclooctadeca-5,8,14,17-tetraene-7,16-dione","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C72 H112 N16 O8 -","4","0.5","DG3026","Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G.","Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004582","","","0.71073","MoKα","","0.04","0.0347","","","0.0899","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","275474","2022-05-17","01:43:02",""
"2022633","9.5119","0.0003","9.6885","0.0004","21.8439","0.0008","90","","90","","90","","2013.05","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Chloro-<i>N</i>-(<i>p</i>-tolyl)propanamide","2-Chloro-<i>N</i>-(4-methylphenyl)propanamide","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C80 H96 Cl8 N8 O8 -","8","1","DS2252","Jones, Roderick C.; Twamley, Brendan","Structure of 2-chloro-N-(p-tolyl)propanamide","Acta Crystallographica, Section E: Crystallographic Communications","2018","74","11","1584","1588","10.1107/s2056989018013889","","x-ray","1.54178","CuKα","","0.039","0.0382","","","0.1026","0.1034","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","276693","2022-07-06","21:28:09",""
"2022634","9.5053","0.0006","9.6793","0.0005","21.838","0.0013","90","","90","","90","","2009.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C80 H96 Cl8 N8 O8 -","8","1","DS2252","Jones, Roderick C.; Twamley, Brendan","Structure of 2-chloro-N-(p-tolyl)propanamide","Acta Crystallographica, Section E: Crystallographic Communications","2018","74","11","1584","1588","10.1107/s2056989018013889","","x-ray","0.71073","MoKα","","0.0517","0.0371","","","0.0821","0.0889","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","276694","2022-07-06","21:28:21",""
"2022678","9.935","0.0003","17.5133","0.0007","21.4662","0.0008","90","","90","","90","","3735","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1<i>H</i>-pyrazol-5-yl}-2,2,2-trifluoroacetamide","","- C15 H8 Cl2 F6 N4 O S -","- C15 H8 Cl2 F6 N4 O S -","- C120 H64 Cl16 F48 N32 O8 S8 -","8","1","TX2059","Priyanka, Prabhakar; Jayanna, Bidarur K.; Sunil Kumar, Yelekere C.; Shreenivas, Mellekatte T.; Srinivasa, Gejjelegere R.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide","Acta Crystallographica Section E Crystallographic Communications","2022","78","11","","","10.1107/S2056989022009653","","","0.71073","MoKα","","0.0292","0.0257","","","0.0626","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","278354","2022-10-05","01:57:24",""
"2022695","11.0392","0.0002","8.1756","0.0002","23.3673","0.0004","90","","90","","90","","2108.95","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 I2 N2 S -","- C8 H4 I2 N2 S -","- C64 H32 I16 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0293","0.0262","","","0.0691","0.0709","","","","","","1.088","","","","has coordinates","279171","2022-11-10","02:47:44",""
"2022696","11.1945","0.0005","7.1006","0.0003","25.4725","0.0009","90","","90","","90","","2024.75","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-bromophenyl)-1,3,4-selenadiazole","","- C8 H4 Br2 N2 Se -","- C8 H4 Br2 N2 Se -","- C64 H32 Br16 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0531","0.0442","","","0.104","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:47",""
"2022697","11.1735","0.0004","7.1222","0.0002","26.1875","0.0008","90","","90","","90","","2084","0.11","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-selenadiazole","","- C8 H4 Br I N2 Se -","- C8 H4 Br I N2 Se -","- C64 H32 Br8 I8 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0656","0.0697","","","","","","1.082","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022698","10.9919","0.0002","6.9945","0.0001","26.4076","0.0004","90","","90","","90","","2030.29","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 Br I N2 S -","- C8 H4 Br I N2 S -","- C64 H32 Br8 I8 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0229","0.021","","","0.0509","0.0517","","","","","","1.07","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022713","16.2967","0.0009","6.0887","0.0002","28.4139","0.0015","90","","90","","90","","2819.4","0.2","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium 2,2,2-trifluoroacetate","","- C13 H17 F3 N2 O3 -","- C13 H17 F3 N2 O3 -","- C104 H136 F24 N16 O24 -","8","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0403","0.0336","","","0.0825","0.0871","","","","","","1.049","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022725","16.7576","0.0006","16.3223","0.0007","19.2416","0.0008","90","","90","","90","","5263","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(12<i>E</i>)-12-(4-Benzylidene)-7,7,16-trimethyl-3-(4-methylphenyl)-1-oxa-16-azatetracyclo[11.2.1.0^2,11^.0^4,9^]hexadeca-2(11),4(9)-dien-5-one","","- C32 H35 N O2 -","- C32 H35 N O2 -","- C256 H280 N8 O16 -","8","1","ZN2026","Meenatchi, C. Selva; Vishnupriya, R.; Suresh, J.; Rubina, S. Raja; Selvanayagam, S.; Bhandari, S. R.","Crystal structures of (12<i>E</i>)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one and (12<i>E</i>)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","392","396","10.1107/S205698902300275X","","","0.71073","MoKα","","0.1017","0.0593","","","0.159","0.2134","","","","","","1.04","","","","has coordinates,has Fobs","283586","2023-05-06","10:46:36",""
"2022733","10.0531","0.0002","17.3479","0.0004","34.3141","0.0005","90","","90","","90","","5984.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(isoselenocyanato-κ<i>N</i>)tetrakis(4-methoxypyridine-κ<i>N</i>)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","1","PK2678","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of bis(isoselenocyanato-κN)tetrakis(4-methoxypyridine-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","3","216","220","10.1107/S2056989023001391","","","0.71073","MoKα","","0.0452","0.0376","","","0.0834","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","282431","2023-04-05","16:09:24",""
"2022760","13.7925","0.0003","7.2652","0.0001","19.7956","0.0004","90","","90","","90","","1983.62","0.06","193.15","","193.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","VM2281","Hong, Dabeen; Lee, Kyounghoon","Polymorphic structures of 3-phenyl-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","534","537","10.1107/S2056989023003961","","","0.71073","MoKα","","0.0438","0.0391","","","0.0955","0.0989","","","","","","1.018","","","","has coordinates,has Fobs","285049","2023-07-06","18:17:44",""
"2022762","6.7886","0.0013","16.6007","0.0003","26.9563","0.0008","90","","90","","90","","3037.9","0.6","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-[(4-Fluorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C18 H16 F N3 O -","- C18 H16 F N3 O -","- C144 H128 F8 N24 O8 -","8","1","","Shankar, M. G.; Kumaravel, R.; Subashini, A.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Stoeckli-Evans, Helen","Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: (<i>E</i>)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and (<i>E</i>)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","538","544","10.1107/S2056989023004085","","","0.71073","MoKα","","0.0613","0.0419","","","0.0915","0.1008","","","","","","1.048","","","","has coordinates,has Fobs","285052","2023-07-06","18:18:23",""
"2022801","13.9764","0.0007","17.8228","0.0009","23.059","0.0011","90","","90","","90","","5744","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>R</i>)-4-Bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrole","","- C26 H24 Br2 N4 O8 S2 -","- C26 H24 Br2 N4 O8 S2 -","- C208 H192 Br16 N32 O64 S16 -","8","1","VM2284","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1H-pyrrole, another ostensible by-product in the synthesis of geminal-dimethyl hydrodipyrrins","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004644","","x-ray","1.54178","CuKα","","0.0305","0.0304","","","0.0795","0.0795","","","","","","1.081","","","","has coordinates,has Fobs","284701","2023-06-29","15:55:47",""
"2022807","11.7044","0.0017","7.8531","0.001","38.253","0.005","90","","90","","90","","3516.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide; benzoic acid","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","EX2072","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005698","","x-ray","0.71073","MoKα","","0.0584","0.0537","","","0.1102","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","284812","2023-07-05","02:14:41",""
"2022888","13.70079","0.00019","7.16238","0.0001","25.8688","0.0004","90","","90","","90","","2538.51","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone form IV","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C112 H144 N16 O32 -","16","2","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0519","0.0415","","","0.1098","0.1167","","","","","","1.055","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:31",""
"2022891","9.4231","0.0001","10.3938","0.0001","24.7171","0.0003","90","","90","","90","","2420.84","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone-Catechol (1:1)","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0623","0.0442","","","0.0984","0.1069","","","","","","1.035","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:39",""
"2022896","6.9983","0.0002","18.4416","0.0006","28.896","0.0008","90","","90","","90","","3729.31","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(Deferiprone) phloroglucinol (2:1)","","","- C20 H24 N2 O7 -","- C20 H24 N2 O7 -","- C160 H192 N16 O56 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.1045","0.0565","","","0.0998","0.115","","","","","","1.041","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022909","13.3292","0.0006","11.1365","0.0005","28.5973","0.0012","90","","90","","90","","4245","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Anthracen-9-yl)-1-(<i>tert</i>-butyldimethylsilyl)-3,6-dihydro-1λ^4^,2λ^4^-azaborinine","","- C24 H30 B N Si -","- C24 H30 B N Si -","- C192 H240 B8 N8 Si8 -","8","1","VM2290","Gliese, Philipp J.; Appiarius, Yannik; Scheele, Tarek; Lork, Enno; Neudecker, Tim; Staubitz, Anne","Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(<i>tert</i>-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ<sup>4</sup>,2λ<sup>4</sup>-aza-borinine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1012","1016","10.1107/S2056989023008381","","x-ray","0.71073","MoKα","","0.0541","0.0421","","","0.098","0.1033","","","","","","1.068","","","","has coordinates,has Fobs","288144","2023-12-07","11:50:58",""
"2022910","14.804","0.0011","12.4631","0.0006","19.4486","0.0008","90","","90","","90","","3588.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bromido(pyrrolidine-κ<i>N</i>)gold(I) bis(pyrrolidine-κ<i>N</i>)gold(I) bromide","","- C12 H27 Au2 Br2 N3 -","- C12 H27 Au2 Br2 N3 -","- C96 H216 Au16 Br16 N24 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.082","0.0512","","","0.1161","0.1298","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","288153","2023-12-07","11:52:48",""
"2022960","28.4313","0.0007","7.6516","0.0002","29.5461","0.0009","90","","90","","90","","6427.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis{<i>N</i>-[(4-methoxyphenyl)imino]pyrrolidine-1-carboxamide}zinc(II) (acetonitrile)trichloridozincate","","- C26 H33 Cl4 N7 O4 Zn2 -","- C26 H33 Cl4 N7 O4 Zn2 -","- C208 H264 Cl32 N56 O32 Zn16 -","8","1","YY2008","Tiwari, Laxmi; Waynant, Kristopher V.","The synthesis and structural properties of a chlorido-bis-{<i>N</i>-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","14","17","10.1107/S2056989023010447","","x-ray","0.71073","MoKα","","0.0673","0.0457","","","0.0953","0.1039","","","","","","1.151","","","","has coordinates,has Fobs","289695","2024-02-05","12:09:04",""
"2022986","8.8689","0.0004","8.4361","0.0003","21.7319","0.0009","90","","90","","90","","1625.96","0.12","250","0.5","250","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0607","0.0411","","","0.0927","0.1015","","","","","","1.08","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:33",""
"2022988","10.4638","0.0003","13.4495","0.0004","13.734","0.0004","90","","90","","90","","1932.83","0.1","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","1","WM5706","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0265","0.0251","","","0.0702","0.0705","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:50",""
"2023026","12.255","0.003","15.694","0.003","21.903","0.004","90","","90","","90","","4212.6","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C184 H216 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0697","0.0504","","","0.1192","0.1284","","","","","","1.025","","","","has coordinates,has Fobs","291117","2024-04-05","23:42:40",""
"2023027","12.4094","0.0008","15.9871","0.0012","21.9629","0.0015","90","","90","","90","","4357.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C192 H232 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0874","0.0588","","","0.1474","0.1632","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:40",""
"2023045","16.8662","0.0015","12.8555","0.0011","18.7561","0.0016","90","","90","","90","","4066.8","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","13203z","1-{4-[Bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","NX2005","Bader, Mamoun M.; Pham, Phuong-Truc","Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","339","342","10.1107/S2056989024001804","","","0.71073","MoKα","","0.0902","0.0482","","","0.1032","0.1245","","","","","","1.019","","","","has coordinates","291122","2024-04-05","23:43:24",""
"2023076","12.407","0.0009","17.425","0.0014","17.5276","0.0012","90","","90","","90","","3789.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-2-{<i>N</i>-[2-(piperidine-1-sulfonyl)phenyl]carboximidoyl}phenol","","- C18 H19 Br N2 O3 S -","- C18 H19 Br N2 O3 S -","- C144 H152 Br8 N16 O24 S8 -","8","1","EF3052","Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer","Acta Crystallographica Section C Structural Chemistry","2024","80","4","129","142","10.1107/S205322962400233X","","","0.71073","MoKα","","0.097","0.0624","","","0.1513","0.1724","","","","","","1.087","","","","has coordinates","290710","2024-03-29","03:01:07",""
"2023085","12.5716","0.0006","8.394","0.0003","20.3319","0.0007","90","","90","","90","","2145.54","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trichlorido(4-methylpiperidine)gold(III)","","- C6 H13 Au Cl3 N -","- C6 H13 Au Cl3 N -","- C48 H104 Au8 Cl24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0426","0.0242","","","0.0383","0.0419","","","","","","1.046","","","","has coordinates","291289","2024-04-19","04:39:37",""
"2023087","12.6471","0.0005","8.7247","0.0003","21.0262","0.0007","90","","90","","90","","2320.08","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C48 H104 Au8 Br24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.052","0.0294","","","0.0388","0.0429","","","","","","1.035","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2100009","11.6899","0.0006","14.9843","0.0008","19.2115","0.0009","90","","90","","90","","3365.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne)dichlorocopper(II) emerald green form","","- C16 H16 Cl2 Cu N4 -","- C16 H16 Cl2 Cu N4 -","- C128 H128 Cl16 Cu8 N32 -","8","1","AV5023","Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.","Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)","Acta Crystallographica Section B","2005","61","2","164","173","10.1107/S010876810403294X","","","0.71073","MoKα","","0.0614","0.0323","","","0.0834","0.0984","","","","","","0.862","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100012","12.9628","0.0019","12.0803","0.0018","13.61","0.002","90","","90","","90","","2131.3","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cr N -","- C14 H13 Cr N -","- C112 H104 Cr8 N8 -","8","1","AV5032","Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.","Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring","Acta Crystallographica Section B","2005","61","3","304","311","10.1107/S0108768105008797","","","0.71073","MoKα","","0.0922","0.0589","","","0.1324","0.1431","","","","","","1.054","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100339","5.0741","0.001","9.7594","0.001","13.305","0.002","90","","90","","90","","658.87","0.18","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cyclopropylamine","","","- C3 H7 N -","- C3 H7 N -","- C24 H56 N8 -","8","1","WS5029","Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon","Pressure-induced polymorphism in cyclopropylamine","Acta Crystallographica Section B","2005","61","6","717","723","10.1107/S0108768105026327","","","0.71073","MoKα","","0.0479","0.0417","","","0.0896","0.0956","","","","","","1.176","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100348","7.287","0.006","9.2","0.02","6.688","0.009","90","","90","","90","","448.4","1.2","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.2023","0.053","","","0.1097","0.1355","","","","","","1.03","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100349","7.221","0.004","9.05","0.02","6.59","0.005","90","","90","","90","","430.7","1","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.1754","0.1418","","","0.2351","0.2476","","","","","","1.013","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100350","7.243","0.003","9.31","0.017","6.756","0.003","90","","90","","90","","455.6","0.9","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.1316","0.1316","","","0.2949","0.2949","","","","","","1.295","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100537","10.6597","0.0002","25.9833","0.0003","9.2044","0.0006","90","","90","","90","","2549.38","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Iodophenyl)-2-chloronicotinamide","","- C12 H8 Cl I N2 O -","- C12 H8 Cl I N2 O -","- C96 H64 Cl8 I8 N16 O8 -","8","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0354","0.0227","","","0.0519","0.0561","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100554","10.568","0.007","11.257","0.007","28.79","0.02","90","","90","","90","","3425","4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H10 N2 O Se -","- C7 H10 N2 O Se -","- C112 H160 N32 O16 Se16 -","16","2","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.6775","synchrotron","","0.21","0.173","","","0.387","0.408","","","","","","1.18","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100680","14.238","0.0003","14.3109","0.0003","16.8047","0.0003","90","","90","","90","","3424.1","0.12","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0721","0.0562","","","0.1123","0.1318","","","","","","1.351","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100780","9.114","0.002","23.933","0.004","11.034","0.004","90","","90","","90","","2406.8","1.1","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","1","LI0111","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Schagen, J. D.","Structures of three biologically active conjugates of ω-amino acids and plant growth hormone (auxin)","Acta Crystallographica Section B","1992","48","3","297","302","10.1107/S0108768191014155","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100849","22.312","0.011","11.51","0.01","18.744","0.009","90","","90","","90","","4814","5","","","","","","","","","","","","4","P b c a","","","","","","- C31 H23 N2 P -","- C31 H23 N2 P -","- C248 H184 N16 P8 -","8","1","LI0116","Bethell, D.; Brown, M. P.; Harding, M. M.; Herbert, C. A.; Khodaei, M. M.; Rios, M. I.; Woolstencroft, K.","Structures of three diaryl-substituted triphenylphosphazines","Acta Crystallographica Section B","1992","48","5","683","687","10.1107/S0108768192001393","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100864","10.804","0.003","13.007","0.004","10.381","0.002","90","","90","","90","","1458.8","0.7","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H2 F2 N2 O4 -","- C6 H2 F2 N2 O4 -","- C48 H16 F16 N16 O32 -","8","1","AS0604","Kubota, M.; Ohba, S.","Electron-density distribution in fluorobenzene derivatives","Acta Crystallographica Section B","1992","48","6","849","854","10.1107/S0108768192006062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100867","14.608","0.005","15.757","0.006","5.303","0.002","90","","90","","90","","1220.6","0.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H5 Cl F N -","- C6 H5 Cl F N -","- C48 H40 Cl8 F8 N8 -","8","1","AS0604","Kubota, M.; Ohba, S.","Electron-density distribution in fluorobenzene derivatives","Acta Crystallographica Section B","1992","48","6","849","854","10.1107/S0108768192006062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100880","33.642","0.004","15.951","0.001","6.785","0.001","90","","90","","90","","3641","0.7","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H22 N2 O6 S2 -","- C15 H22 N2 O8 S2 -","- C120 H176 N16 O64 S16 -","8","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101004","13.9347","0.0007","9.6794","0.0006","25.962","0.001","90","","90","","90","","3501.7","0.3","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 Cl N3 O2 -","- C21 H14 Cl N3 O2 -","- C168 H112 Cl8 N24 O16 -","8","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101005","10.2078","0.0004","10.237","0.001","35.676","0.003","90","","90","","90","","3728","0.5","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199437","2020-10-21","18:00:00",""
"2101032","17.012","0.002","21.042","0.002","7.6465","0.0006","90","","90","","90","","2737.2","0.5","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","CR0438","Desiraju, G. R.; Kashino, S.; Coombs, M. M.; Glusker, J. P.","C‒H···O packing motifs in some cyclopenta[<i>a</i>]phenanthrenes","Acta Crystallographica Section B","1993","49","5","880","892","10.1107/S0108768193001703","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101092","7.36","0.002","7.469","0.003","33.061","0.007","90","","90","","90","","1817.4","1","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101144","9.4685","0.0009","16.497","0.002","9.7677","0.0008","90","","90","","90","","1525.7","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C64 H56 F8 O24 -","8","1","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101193","17.716","0.002","15.298","0.002","13.21","0.003","90","","90","","90","","3580.2","1","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C20 H22 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","BR0027","Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.","Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate","Acta Crystallographica Section B","1994","50","5","597","600","10.1107/S0108768194002594","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101198","13.6714","0.0001","13.824","0.0001","13.8939","0.0001","90","","90","","90","","2625.86","0.03","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- Cd Cs2 O12 Si5 -","- Cd Cs2 O12 Si5 -","- Cd8 Cs16 O96 Si40 -","8","1","LI0172","Bell, A. M. T.; Redfern, S. A. T.; Henderson, C. M. B.; Kohn, S. C.","Structural relations and tetrahedral ordering pattern of synthetic orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray powder diffraction and multinuclear MAS NMR study","Acta Crystallographica Section B","1994","50","5","560","566","10.1107/S0108768194003393","","","0.1","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101217","11.074","0.005","9.152","0.003","14.66","0.004","90","","90","","90","","1485.8","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C48 H48 N16 O16 S8 -","8","1","AN0501","Chertanova, L.; Pascard, C.; Sheremetev, A.","X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group","Acta Crystallographica Section B","1994","50","6","708","716","10.1107/S0108768194004179","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101278","14.605","0.002","20.738","0.003","15.42","0.002","90","","90","","90","","4670.4","1.1","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- H12 O18 Si12 -","- H12 O18 Si12 -","- H96 O144 Si96 -","8","1","CR0477","Törnroos, K. W.; Bürgi, H.-B.; Calzaferri, G.; Bürgy, H.","The crystal and molecular structure of dodecahydridosilasesquioxane, H~12~Si~12~O~18~","Acta Crystallographica Section B","1995","51","2","155","161","10.1107/S0108768194013558","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101280","11.527","0.006","16.228","0.008","20.45","0.008","90","0.04","90","0.04","90","0.04","3825","3","103","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 F11 Sb2 -","- C13 H21 F11 Sb2 -","- C104 H168 F88 Sb16 -","8","1","HU0423","Laube, T.; Schaller, E.","Redetermination of the crystal structure of 3,5,7-trimethyl-1-adamantyl undecafluorodiantimonate(V)","Acta Crystallographica Section B","1995","51","2","177","181","10.1107/S0108768194012644","","","0.71069","MoKa","","0.0574","0.0452","","0.1289","0.1174","","","","0.995","1.034","1.034","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101385","8.669","0.002","20.847","0.004","21.746","0.004","90","","90","","90","","3930","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","GL2E4-6","GL2E4-1-3","","- C20 H28 O8 -","- C20 H28 O8 -","- C160 H224 O64 -","8","1","AS0679","Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.","Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability","Acta Crystallographica Section B","1995","51","6","1045","1050","10.1107/S0108768195004678","","","1.5418","CuKα","","0.0893","0.0582","","0.1745","0.1369","","","","1.058","1.034","1.034","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101412","9.132","0.003","12.931","0.003","15.514","0.005","90","","90","","90","","1832","0.9","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101414","9.469","0.002","8.53","0.003","27.149","0.003","90","","90","","90","","2192.8","0.9","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101462","59.684","0.008","14.909","0.002","12.956","0.002","90","","90","","90","","11529","3","296","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H33 Co N5 O4 P -","- C29 H33 Co N5 O4 P -","- C464 H528 Co16 N80 O64 P16 -","16","2","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","1.54184","CuKα","","","0.0597","","","0.1276","","","","","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101479","9.469","0.005","14.752","0.007","10.859","0.005","90","","90","","90","","1516.9","1.3","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C7 H3 Cl N2 O2 -","- C7 H3 Cl N2 O2 -","- C56 H24 Cl8 N16 O16 -","8","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101480","9.969","0.002","14.728","0.004","10.179","0.003","90","","90","","90","","1494.5","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101495","34.845","0.009","10.013","0.004","10.918","0.004","90","","90","","90","","3809","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C168 H184 N24 O16 -","8","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.061","","","0.038","","","","","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101506","61.08","0.01","12.115","0.007","7.674","0.005","90","","90","","90","","5679","5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C240 H192 Cl24 N24 O48 -","24","3","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101620","8.154","0.0002","8.1482","0.0002","7.7945","0.0001","90","","90","","90","","517.87","0.019","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine dichloro palladiun(II)","","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","- Cl8 H24 N8 Pd4 -","4","0.5","AB0347","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.","Structures and isomerization in diamminedichloropalladium(II)","Acta Crystallographica Section B","1996","52","6","909","916","10.1107/S0108768196005988","","","1.5418","CuKα","","","0.111","","","0.109","","","","","1.81","1.81","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101631","31.863","0.002","11.088","0.002","9.4","0.003","90","","90","","90","","3321","1.2","294","","294.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","1.5418","CuKα","","0.1386","0.0398","","0.0392","0.0331","","","","1.529","1.946","1.946","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101702","10.487","0.007","14.351","0.004","5.243","0.006","90","","90","","90","","789.1","1.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium magnesiosilicate","","- Al0.15 Mg0.79 Na1.74 O4 Si1.06 -","- Mg0.865 Na1.74 O4 Si1.135 -","- Mg6.92 Na13.92 O32 Si9.08 -","8","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101892","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.1578","0.0653","","0.2385","0.1908","","","","1.015","1.234","1.234","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101893","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.145","0.0516","","0.1614","0.1252","","","","0.997","1.2","1.2","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101894","13.824","0.002","11.731","0.002","7.366","0.002","90","","90","","90","","1194.5","0.4","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.0727","0.0645","","0.1572","0.1509","","","","1.22","1.28","1.28","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101960","6.216","0.001","38.627","0.001","8.031","0.001","90","","90","","90","","1928.3","0.4","297","","297","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Methyl-indole-3-acetic acid","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","1","HA0181","Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka","Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin)","Acta Crystallographica Section B","2000","56","1","94","111","10.1107/S0108768199006199","","","0.71073","MoKα","","","0.049","","","0.041","","","","","0.99","0.99","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101984","21.595","0.003","14.518","0.002","7.953","0.0007","90","","90","","90","","2493.4","0.5","293","1","294","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C120 H104 N8 O16 S8 -","8","1","NA0092","Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher","Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione","Acta Crystallographica Section B","2000","56","1","58","67","10.1107/S0108768199009702","","","0.71073","MoKα","","0.1586","0.0655","","","","0.1441","","","","","","0.91","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102045","20.582","0.004","8.146","0.0016","23.491","0.005","90","","90","","90","","3938.5","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","trans-dichlorobistriphenylarsineplatinum(II)","","","- C38 H34 As2 Cl6 Pt -","- C38 H34 As2 Cl6 Pt -","- C152 H136 As8 Cl24 Pt4 -","4","0.5","NS0002","Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke","Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II)","Acta Crystallographica Section B","2000","56","2","226","233","10.1107/S0108768199014500","","","0.71073","MoKα","","0.0569","0.0316","","","","0.067","","","","","","1.201","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102057","13.3202","0.0007","12.7223","0.0006","7.05854","0.00003","90","","90","","90","","1196.17","0.08","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-diammine dibromide palladium(II)","","- Br2 H6 N2 Pd -","- Br2 H6 N2 Pd -","- Br16 H48 N16 Pd8 -","8","1","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.6","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102059","8.4315","0.0003","8.4206","0.0003","8.0916","0.0002","90","","90","","90","","574.49","0.04","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine dibromide palladium(II)","","- Br2 H6 N2 Pd -","- Br2 H6 N2 Pd -","- Br8 H24 N8 Pd4 -","4","0.5","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.89","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102060","13.906","0.0008","13.5035","0.0008","7.505","0.0004","90","","90","","90","","1409.29","0.09","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-diammine diiodide palladium(II)","","- H6 I2 N2 Pd -","- H6 I2 N2 Pd -","- H48 I16 N16 Pd8 -","8","1","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.81","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102061","8.8347","0.0005","8.841","0.0005","8.6081","0.0002","90","","90","","90","","672.36","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine diiodide palladium(II)","","- H6 I2 N2 Pd -","- H6 I2 N2 Pd -","- H24 I8 N8 Pd4 -","4","0.5","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.82","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102108","20.243","0.003","9.087","0.002","8.137","0.002","90","","90","","90","","1496.8","0.5","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O S -","- C7 H7 N O S -","- C56 H56 N8 O8 S8 -","8","1","OA0024","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides","Acta Crystallographica Section B","2000","56","4","682","689","10.1107/S0108768100002329","","","0.71073","MoKα","","","0.049","","","","0.142","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2102173","26.766","0.005","9.3754","0.0018","8.1729","0.0013","90","","90","","90","","2050.9","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","BM0031","Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.","Comparison of the structural motifs of acetoacetanilides and related azo pigments","Acta Crystallographica Section B","2000","56","6","1046","1053","10.1107/S0108768100010946","","","0.71069","MoKα","","0.0929","0.0349","","","0.0872","0.1026","","","","","","0.986","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102641","11.356","0.002","20.637","0.004","9.85","0.002","90","","90","","90","","2308.4","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.0972","0.0634","","","0.1419","0.1616","","","","","","1.081","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102642","11.482","0.001","21.13","0.002","9.992","0.001","90","","90","","90","","2424.2","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.154","0.0897","","","0.2633","0.3347","","","","","","0.985","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102660","8.248","0.001","19.679","0.003","10.581","0.001","90","","90","","90","","1717.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-2-hydroxy-cycloheptanecarboxamide","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C64 H120 N8 O16 -","8","1","DE5011","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","Different forms of antiparallel stacking of hydrogen-bonded antidromic rings in the solid state: polymorphism with virtually the same unit cell and two-dimensional isostructurality with alternating layers","Acta Crystallographica Section B","2004","60","6","755","762","10.1107/S0108768104024553","","","0.71073","MOkα","","0.0894","0.0453","","","0.1298","0.1451","","","","","","0.846","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102670","16.075","0.003","15.88","0.003","5.6008","0.0009","90","","90","","90","","1429.7","0.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lithium bis(oxalato)borate hydrate","Lithium bis(oxalato)borate hydrate","","- C4 H2 B Li O9 -","- C4 H2 B Li O9 -","- C32 H16 B8 Li8 O72 -","8","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0928","0.0597","","","0.0797","0.0889","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102692","12.317","0.003","15.602","0.006","18.302","0.007","90","","90","","90","","3517","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 I10 Ni S6 -","- C12 H24 I10 Ni S6 -","- C48 H96 I40 Ni4 S24 -","4","0.5","GP5013","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Extended structures of polyiodide salts of transition metal macrocyclic complexes","Acta Crystallographica Section B","2007","63","1","81","92","10.1107/S0108768106041668","","","0.71073","MoKα","","0.0461","0.0382","","","0.0946","0.1","","","","","","1.31","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102766","11.9836","0.0007","7.382","0.0012","21.67","0.002","90","","90","","90","","1917","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl F -","- C12 H8 Cl F -","- C96 H64 Cl8 F8 -","8","1","BK5043","Luthe, G.; Swenson, D. C.; Robertson, L. W.","Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3)","Acta Crystallographica Section B","2007","63","2","319","327","10.1107/S0108768106054255","","","0.71073","MoKα","","0.062","0.0486","","","0.1364","0.1441","","","","","","1.057","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102852","8.545","0.002","7.588","0.001","19.717","0.004","90","","90","","90","","1278.4","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0621","0.0466","","","0.095","0.1005","","","","","","1.137","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102856","8.617","0.001","7.693","0.001","19.695","0.003","90","","90","","90","","1305.6","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0711","0.0404","","","0.0789","0.0875","","","","","","1.053","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102857","8.415","0.001","7.799","0.001","19.295","0.002","90","","90","","90","","1266.3","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac-trans-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0384","0.0341","","","0.083","0.0859","","","","","","1.077","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102858","8.491","0.001","7.893","0.001","19.331","0.002","90","","90","","90","","1295.6","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac-trans-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0477","0.0362","","","0.0832","0.0895","","","","","","1.05","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102936","5.7568","0.0007","11.5136","0.0013","16.2827","0.0018","90","","90","","90","","1079.2","0.2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rubidium iron dioxide","","- Fe O2 Rb -","- Fe O2 Rb -","- Fe16 O32 Rb16 -","16","2","BP5004","Nuss, Jürgen; Ali, Naveed Zafar; Jansen, Martin","Structure of RbFeO~2~, refined from a reticular pseudomerohedrally twinned crystal with six domains","Acta Crystallographica Section B","2007","63","5","719","725","10.1107/S0108768107037147","","","0.71073","MoKα","","0.1156","0.0529","","","0.1074","0.1256","","","","","","1.165","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102937","8.428","0.0019","8.986","0.002","26.233","0.006","90","","90","","90","","1986.7","0.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium)tetraiodoplumbate(II)","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.1121","0.1014","","","0.2653","0.27","","","","","","1.376","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102938","8.8764","0.0001","8.6925","0.0001","27.6014","0.0005","90","","90","","90","","2129.67","0.05","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium)tetraiodoplumbate(II)","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0534","0.0372","","","0.073","0.0762","","","","","","1.089","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102941","9.0078","0.001","8.731","0.001","29.956","0.004","90","","90","","90","","2356","0.5","333","2","333","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(pentylammonium)tetraiodoplumbate(II)","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C40 H112 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.1546","0.124","","","0.2711","0.2835","","","","","","1.318","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102943","8.9413","0.0002","8.6874","0.0002","32.7027","0.001","90","","90","","90","","2540.24","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(hexylammonium)tetraiodoplumbate(II)","","- C12 H32 I4 N2 Pb -","- C12 H32 I4 N2 Pb -","- C48 H128 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0958","0.0814","","","0.1636","0.1682","","","","","","1.335","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102973","7.1927","0.0002","21.2168","0.0007","28.6771","0.001","90","","90","","90","","4376.3","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-isonicotinoyl benzaldehydehydrazone","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C208 H176 N48 O16 -","16","2","BM5048","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers","Acta Crystallographica Section B","2007","63","6","879","895","10.1107/S0108768107036270","","","0.71073","MoKα","","0.0854","0.0468","","","0.1145","0.1333","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102975","13.191","0.0004","18.8057","0.0006","18.2843","0.0004","90","","90","","90","","4535.7","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-isonicotinoyl 3-fluorobenzaldehydehydrazone","","- C13 H10 F N3 O -","- C13 H10 F N3 O -","- C208 H160 F16 N48 O16 -","16","2","BM5048","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers","Acta Crystallographica Section B","2007","63","6","879","895","10.1107/S0108768107036270","","","0.71073","MoKα","","0.0857","0.0632","","","0.1387","0.1509","","","","","","1.104","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103062","14.1667","0.0004","20.7513","0.0006","7.4516","0.0003","90","","90","","90","","2190.6","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-methoxyphenyl)pyrazinecarboxamide","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","BM5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Ferreira, Marcelle de L.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Patterns of hydrogen bonding in mono- and di-substituted <i>N</i>-arylpyrazinecarboxamides","Acta Crystallographica Section B","2008","64","1","84","100","10.1107/S0108768107051804","","","0.71073","MoKα","","0.0622","0.0383","","","0.0884","0.0987","","","","","","1.046","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103113","18.294","0.004","17.411","0.004","19.047","0.004","90","","90","","90","","6067","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N5 P3 -","- C28 H28 Cl4 N5 P3 -","- C224 H224 Cl32 N40 P24 -","8","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0681","0.0385","","","0.0912","0.1043","","","","","","0.873","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103224","9.738","","23.63","","13.584","","90","","90","","90","","3125.8","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Trichloro-bis(3-methylimidazole-2-thione-S)Sb(III)","","- C8 H12 Cl3 N4 S2 Sb -","- C8 Cl3 N4 S2 Sb -","- C64 Cl24 N32 S16 Sb8 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103621","17.42","","7.421","","8.939","","90","","90","","90","","1155.58","","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.103","0.103","","","","0.185","","","","","","1.2","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103622","17.549","","7.446","","8.959","","90","","90","","90","","1170.67","","250","1","250","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.093","0.093","","","","0.171","","","","","","1.182","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103623","17.576","","7.456","","8.963","","90","","90","","90","","1174.57","","280","1","280","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.121","0.121","","","","0.191","","","","","","1.294","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103624","17.589","","7.458","","8.967","","90","","90","","90","","1176.28","","290","1","290","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.097","0.097","","","","0.159","","","","","","1.218","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103625","17.595","","7.46","","8.968","","90","","90","","90","","1177.13","","295","1","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.094","0.094","","","","0.163","","","","","","1.245","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103626","17.601","","7.461","","8.968","","90","","90","","90","","1177.69","","300","1","300","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.09","0.09","","","","0.154","","","","","","1.209","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103627","17.608","","7.462","","8.97","","90","","90","","90","","1178.58","","305","1","305","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.099","0.099","","","","0.165","","","","","","1.291","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103628","17.614","","7.463","","8.971","","90","","90","","90","","1179.27","","310","1","310","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.167","","","","","","1.23","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103629","17.621","","7.463","","8.972","","90","","90","","90","","1179.87","","315","1","315","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.102","0.102","","","","0.166","","","","","","1.27","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103630","17.629","","7.465","","8.974","","90","","90","","90","","1180.98","","320","1","320","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.103","0.103","","","","0.161","","","","","","1.279","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103631","17.639","","7.466","","8.975","","90","","90","","90","","1181.94","","330","1","330","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.163","","","","","","1.287","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103632","17.648","","7.467","","8.976","","90","","90","","90","","1182.84","","335","1","335","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.163","","","","","","1.261","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103635","18.119","0.003","10.812","0.002","25.665","0.005","90","0.001","90","0.001","90","0.001","5027.8","1.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","1","AN0579","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation","Acta Crystallographica Section B","2001","57","3","394","398","10.1107/S010876810002108X","","","0.71073","MoKα","","0.086","0.043","","","","0.1122","","","","","","1.022","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103643","17.43","0.02","7.43","0.02","8.97","0.02","90","","90","","90","","1161","4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","urea phosphate","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","CA0006","Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.","Experimental electron density of urea‒phosphoric acid (1/1) at 100K","Acta Crystallographica Section B","2001","57","3","353","358","10.1107/S0108768101004359","","neutron","1.207","neutron","","0.069","0.053","","","","0.053","","","","","","1.35","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103644","17.4527","0.0007","7.4465","0.0005","8.9589","0.0004","90","","90","","90","","1164.31","0.09","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","urea phosphate","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","CA0006","Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.","Experimental electron density of urea‒phosphoric acid (1/1) at 100K","Acta Crystallographica Section B","2001","57","3","353","358","10.1107/S0108768101004359","","","0.71073","MoKα","","0.0963","0.0577","","","","0.053","","","","","","0.69","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103733","12.5662","0.0006","10.1714","0.0006","14.3863","0.0009","90","","90","","90","","1838.8","0.18","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-dimethylaminocyclohexanone oxime","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C64 H128 N16 O8 -","8","1","NA0119","Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella","Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime","Acta Crystallographica Section B","2001","57","5","705","713","10.1107/S0108768101009624","","","0.71073","MoKα","","0.0709","0.039","","","","0.1146","","","1.031","","","1.031","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103739","12.845","0.002","15.0121","0.0007","18.643","0.0008","90","","90","","90","","3594.9","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-isopropyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C152 H168 N8 O32 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.064","0.064","","0.069","","0.069","","","0.984","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103740","9.826","0.002","14.632","0.002","23.77","0.004","90","","90","","90","","3417.5","1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-cyclopropyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C152 H152 N8 O32 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","0.71069","MoKα","","0.046","0.046","","0.052","","0.052","","","0.772","","","0.772","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103779","13.469","0.001","7.458","0.0001","26.656","0.002","90","","90","","90","","2677.6","0.3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzoylmethyl 4-chlorophenyl sulfone","","- C14 H11 Cl O3 S -","- C14 H11 Cl O3 S -","- C112 H88 Cl8 O24 S8 -","8","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","1.54178","CuKα","","0.0751","0.0636","","","","0.1976","","","","","","1.051","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103968","6.6971","0.0002","15.741","0.0006","9.1635","0.0003","90","","90","","90","","966.01","0.06","240","2","240","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6.016 -","- C8 H24 Na16 O48.128 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0449","0.0281","","","0.0654","0.0735","","","","","","1.038","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103969","6.6871","0.0002","15.7473","0.0006","9.154","0.0003","90","","90","","90","","963.95","0.06","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6.0188 -","- C8 H24 Na16 O48.1504 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0405","0.0288","","","0.0687","0.0745","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103970","6.6592","0.0002","15.7511","0.0008","9.1254","0.0004","90","","90","","90","","957.16","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6 -","- C8 H24 Na16 O48 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.038","0.0269","","","0.0597","0.0644","","","","","","1.027","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103971","6.6521","0.0003","15.7579","0.0008","9.1062","0.0004","90","","90","","90","","954.54","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6 -","- C8 H24 Na16 O48 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0385","0.0271","","","0.0627","0.0676","","","","","","1.043","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103998","7.765","0.002","11.59","0.002","13.172","0.002","90","0.002","90","0.002","90","0.002","1185.4","0.4","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0888","0.0489","","","0.1294","0.152","","","","","","1.022","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103999","7.79","0.001","11.604","0.001","13.185","0.001","90","0.002","90","0.002","90","0.002","1191.9","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0831","0.0455","","","0.1174","0.1344","","","","","","1.029","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104000","7.819","0.001","11.627","0.001","13.206","0.001","90","0.002","90","0.002","90","0.002","1200.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1165","0.0545","","","0.1521","0.1914","","","","","","0.94","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104001","7.935","0.001","11.712","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1228.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0894","0.0486","","","0.1259","0.1492","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104002","7.765","0.002","11.59","0.002","13.172","0.002","90","0.002","90","0.002","90","0.002","1185.4","0.4","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0829","0.0424","","","0.1087","0.1278","","","","","","1.043","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104003","7.79","0.001","11.604","0.002","13.185","0.002","90","0.002","90","0.002","90","0.002","1191.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0754","0.0379","","","0.0949","0.1084","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104004","7.819","0.001","11.627","0.001","13.206","0.001","90","0.002","90","0.002","90","0.002","1200.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1157","0.0532","","","0.1647","0.2049","","","","","","1.023","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104005","7.864","0.001","11.662","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1212.2","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1529","0.0523","","","0.106","0.1433","","","","","","0.939","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104006","7.935","0.001","11.712","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1228.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0861","0.0454","","","0.0977","0.1152","","","","","","1.022","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104007","7.864","0.001","11.662","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1212.2","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1561","0.0562","","","0.1339","0.1738","","","","","","1.008","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104072","10.5381","0.0008","15.7519","0.0014","22.626","0.002","90","","90","","90","","3755.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2R,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl- [1,3,2]-oxazaphospholidine2-oxide","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C160 H208 N8 O16 P8 -","8","1","GP5020","van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.","Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes","Acta Crystallographica Section B","2008","64","2","196","205","10.1107/S0108768107061770","","","0.50606","synchrotron","","0.062","0.0515","","0.063","0.0517","0.0517","","","","","","0.9846","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104166","7.2155","0.0015","6.2725","0.0012","10.828","0.002","90","","90","","90","","490.07","0.17","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","0.5","BS5062","Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek","Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles","Acta Crystallographica Section B","2008","64","4","497","503","10.1107/S0108768108018272","","","0.71073","MoKα","","0.0582","0.0416","","","0.0995","0.1178","","","","","","1.133","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104167","12.451","0.0004","8.5089","0.0003","18.0764","0.0005","90","","90","","90","","1915.09","0.11","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C64 H64 N16 O32 -","8","1","BS5062","Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek","Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles","Acta Crystallographica Section B","2008","64","4","497","503","10.1107/S0108768108018272","","","0.71073","MoKα","","0.0413","0.0286","","","0.0704","0.078","","","","","","1.085","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104182","7.0297","0.0009","13.859","0.003","25.766","0.006","90","","90","","90","","2510.2","0.9","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(6-Amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol","","- C11 H17 N7 O -","- C11 H17 N7 O -","- C88 H136 N56 O8 -","8","1","BM5056","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions","Acta Crystallographica Section B","2008","64","5","610","622","10.1107/S0108768108019903","","","0.71073","MoKα","","0.1593","0.0705","","","0.1697","0.2239","","","","","","1.006","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104183","16.5577","0.0012","8.6833","0.0003","18.464","0.0013","90","","90","","90","","2654.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^4^-Methyl-N^4^-(4-phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine monohydrate","","- C13 H16 N6 O -","- C13 H16 N6 O -","- C104 H128 N48 O8 -","8","1","BM5056","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions","Acta Crystallographica Section B","2008","64","5","610","622","10.1107/S0108768108019903","","","0.71073","MoKα","","0.0796","0.0465","","","0.1034","0.1219","","","","","","1.092","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104238","15.352","0.001","16.278","0.001","30.716","0.002","90","","90","","90","","7675.9","0.8","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-tetraaquadinitratonickel(II) (15-crown-5) trans-tetraaquadinitratonickel(II) (15-crown-5)","","","- C20 H56 N4 Ni2 O30 -","- C20 H56 N4 Ni2 O30 -","- C160 H448 N32 Ni16 O240 -","8","1","BS5068","Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt","The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5","Acta Crystallographica Section B","2008","64","6","725","737","10.1107/S0108768108034058","","","0.71073","MoKα","","0.0725","0.0362","","","0.0689","0.0786","","","","","","1.018","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104249","9.1724","0.0018","7.185","0.0014","27.407","0.006","90","","90","","90","","1806.2","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(RS)-2-phenylbutyric acid","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","1","BS5070","Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.","Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide","Acta Crystallographica Section B","2008","64","6","780","790","10.1107/S0108768108034526","","","0.71073","MoKα","","0.0545","0.0371","","","0.0797","0.0878","","","","","","1.041","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104394","13.6371","0.0005","13.6689","0.0005","13.728","0.0005","90","","90","","90","","2558.96","0.16","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium magnesium leucite","dicesium magnesium pentasilicate","","- Cs2 Mg O12 Si5 -","- Cs2 Mg O12 Si5 -","- Cs16 Mg8 O96 Si40 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","0.993773","Synchrotron","","0.0555","","","","","","","","2.786","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104395","13.422","0.001","13.406","0.001","13.73","0.001","90","","90","","90","","2470.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium magnesium leucite","dicesium rubidium pentasilicate","","- Mg O12 Rb2 Si5 -","- Mg O12 Rb2 Si5 -","- Mg8 O96 Rb16 Si40 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","1.5051","Synchrotron","","0.0662","","","","","","","","2.152","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104396","13.6415","0.0009","13.6233","0.0008","13.6653","0.0009","90","","90","","90","","2539.6","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium zinc leucite","dicesium zinc pentasilicate","","- Cs2 O12 Si5 Zn -","- Cs2 O12 Si5 Zn -","- Cs16 O96 Si40 Zn8 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","0.993773","Synchrotron","","0.0875","","","","","","","","1.675","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104639","9.4715","0.0004","11.4963","0.0005","13.0802","0.0006","90","","90","","90","","1424.27","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.0686","0.0638","","0.1525","0.1496","0.1525","","","","","","1.0783","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104640","9.431","0.003","11.438","0.007","13.018","0.003","90","","90","","90","","1404.3","1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0738","0.0415","","0.0606","0.0465","0.0465","","","","","","0.9772","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104641","9.1517","0.0006","11.1659","0.0016","12.5744","0.0007","90","","90","","90","","1284.9","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0724","0.0464","","0.0714","0.0595","0.0595","","","","","","1.0281","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104642","9.0252","0.0005","11.0298","0.0014","12.335","0.0006","90","","90","","90","","1227.9","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0649","0.0445","","0.0623","0.0554","0.0554","","","","","","0.9819","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104643","8.944","0.0005","10.9336","0.0014","12.1698","0.0006","90","","90","","90","","1190.09","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0727","0.0464","","0.0657","0.0544","0.0544","","","","","","0.9971","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104644","8.8854","0.0005","10.8632","0.0014","12.0516","0.0006","90","","90","","90","","1163.27","0.17","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0691","0.0446","","0.0633","0.053","0.053","","","","","","0.9897","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104645","8.8458","0.0005","10.8143","0.0014","11.9708","0.0006","90","","90","","90","","1145.14","0.17","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0761","0.0428","","0.0595","0.0479","0.0479","","","","","","0.9885","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104646","8.8188","0.0006","10.7838","0.0017","11.9105","0.0008","90","","90","","90","","1132.7","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.078","0.0449","","0.0637","0.0513","0.0513","","","","","","0.9832","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104647","8.7881","0.0013","10.735","0.002","11.859","0.002","90","","90","","90","","1118.8","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0944","0.0532","","0.0891","0.0607","0.0607","","","","","","1.0186","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104648","8.7873","0.001","10.71","0.002","11.8632","0.0012","90","","90","","90","","1116.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0994","0.0606","","0.0936","0.0746","0.0746","","","","","","1.0228","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104649","8.778","0.002","10.656","0.004","11.884","0.003","90","","90","","90","","1111.6","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.1307","0.0997","","0.1512","0.1348","0.1348","","","","","","1.0183","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104676","13.58943","0.00006","13.57355","0.00005","13.62296","0.00004","90","","90","","90","","2512.85","0.016","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium copper leucite","","","- Cs2 Cu O12 Si5 -","- Cs2 Cu O12 Si5 -","- Cs16 Cu8 O96 Si40 -","8","1","HW5006","Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N.","Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i>","Acta Crystallographica Section B","2010","66","1","51","59","10.1107/S0108768109054895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104681","36.4368","0.001","11.5998","0.0004","45.8014","0.0011","90","","90","","90","","19358.4","1","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H17.2 Fe Na2 O4.6 -","- C24 H17.2 Fe Na2 O4.6 -","- C960 H688 Fe40 Na80 O184 -","40","5","BK5092","Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J.","1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe]","Acta Crystallographica Section B","2010","66","2","196","205","10.1107/S0108768110004040","","","0.71073","MolybdenumKα","","0.2296","0.0637","","","0.113","0.1576","","","","","","0.942","","","","has coordinates,has Fobs","283803","2023-05-16","08:05:53",""
"2104794","8.3222","0.0002","9.5441","0.0002","27.0123","0.0006","90","","90","","90","","2145.53","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","HEPES","4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","PI5006","Śledź, Paweł; Kamiński, Radosław; Chruszcz, Maksymilian; Zimmerman, Matthew D.; Minor, Wladek; Woźniak, Krzysztof","An experimental charge density of HEPES","Acta Crystallographica Section B","2010","66","4","482","492","10.1107/S0108768110023025","","x-ray","0.71073","MoKα","","0.063","0.023","","","","0.048","0.027","","","","","1.171","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104815","9.7668","0.0008","16.5318","0.0014","30.463","0.003","90","","90","","90","","4918.6","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.0773","0.0457","","","0.1053","0.1269","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104816","9.7668","0.0008","16.5318","0.0014","30.463","0.003","90","","90","","90","","4918.6","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.1024","0.0486","","","0.1007","0.1312","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104820","16.495","0.003","17.36","0.003","23.009","0.004","90","","90","","90","","6589","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2"",4,4"",6,6""-hexa-tert-butyl-azobenzene","","- C36 H58 N2 -","- C36 H58 N2 -","- C288 H464 N16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.7107","MoKα","","0.1428","0.0847","","","0.2108","0.2396","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104822","9.7674","0.0002","16.534","0.0003","30.4455","0.0005","90","","90","","90","","4916.77","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","1.54178","CuKα","","0.0409","0.0383","","","0.0929","0.0948","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104823","9.888","0.0006","16.6917","0.001","30.5802","0.0018","90","","90","","90","","5047.2","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.0906","0.0503","","","0.1335","0.1613","","","","","","1.03","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104824","9.8836","0.0003","16.7096","0.0005","30.5719","0.001","90","","90","","90","","5049","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","1.54178","CuKα","","0.0636","0.0494","","","0.1326","0.143","","","","","","1.052","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104838","7.1342","0.0002","19.2898","0.0005","25.4147","0.0006","90","","90","","90","","3497.5","0.16","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(acetylamino)phenylazide","4-(acetylamino)phenylazide","","- C8 H8 N4 O -","- C8 H8 N4 O -","- C128 H128 N64 O16 -","16","2","OG5042","Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi","Direct observation of arylnitrene formation in the photoreaction of arylazide crystals","Acta Crystallographica Section B","2010","66","6","639","646","10.1107/S0108768110036608","","","0.71073","MoKα","","0.0535","0.0402","","","0.1051","0.112","","","","","","1.032","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104858","8.5364","0.0002","15.0148","0.0003","21.3846","0.0003","90","","90","","90","","2740.91","0.09","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N3 O2 S2 -","- C11 N3 O2 S2 -","- C88 N24 O16 S16 -","8","1","ZB5014","Hangan, Adriana; Borodi, Gheorghe; Filip, Xenia; Tripon, Carmen; Morari, Cristian; Oprean, Luminita; Filip, Claudiu","Structure of <i>N</i>-(5-ethyl-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide by combined X-ray powder diffraction, ^13^C solid-state NMR and molecular modelling","Acta Crystallographica Section B","2010","66","6","615","621","10.1107/S0108768110039327","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.19","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104867","8.9331","0.0003","16.5714","0.0007","25.7127","0.0009","90","","90","","90","","3806.4","0.2","78","2","78","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dibenzylammonium 4-azidebenzoate","Dibenzylammonium 4-azidebenzoate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C168 H160 N32 O16 -","8","1","OG5043","Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation","Acta Crystallographica Section B","2010","66","6","647","661","10.1107/S010876811003661X","","","0.71075","MoKα","","0.0631","0.0541","","","0.1152","0.1211","","","","","","1.114","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104869","12.925","0.003","8.273","0.002","23.954","0.005","90","","90","","90","","2561.4","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Amino-phenyl-methylene)chroman-2,4-dione","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","1","SN5099","Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten","Electron density studies on hydrogen bonding in two chromone derivatives","Acta Crystallographica Section B","2010","66","6","687","695","10.1107/S0108768110040875","","","0.6","synchrotron","","0.029","0.025","","","","0.048","0.037","","","","","2.276","","","","has coordinates,has Fobs","201208","2020-10-21","18:00:00",""
"2104941","7.4298","0.0005","22.0791","0.0005","19.4442","0.0006","90","","90","","90","","3189.7","0.2","320","2","320","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H40.004 Cd3 Cl10 N4 -","- C48 H160.016 Cd12 Cl40 N16 -","4","0.5","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0325","0.024","","","0.0594","0.0615","","","","","","1.007","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104969","13.0745","0.0002","12.9669","0.0002","13.6824","0.0003","90","","90","","90","","2319.66","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(mu~2~-2-(dimethylamino)ethoxo-N,O,O)-di(phenolyato-O)-di-tin(II)","","- C20 H30 N2 O4 Sn2 -","- C20 H30 N2 O4 Sn2 -","- C80 H120 N8 O16 Sn8 -","4","0.5","GW5015","Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu.","Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study","Acta Crystallographica Section B","2011","67","4","315","323","10.1107/S0108768111022695","","","0.71073","MoKα","","0.0472","0.0229","","","0.047","0.0921","","","","","","1.004","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105043","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-hydroxy-2-phenyl-2,3-dihydro-isoindol-1-one","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","SN5107","Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter","Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions","Acta Crystallographica Section B","2011","67","6","569","581","10.1107/S0108768111041747","","","0.6","synchrotron","","0.032","0.024","","","","0.041","0.034","","","","","3.176","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105052","11.8237","0.0004","7.3971","0.0003","17.1526","0.0007","90","","90","","90","","1500.19","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","EB5012","Chan, E. J.; Goossens, D. J.","Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs","Acta Crystallographica Section B","2012","68","1","80","88","10.1107/S0108768111046295","","","0.71073","MoKα","","0.0652","0.0399","","","0.1013","0.117","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105200","5.43867","0.00018","10.9236","0.0003","15.4564","0.0004","90","","90","","90","","918.26","0.05","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.901","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105201","5.4457","0.0003","10.9401","0.0007","15.4698","0.0009","90","","90","","90","","921.64","0.09","400","","400","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4079","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105202","5.456","0.0004","10.9617","0.0008","15.4893","0.0012","90","","90","","90","","926.37","0.12","500","","500","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.5508","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105203","5.4668","0.0004","10.9862","0.0009","15.5103","0.0014","90","","90","","90","","931.54","0.13","600","","600","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4074","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105204","5.4788","0.0005","11.0123","0.0011","15.5359","0.0018","90","","90","","90","","937.35","0.17","700","","700","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4794","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105205","5.4888","0.0002","11.0346","0.0004","15.5598","0.0005","90","","90","","90","","942.41","0.06","773","","773","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","5.9903","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105212","11.9981","0.0007","7.2291","0.0005","24.6145","0.0013","90","","90","","90","","2135","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B F4 N O2 -","- C8 H14 B F4 N O2 -","- C64 H112 B8 F32 N8 O16 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0751","0.0394","","","0.0855","0.0925","","","","","","0.989","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105214","11.0446","0.0009","8.0666","0.0005","29.755","0.002","90","","90","","90","","2650.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N O7 P -","- C8 H18 N O7 P -","- C64 H144 N8 O56 P8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0975","0.0711","","","0.1375","0.1531","","","","","","1.143","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105217","9.5614","0.0003","9.5543","0.0003","22.7766","0.0007","90","","90","","90","","2080.7","0.11","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N2 O8 S2 -","- C18 H28 N2 O8 S2 -","- C72 H112 N8 O32 S8 -","4","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0481","0.0312","","","0.0724","0.0757","","","","","","0.953","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2105260","11.744","0.004","7.601","0.003","18.102","0.006","90","","90","","90","","1615.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,5-dimethylphthalic anhydride","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","1","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0347","0.0333","","","0.0972","0.0986","","","","","","1.055","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105406","9.2792","","8.9103","","13.3719","","90","","90","","90","","1105.59","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca (B F4)2","","- B2 Ca F8 -","- B2 Ca F8 -","- B16 Ca8 F64 -","8","1","","Brown, W.E.; Schroeder, L.W.; Jordan, T.H.; Dickens, B.","The crystal structure of Ca (B F4)2","Acta Crystallographica B (24,1968-38,1982)","1975","31","","669","672","10.1107/S0567740875003597","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105425","13.714","","8.091","","8.631","","90","","90","","90","","957.696","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn (B4 O7)","","- B4 O7 Zn -","- B4 O7 Zn -","- B32 O56 Zn8 -","8","1","","Martinez-Carrera, S.; Martinez-Ripoll, M.; Garcia-Blanco, S.","The crystal structure of zinc diborate, Zn B4 O7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","672","677","10.1107/S0567740871002759","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105462","21.094","0.009","16.297","0.007","8.402","0.003","90","","90","","90","","2888","2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0755","0.0673","","","0.1311","0.1345","","","","","","1.218","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105480","6.15884","0.00015","11.5953","0.0003","14.639","0.0004","90","","90","","90","","1045.42","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H8 N2 S -","- C3 H8 N2 S -","- C24 H64 N16 S8 -","8","1","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0316","0.0256","","","0.06","0.0625","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105572","11.616","0.005","8.12","0.003","15.64","0.009","90","","90","","90","","1475.2","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-formylbenzoyl chloride","3-chloro-1(3H)-isobenzofuranone","","- C8 H5 Cl O2 -","- C8 H5 Cl O2 -","- C64 H40 Cl8 O16 -","8","1","FR0002","Valente, E. J.; Martin, S. B.; Sullivan, L. D.","Pseudoacids. II. 2-Acylbenzoic Acid Derivatives","Acta Crystallographica Section B","1998","54","3","264","276","10.1107/S0108768197012020","","","0.71073","MoKα","","0.0683","0.0435","","0.1207","0.1164","","","","0.869","1.139","1.139","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105580","11.9723","0.0008","12.5938","0.001","15.063","0.002","90","","90","","90","","2271.2","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-2-thiazolinium N-methylpyrrole-2-carboxylate","","- C9 H13 N3 O2 S -","- C9 H13 N3 O2 S -","- C72 H104 N24 O16 S8 -","8","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.0854","0.0366","","","","0.1172","","","","","","0.997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105606","10.546","0.001","14.205","0.004","18.323","0.002","90","","90","","90","","2744.9","0.9","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-methoxyphenylamino)-6,6-dimethyl-2-cyclohexen-1-one","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.047","","","","0.055","","","","","","1.77","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105609","14.244","0.002","9.645","0.001","23.711","0.003","90","","90","","90","","3257.5","0.7","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-4-(4-chlorophenylamino)-6-methyl-2-pyridone","","- C18 H14 Cl2 N2 O -","- C18 H14 Cl2 N2 O -","- C144 H112 Cl16 N16 O8 -","8","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.041","","","","0.047","","","","","","1.64","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105615","14.687","0.001","12.931","0.001","18.564","0.001","90","","90","","90","","3525.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","1","NA0088","Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.","Molecular structures and conformations of three 3-azabicyclononanes","Acta Crystallographica Section B","1999","55","5","793","798","10.1107/S0108768199005273","","","0.71073","MoKα","","0.0783","0.0431","","0.1114","0.0994","","","","0.885","1.035","1.035","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105702","6.97","0.003","9.514","0.005","9.752","0.005","90","","90","","90","","646.7","0.6","150","","150","","","","","","","","Aldrich","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd","Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test","Acta Crystallographica Section B Structural Science","2009","65","2","107","125","10.1107/S0108768109004066","","","0.71073","MoKα","","0.057","0.0447","","0.1195","0.0996","0.1195","","","","","","1.4022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105733","8.7377","0.0002","14.1088","0.0003","20.83","0.0005","90","","90","","90","","2567.89","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 S -","- C14 H18 N2 S -","- C112 H144 N16 S8 -","8","1","BI5003","Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.","Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family","Acta Crystallographica Section B","2014","70","1","47","53","10.1107/S2052520613024384","","","0.71073","MoKα","","0.0357","0.0328","","","0.0823","0.0853","","","","","","1.079","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105749","8.522","0.0002","12.291","0.0003","14.309","0.0004","90","","90","","90","","1498.78","0.07","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N-(2,6-difluorophenyl)formamide).(N-(2,6-dichlorophenyl)formamide) 0.73:0.27","","- C7 H5 Cl1.46 F0.54 N O -","- C7 H5 Cl1.456 F0.544 N O -","- C56 H40 Cl11.648 F4.352 N8 O8 -","8","1","GP5066","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0379","0.0359","","","0.089","0.0899","","","","","","1.254","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105750","8.5073","0.0012","13.093","0.002","14.448","0.002","90","","90","","90","","1609.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-(2,6-dichlorophenyl)formamide).(N-(2,6-dimethylphenyl)formamide) 0.48:0.52","","- C8.03 H8.1 Cl0.97 N O -","- C8.032 H8.096 Cl0.968 N O -","- C64.256 H64.768 Cl7.744 N8 O8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0835","0.0449","","","0.1157","0.1544","","","","","","0.857","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105751","9.208","0.0001","13.142","0.0002","14.617","0.0003","90","","90","","90","","1768.83","0.05","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-(2,6-dichlorophenyl)thioamide).(N-(2,6-dimethylphenyl)thioamide) 0.11:0.89","","- C8.78 H10.35 Cl0.22 N S -","- C8.782 H10.346 Cl0.218 N S -","- C70.256 H82.768 Cl1.744 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0432","0.0347","","","0.0919","0.0967","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105772","16.861","0.006","24.431","0.009","26.723","0.01","90","","90","","90","","11008","7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H9 Ag11 Br2 F27 N O21 -","- C26 H9 Ag11 Br2 F27 N O21 -","- C208 H72 Ag88 Br16 F216 N8 O168 -","8","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0764","0.0546","","","0.1369","0.1537","","","","","","1.084","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105776","14.607","0.0004","12.0315","0.0003","20.9654","0.0007","90","","90","","90","","3684.55","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 S6 -","- C12 H8 I2 N2 S6 -","- C96 H64 I16 N16 S48 -","8","1","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0386","0.0301","","","0.0595","0.0625","","","","","","1.072","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105832","14.66658","0.00013","12.39497","0.00009","16.63509","0.00014","90","","90","","90","","3024.12","0.04","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0391","0.0287","","","0.0687","0.0739","","","","","","1.048","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105833","14.77158","0.00016","12.42598","0.00011","16.62769","0.00016","90","","90","","90","","3052.04","0.05","200.01","0.11","200.01","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0475","0.0318","","","0.0663","0.072","","","","","","1.061","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105834","14.92869","0.00016","12.49901","0.00011","16.58142","0.00015","90","","90","","90","","3093.99","0.05","293.01","0.12","293.01","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0481","0.0334","","","0.078","0.0846","","","","","","1.068","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105835","14.6452","0.0004","12.3672","0.0004","16.6648","0.0005","90","","90","","90","","3018.33","0.16","99.9","0.2","99.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.0969","0.0545","","","0.0977","0.1173","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105836","14.7079","0.0005","12.3931","0.0004","16.6458","0.0005","90","","90","","90","","3034.14","0.17","160","2","160.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1198","0.0658","","","0.1331","0.1633","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105837","14.796","0.0005","12.4275","0.0004","16.6266","0.0005","90","","90","","90","","3057.25","0.17","220","2","220.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1255","0.0656","","","0.1206","0.1518","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105838","14.8837","0.0006","12.4554","0.0005","16.6018","0.0005","90","","90","","90","","3077.7","0.2","280","2","280.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1424","0.0738","","","0.1551","0.1932","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105839","14.9204","0.0006","12.4737","0.0005","16.5884","0.0006","90","","90","","90","","3087.3","0.2","300","2","300.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1369","0.0662","","","0.1313","0.1662","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105840","14.9773","0.0006","12.5017","0.0005","16.5629","0.0006","90","","90","","90","","3101.3","0.2","320","2","320.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1516","0.0733","","","0.1545","0.1997","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105841","15.0401","0.0007","12.5366","0.0005","16.532","0.0006","90","","90","","90","","3117.1","0.2","340","2","340.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1549","0.0703","","","0.1501","0.1934","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105861","7.837","0.002","15.258","0.003","11.706","0.002","90","","90","","90","","1399.8","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.099","0.0503","","","0.1329","0.1517","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105862","7.6473","0.001","15.155","0.0015","11.5909","0.0012","90","","90","","90","","1343.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0814","0.0541","","","0.127","0.1503","","","","","","1.399","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105863","7.8346","0.0019","15.27","0.004","11.684","0.003","90","","90","","90","","1397.8","0.6","250","2","250","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.1311","0.0548","","","0.1165","0.146","","","","","","0.992","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105947","7.1002","0.0009","14.349","0.0018","27.54","0.004","90","","90","","90","","2805.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3a","","","- C10 H11 Cd I2 N O2 -","- C10 H11 Cd I2 N O2 -","- C80 H88 Cd8 I16 N8 O16 -","8","1","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.031","0.0244","","","0.0492","0.0513","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105971","20.17","0.002","21.875","0.003","22.541","0.003","90","","90","","90","","9946","2","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H85.4 Cl6 F6 N38 O36.7 Rh4 Si -","- C60 H60 Cl6 F6 N38 O36.7 Rh4 Si -","- C240 H240 Cl24 F24 N152 O146.8 Rh16 Si4 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0728","0.0594","","","0.1555","0.18","","","","","","1.168","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105972","20.289","0.004","21.524","0.005","22.45","0.005","90","","90","","90","","9804","4","296.15","","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H82.82 Cl8 N38 O43.41 Rh4 -","- C60 H60 Cl8 N38 O43.4 Rh4 -","- C240 H240 Cl32 N152 O173.6 Rh16 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.119","0.0915","","","0.2113","0.2309","","","","","","1.148","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106175","19.07","","24.42","","10.915","","90","","90","","90","","5083","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H4)10 (H2 W12 O42) (H2 O)10","","- H62 N10 O52 W12 -","- N10 O52 W12 -","- N40 O208 W48 -","4","0.5","","Allmann, R.","Die Struktur des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1393","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","146579","2020-10-21","18:00:00",""
"2106206","8.171","","12.815","","14.035","","90","","90","","90","","1469.62","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S6 (N H)2","","- H2 N2 S6 -","- H2 N2 S6 -","- H16 N16 S48 -","8","1","","Postma, H.J.; van Bolhuis, F.; Vos, A.","The molecular and crystal structure of cyclohexasulphur-1,3-diimide, S6 (N H)2 isomer III","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2480","2486","","","","","","","","","","","","","","","","","","","","","","has coordinates","147419","2020-10-21","18:00:00",""
"2106215","5.6438","","6.2867","","9.9372","","90","","90","","90","","352.581","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- H2 O4 U -","- H8 O16 U4 -","4","0.5","","Taylor, J.C.; Hurst, H.J.","The hydrogen atom locations in the alpha and beta forms of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2018","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106229","11.109","","12.41","","6.487","","90","","90","","90","","894.315","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","U O2 (N H2 O)2 (N H2 O H)2 (H2 O)2","","- H14 N4 O8 U -","- H14 N4 O8 U -","- H56 N16 O32 U4 -","4","0.5","","Adrian, H. W. W.; van Tets, A.","Bis(hydroxylamido)bis(hydroxylamine)dioxouranium(VI) dihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","2","652","653","10.1107/S0567740878003702","","","","","","","","","","","","","","","","","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2106230","12.99","","12.34","","7.19","","90","","90","","90","","1152.53","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ba (Al O (O H)2)2","","- Al2 Ba H4 O6 -","- Al2 Ba O6 -","- Al16 Ba8 O48 -","8","1","","Ahmed, A.H.M.; Dent Glasser, L.S.","Barium Aluminate Hydrates. III. The Crystal Structure of alpha- Ba (Al O (O H)2)2","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1686","1690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106240","8.014","","8.147","","12.761","","90","","90","","90","","833.166","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca (Cr O4) (H2 O)","","- Ca Cr H2 O5 -","- Ca Cr H2 O5 -","- Ca8 Cr8 H16 O40 -","8","1","","Bars, O.; le Marouille, J.Y.; Grandjean, D.","Etude de chromates, molybdates et tungstates hydrates. II. Etude structurale de Ca Cr O4 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3751","3755","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106329","18.233","","8.836","","5.188","","90","","90","","90","","835.822","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.776 Co0.224) Si O3","","- Co0.224 Mg0.776 O3 Si -","- Co0.224 Mg0.776 O3 Si -","- Co3.584 Mg12.416 O48 Si16 -","16","2","","Hawthorne, F.C.; Ito, J.","Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","891","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106330","18.27","","8.833","","5.195","","90","","90","","90","","838.363","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.925 Mn0.075) Si O3","","- Mg0.925 Mn0.075 O3 Si -","- Mg0.925 Mn0.075 O3 Si -","- Mg14.8 Mn1.2 O48 Si16 -","16","2","","Hawthorne, F.C.; Ito, J.","Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","891","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106390","8.804","","18.371","","10.924","","90","","90","","90","","1766.83","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (B5 O8 (O H)2) (H2 O)","","- B5 H4 Na3 O11 -","- B5 H4 Na3 O11 -","- B40 H32 Na24 O88 -","8","1","","Menchetti, S.; Sabelli, C.","The crystal structure of synthetic sodium pentaborate monohydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3730","3733","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106457","18.46","","7.28","","6.712","","90","","90","","90","","902.018","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li N H3 O H S O4","","- H4 Li N O5 S -","- H4 Li N O5 S -","- H32 Li8 N8 O40 S8 -","8","1","","Vilminot, S.; Anderson, M.R.; Brown, I.D.","The Crystal Structure of Lithium Hydroxylammonium Sulphate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2628","2630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106557","8.39","","12.41","","13.32","","90","","90","","90","","1386.88","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (S2 N2 H)2","","- H2 N4 Ni S4 -","- H2 N4 Ni S4 -","- H16 N32 Ni8 S32 -","8","1","","Mayer, K.F.; Weiss, J.","Bis(dithionitrito-S-amido)nickel - A new (beta-) modification","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1999","2000","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106558","8.54","","10.263","","14.547","","90","","90","","90","","1274.99","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na2 (B4 O6 (O H)2)","","- B4 H2 Na2 O8 -","- B4 H2 Na2 O8 -","- B32 H16 Na16 O64 -","8","1","","Menchetti, S.; Sabelli, C.","The crystal structure of Na2 (B4 O6 (O H)2)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106566","18.204","","9.087","","5.278","","90","","90","","90","","873.085","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn Si O3","","- O3 Si Zn -","- O3 Si Zn -","- O48 Si16 Zn16 -","16","2","","Morimoto, N.; Akimoto, S.; Syono, Y.; Nakajima, Y.; Matsui, Y.","Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1041","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106567","18.201","","8.916","","5.209","","90","","90","","90","","845.317","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Zn Mg Si2 O6","","- Mg O6 Si2 Zn -","- Mg O6 Si2 Zn -","- Mg8 O48 Si16 Zn8 -","8","1","","Morimoto, N.; Nakajima, Y.; Syono, Y.; Akimoto, S.; Matsui, Y.","Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1041","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106581","17.426","","16.062","","13.592","","90","","90","","90","","3804.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ca2 (U O2)3 (P O4)2 (O H)4 (H2 O)4","","- Ca2 H12 O22 P2 U3 -","- Ca2 O22 P2 U3 -","- Ca16 O176 P16 U24 -","8","1","","Piret, P.; Declercq, J.P.","Phurcalite","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1677","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106820","8.252","","13.105","","10.218","","90","","90","","90","","1105","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","H Cl O4 (H2 O)3","","- Cl H7 O7 -","- Cl H7 O7 -","- Cl8 H56 O56 -","8","1","","Almloef, J.","Hydrogen Bond Studies. L. The Crystal Structure of Perchloric Acid Trihydrate","Acta Crystallographica B (24,1968-38,1982)","1972","28","","481","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106855","11.195","","10.713","","11.179","","90","","90","","90","","1340.72","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca H As O4 (H2 O)3","","- As Ca H7 O7 -","- As Ca H7 O7 -","- As8 Ca8 H56 O56 -","8","1","","Catti, M.; Ferraris, G.","Hydrogen bonding in the crystalline state. Crystal structure of Ca H As O4 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106858","13.999","","8.363","","10.468","","90","","90","","90","","1225.53","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N S Sb F6","","- F6 N S Sb -","- F6 N S Sb -","- F48 N8 S8 Sb8 -","8","1","","Clegg, W.; Glemser, O.; Harms, K.; Hartmann, G.; Mews, R.; Noltemeyer, M.; Sheldrick, G. M.","Crystal Structures of Thionitrosyl Hexafluoroantimonate(V) and Thionitrosyl Undecafluorodiantimonate(V) at 293 K and of Thionitrosyl Undecafluorodiantimonate(V) at 121.5 K: The Effect of Thermal Motion on the Apparent NS Bond Length","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","3","548","552","10.1107/s0567740881003555","","","","","","","","","","","","","","","","","","","","","has coordinates","211061","2020-10-21","18:00:00",""
"2106897","6.492","","14.521","","10.17","","90","","90","","90","","958.729","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca Se2 O5","","- Ca O5 Se2 -","- Ca O5 Se2 -","- Ca8 O40 Se16 -","8","1","","Delage, C.; Goursolle, M.; Carpy, A.","Structure du Diseleniate(IV) de Calcium","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1278","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106918","25.58","","22.832","","12.036","","90","","90","","90","","7029.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Os3 Cl2 (C O)10","","- C10 Cl2 O10 Os3 -","- C10 Cl2 O10 Os3 -","- C160 Cl32 O160 Os48 -","16","2","","Einstein, F.W.B.; Tyers, K.G.; Jones, T.J.","Structure of 1,1,1,1,2,2,2,3,3,3-Decacarbonyl-2,3;2,3-di-mue-chloro-tr angulo-triosmium","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1272","1274","","","","","","","","","","","","","","","","","","","","","","has coordinates","163543","2020-10-21","18:00:00",""
"2107027","8.383","","8.418","","21.54","","90","","90","","90","","1520.04","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K (B5 O8)","","- B5 K O8 -","- B5 K O8 -","- B40 K8 O64 -","8","1","","Krogh-Moe, J.","The crystall structure of the high-temperature modification of potassium pentaborate","Acta Crystallographica B (24,1968-38,1982)","1972","28","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107159","10.47","","18.704","","6.059","","90","","90","","90","","1186.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 H Si O4 (H2 O)2","","- H5 Na3 O6 Si -","- H5 Na3 O6 Si -","- H40 Na24 O48 Si8 -","8","1","","Schmid, R.; Felsche, J.; Huttner, G.","The Structure of Trisodium Hydrogensilicate Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1979","35","","3024","3027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107160","10.38","","10.053","","11.414","","90","","90","","90","","1191.05","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 H Si O4 (H2 O)2","","- H5 Na3 O6 Si -","- H5 Na3 O6 Si -","- H40 Na24 O48 Si8 -","8","1","","Schmid, R.L.; Szolnai, L.; Felsche, J.; Huttner, G.","The Structure of Trisodium Hydrogensilicate Dihydrate: High Temperature Form","Acta Crystallographica B (24,1968-38,1982)","1981","37","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107210","8.78","","10.52","","19.69","","90","","90","","90","","1818.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(S C (N H2)2)2 Cl2","","- C2 H8 Cl2 N4 S2 -","- C2 H8 Cl2 N4 S2 -","- C16 H64 Cl16 N32 S16 -","8","1","","Villa, A.C.; Manfredotti, A.G.; Nardelli, M.; Tani, M.E.V.","The crystal structure of alpha,alpha'-dithio bis(formamidinium) dichloride","Acta Crystallographica B (24,1968-38,1982)","1972","28","","356","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","168427","2020-10-21","18:00:00",""
"2107269","8.0519","0.0001","23.4398","0.0003","32.8901","0.0005","90","","90","","90","","6207.51","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","1,2-bis(4-pyridyl)ethane lead iodide","","","- C7.47 H11.73 I3.2 N1.07 O1.07 Pb1.07 S1.07 -","- C7.46667 H11.7333 I3.2 N1.06667 O1.06667 Pb1.06667 S1.06667 -","- C112 H176 I48 N16 O16 Pb16 S16 -","15","1.875","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0454","0.0332","","","0.0602","0.0658","","","","","","1.051","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107378","7.583","","15.409","","18.789","","90","","90","","90","","2195.43","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tl4 Mo8 O26","","- Mo8 O26 Tl4 -","- Mo8 O26 Tl4 -","- Mo32 O104 Tl16 -","4","0.5","","Toledano, P.; Touboul, M.","Structure Cristalline du Tetramolybdate de Thallium(I), Tl2 Mo4 O13","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3547","3551","","","","","","","","","","","","","","","","","","","","","","has coordinates","173341","2020-10-21","18:00:00",""
"2107384","18.938","","7.399","","18.88","","90","","90","","90","","2645.51","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cl2 (C F3) Se Cl2 Se (C F3) Cl2","","- C2 Cl6 F6 Se2 -","- C2 Cl6 F6 Se2 -","- C16 Cl48 F48 Se16 -","8","1","","Marsden, C.J.; Sheldrick, G.M.; Taylor, R.","Trifluoromethylseleniumtrichloride","Acta Crystallographica B (24,1968-38,1982)","1977","33","","139","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","173406","2020-10-21","18:00:00",""
"2107393","8.881","","14.547","","11.975","","90","","90","","90","","1547.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rb2 U O2 F4 (H2 O)","","- F4 H2 O3 Rb2 U -","- F4 O3 Rb2 U -","- F32 O24 Rb16 U8 -","8","1","","Brusset, H.; Rubinstein-Auban, A.; Dao, N.Q.","Structure cristalline de Rb2 U O2 F4 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2617","2619","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107622","14.648","0.0009","12.4006","0.001","16.6062","0.001","90","","90","","90","","3016.4","0.4","296","2","296.15","","300000","16","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","BM5080","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1068","0.0621","","","0.1333","0.1504","","","","","","1.069","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107623","14.3847","0.0006","12.2888","0.0006","16.6029","0.0007","90","","90","","90","","2934.9","0.2","296","2","296.15","","700000","2","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.0883","0.0514","","","0.1171","0.1324","","","","","","1.04","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107624","14.1985","0.0009","12.0745","0.0009","16.5616","0.0011","90","","90","","90","","2839.3","0.3","296","2","296.15","","1670000","19","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1032","0.0631","","","0.1699","0.1927","","","","","","1.044","","","","has coordinates","183119","2020-10-21","18:00:00",""
"2107625","14.15","0.002","11.86","0.002","16.574","0.002","90","","90","","90","","2781.4","0.7","296","2","296.15","","2480000","12","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1605","0.0892","","","0.2134","0.2518","","","","","","1.063","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107626","14.138","0.003","11.686","0.003","16.583","0.003","90","","90","","90","","2739.8","1","296","2","296.15","","3170000","11","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1795","0.1053","","","0.2112","0.2482","","","","","","1.077","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107627","14.14","0.005","11.319","0.005","16.6","0.006","90","","90","","90","","2656.8","1.8","296","2","296.15","","4310000","16","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1345","0.1022","","","0.2756","0.2986","","","","","","1.289","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2108002","7.8069","0.0016","13.987","0.003","32.185","0.006","90","","90","","90","","3514.4","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(3-chloro-2-methylphenyl)amino]benzoic acid) 3-methylpyridine solvate","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C160 H152 Cl8 N16 O16 -","8","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.061","0.0397","","","0.0934","0.1077","","","","","","1.032","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2108009","17.6492","0.0006","7.482","0.0003","9.0018","0.0004","90","","90","","90","","1188.7","0.08","","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Kostansek, Edward C.; Busing, William R.","A single-crystal neutron-diffraction study of urea-phosphoric acid","Acta Crystallographyca B","1972","","","2454","2459","10.1107/S0567740872006272","","neutron","1.077","","","0.114","0.092","","","","","","","","","","","","","","has coordinates","211137","2020-10-21","18:00:00",""
"2108030","15.7522","0.0005","22.3326","0.0007","15.5213","0.0005","90","","90","","90","","5460.2","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Br F3 I3 N -","- C22 H24 Br F3 I3 N -","- C176 H192 Br8 F24 I24 N8 -","8","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0986","0.0834","","","0.1767","0.1827","","","","","","1.216","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108125","16.1578","0.0011","16.5129","0.0009","21.4877","0.0013","90","","90","","90","","5733.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 2","","","- C26 H22 N2 O14 Zn2 -","- C26 H22 N2 O14 Zn2 -","- C208 H176 N16 O112 Zn16 -","8","1","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0385","0.0276","","","0.0629","0.0682","","","","","","1.044","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2108205","5.1174","0.0004","7.3666","0.0004","11.7174","0.001","90","","90","","90","","441.72","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108206","4.9209","0.0004","7.1818","0.0005","11.5243","0.001","90","","90","","90","","407.28","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.089","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108207","4.8571","0.0004","7.1033","0.0005","11.4462","0.001","90","","90","","90","","394.91","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108208","4.7757","0.0004","6.993","0.0005","11.3384","0.001","90","","90","","90","","378.66","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.009","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108209","4.7321","0.0004","6.9298","0.0005","11.2798","0.0011","90","","90","","90","","369.89","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.056","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108210","9.507","0.002","7.9958","0.0017","43.262","0.009","90","","90","","90","","3288.6","1.2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C144 H128 Cl8 N24 O16 -","8","1","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0539","0.0384","","","0.0914","0.106","","","","","","1.123","","","","has coordinates,has Fobs","206006","2020-10-21","18:00:00",""
"2108270","10.1791","0.0018","8.7625","0.0015","22.946","0.004","90","","90","","90","","2046.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N -","- C12 H12 Br N -","- C96 H96 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.1031","0.049","","","0.112","0.1335","","","","","","1.018","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108272","10.8001","0.0009","8.8083","0.0007","21.0408","0.0017","90","","90","","90","","2001.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C96 H96 Cl8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0399","","","0.1013","0.1089","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108279","9.6268","0.0012","19.292","0.002","24.606","0.003","90","","90","","90","","4569.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N15 O18 -","- C13 H11 N15 O18 -","- C104 H88 N120 O144 -","8","1","LO5028","Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu","High-density HNIW/TNT cocrystal synthesized using a green chemical method","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008442","","","0.71073","MoKα","","0.0429","0.0372","","","0.099","0.1022","","","","","","1.083","","","","has coordinates,has Fobs","209232","2020-10-21","18:00:00",""
"2108281","13.8822","0.0017","11.6188","0.0014","22.115","0.003","90","","90","","90","","3567","0.8","110","0.2","110","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","","0.71073","MoKα","","0.0308","0.0198","","","0.0402","0.0435","","","","","","1.008","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108282","13.8732","0.0018","11.6316","0.0015","22.124","0.003","90","","90","","90","","3570.1","0.8","125","0.2","125","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0526","0.0419","","","0.0812","0.0837","","","","","","1.263","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108284","14.0011","0.0019","11.6244","0.0016","21.893","0.003","90","","90","","90","","3563.2","0.8","200","0.2","200","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0385","0.0224","","","0.0425","0.0471","","","","","","1.018","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108295","7.0488","0.0015","12.15","0.003","28.649","0.006","90","","90","","90","","2453.6","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.1173","0.0414","","","0.084","0.1083","","","","","","0.96","","","","has coordinates","212030","2020-10-21","18:00:00",""
"2108335","14.5448","0.0002","6.5214","0.0004","23.8246","0.0006","90","","90","","90","","2259.82","0.15","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","1.54184","Cukα","","0.0479","0.0328","","","0.0707","0.0751","","","","1.83","1.83","1.7","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108478","9.221","0.002","9.847","0.002","34.947","0.006","90","","90","","90","","3173.2","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti","Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619009156","","","0.71073","MoKα","","0.1394","0.0832","","","0.1754","0.2187","","","","","","1.101","","","","has coordinates","218153","2020-10-21","18:00:00",""
"2108564","11.984","0.003","9.537","0.002","26.808","0.007","90","","90","","90","","3063.9","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C144 H112 F16 N16 O8 -","8","1","","Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime","Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013271","","","0.71073","MoKα","","0.1282","0.0623","","","0.1498","0.183","","","","","","1.05","","","","has coordinates,has Fobs","242979","2020-10-21","18:00:00",""
"2108616","17.3785","0.0009","15.9864","0.0008","13.5477","0.001","90","","90","","90","","3763.8","0.4","293","5","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 O23 P2 U3 -","- Ca2 H14 O23 P2 U3 -","- Ca16 H112 O184 P16 U24 -","8","1","","Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon","Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005739","","x-ray","0.71073","MoKα","","0.0803","0.042","","","0.0647","0.0742","","","","1.31","1.31","1.22","","","","has coordinates,has Fobs","252370","2020-10-21","18:00:00",""
"2108638","16.643","0.003","6.1042","0.001","35.217","0.007","90","","90","","90","","3577.8","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.1309","0.0901","","","","0.2574","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","254276","2020-10-21","18:00:00",""
"2108644","10.3744","0.0014","16.379","0.002","19.851","0.003","90","","90","","90","","3373.1","0.8","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0497","0.0359","","","","0.0891","","","","","","1.017","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2109045","17.4279","0.0004","15.2522","0.0004","31.0253","0.0007","90","","90","","90","","8247","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N2 Se -","- C23 H30 N2 Se -","- C368 H480 N32 Se16 -","16","2","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0517","0.0361","","","0.0721","0.0777","","","","","","1.027","","","","has coordinates,has Fobs","277574","2022-09-02","02:02:57",""
"2200002","18.564","0.003","10.6834","0.0017","28.51","0.004","90","","90","","90","","5654.3","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl- 8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,5-d]pyrimidin-4(3H)-one","","- C28 H23 Cl4 N3 O2 S -","- C28 H23 Cl4 N3 O2 S -","- C224 H184 Cl32 N24 O16 S8 -","8","1","AC6207","Liu, Jian-Chao; He, Hong-Wu; Ding, Ming-Wu","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl-8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","Acta Crystallographica Section E","2005","61","11","o3686","o3687","10.1107/S1600536805032381","","","0.71073","MoKα","","0.1142","0.087","","","0.195","0.2112","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200040","7.2926","0.0002","9.3642","0.0003","13.1208","0.0005","90","","90","","90","","896.01","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Thiazolidine-2,4-dione","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","CF6032","Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.","Redetermination of 1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2001","57","1","o79","o80","10.1107/S1600536800020717","","","0.71073","MoKα","","0.035","0.031","","","","0.083","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","194444","2020-10-21","18:00:00",""
"2200048","10.796","0.0005","18.1687","0.0008","20.1886","0.001","90","","90","","90","","3960","0.3","200","3","200","3","","","","","","","","3","P b c a","-P 2ac 2ab","61","P2 I5 GaI4","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","","- Ga I9 P2 -","- Ga I9 P2 -","- Ga8 I72 P16 -","8","1","NA6005","Aubauer, Christoph; Klapötke, Thomas M.; Mayer, Peter","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","Acta Crystallographica Section E","2001","57","1","i1","i2","10.1107/S1600536800018419","","","0.71073","MoKα","","0.036","0.027","","","","0.076","","","","","","0.963","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200055","21.825","0.003","12.384","0.001","8.048","0.001","90","","90","","90","","2175.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethylenediammonium phthalate","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C80 H112 N16 O32 -","8","1","NA6013","Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.","Ethylenediammonium phthalate","Acta Crystallographica Section E","2001","57","1","o20","o21","10.1107/S1600536800018420","","","0.71073","MoKα","","0.108","0.039","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200080","10.148","0.002","14.251","0.003","18.103","0.004","90","","90","","90","","2618","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","OB6015","Lynch, Daniel E.; McClenaghan, Ian","(<i>E</i>)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","Acta Crystallographica Section E","2001","57","1","o52","o53","10.1107/S1600536800019607","","","0.71073","MoKα","","0.15","0.061","","","","0.17","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200081","12.721","0.003","7.8961","0.0016","16.617","0.003","90","","90","","90","","1669.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Chloro-4-methylquinoline","","- C10 H8 Cl N -","- C10 H8 Cl N -","- C80 H64 Cl8 N8 -","8","1","OB6016","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-4-methylquinoline","Acta Crystallographica Section E","2001","57","1","o54","o55","10.1107/S1600536800019590","","","0.71073","MoKα","","0.06","0.043","","","","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200102","13.189","0.003","8.577","0.002","20.195","0.004","90","","90","","90","","2284.5","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-2-methylthio-6-(piperidin-1-yl)pyrimidine","","- C10 H14 Cl N3 S -","- C10 H14 Cl N3 S -","- C80 H112 Cl8 N24 S8 -","8","1","BT6012","Lynch, Daniel E.; McClenaghan, Ian","4-Chloro-2-methylthio-6-(1-piperidyl)pyrimidine","Acta Crystallographica Section E","2001","57","3","o200","o201","10.1107/S1600536801001982","","","0.71073","MoKα","","0.0525","0.0412","","","","0.1165","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200108","7.566","0.016","7.39","0.02","14.04","0.03","90","","90","","90","","785","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H4 Mo2 N2 O6 -","- C4 H4 Mo2 N2 O6 -","- C16 H16 Mo8 N8 O24 -","4","0.5","BT6019","Liang, Yucang; Hong, Maochun; Cao, Rong; Sun, Daofeng; Weng, Jiabao","Polymeric tri-μ-oxo(pyrazine)molybdenum(VI)","Acta Crystallographica Section E","2001","57","4","m159","m161","10.1107/S160053680100441X","","","0.71073","MoKα","","0.0391","0.0345","","","","0.0856","","","","","","1.238","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200148","8.6209","0.0002","13.9266","0.0004","16.4518","0.0006","90","","90","","90","","1975.2","0.1","200","1","200","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]- isoindol-3-one","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","CI6010","Tam, William; Tranmer, Geoffrey K.; Lough, Alan J.","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1<i>H</i>,3<i>H</i>-furano[3,4-<i>c</i>]isoindol-3-one","Acta Crystallographica Section E","2001","57","3","o269","o270","10.1107/S1600536801003270","","","0.71073","MoKα","","0.06","0.043","","","","0.112","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200152","13.4255","0.0003","21.1335","0.0006","28.6552","0.0008","90","","90","","90","","8130.3","0.4","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(Benzylamine-N)(η^5^-cyclopentadienyl)bis(triphenylphosphine-P)ruthenium(II) tetrafluoroborate","","- C48 H44 B F4 N P2 Ru -","- C48 H44 B F4 N P2 Ru -","- C384 H352 B8 F32 N8 P16 Ru8 -","8","1","CI6016","Cabeza, Javier A.; del Río, Ignacio; Navarro, M. Elena; García-Granda, Santiago","(Benzylamine-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section E","2001","57","4","m162","m163","10.1107/S1600536801004469","","","1.54179","CuKα","","0.11","0.047","","","","0.133","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200153","34.115","0.006","10.4377","0.0017","7.484","0.003","90","","90","","90","","2664.9","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C120 H112 N16 O8 S8 -","8","1","CI6018","Scammells, Peter J.; Tranberg, C. Elisabet; Tiekink, Edward R. T.","6,7-Dimethyl-5-phenyl-1<i>H</i>-thieno[2,3-<i>e</i>][1,4]diazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2001","57","4","o344","o345","10.1107/S1600536801004585","","","0.7107","MoKα","","0.08","0.045","","","","0.152","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200159","9.0561","0.0004","11.533","0.0005","28.0118","0.0013","90","","90","","90","","2925.7","0.2","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4SR,6SR)-6-(2-Phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6H)-one","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","1","CV6005","Schlummer, Björn; Massa, Werner; Bach, Thorsten","A new heterocylic ring system in (4<i>SR</i>,6<i>SR</i>)-6-(2-phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","3","o252","o253","10.1107/S160053680100304X","","","1.54178","CuKα","","0.0518","0.0385","","","","0.1055","","","","","","1.047","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200163","19.028","0.003","19.166","0.003","9.4466","0.0005","90","","90","","90","","3445.1","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)- benzoate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","CV6009","Kubo, Kanji; Mori, Akira","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)benzoate","Acta Crystallographica Section E","2001","57","4","o328","o329","10.1107/S1600536801004445","","","0.71073","MoKα","","0.285","0.0544","","","","0.1581","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200169","14.7301","0.0002","12.0254","0.0002","23.796","0.0001","90","","90","","90","","4215.11","0.09","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-N-butyl-N-ethyldithiocarbamato-S:S')bis[(N-butyl-N- ethyldithiocarbamato)zinc(II)]","","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","- C112 H224 N16 S32 Zn8 -","4","0.5","NA6028","Baba, Ibrahim; Farina, Yang; Kassim, Karimah; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(μ-<i>N</i>-butyl-<i>N</i>-ethyldithiocarbamato-<i>S</i>:<i>S</i>')bis[(<i>N</i>-butyl-<i>N</i>-ethyldithiocarbamato)zinc(II)]","Acta Crystallographica Section E","2001","57","2","m55","m56","10.1107/S1600536800020808","","","0.71073","MoKα","","0.083","0.047","","","","0.144","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200179","10.7112","0.0003","10.8297","0.0003","23.6321","0.0005","90","","90","","90","","2741.3","0.12","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","NA6042","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; .; Insuasty, Braulio; Abonia, Rodrigo; Albornoz, Andrea; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline","Acta Crystallographica Section E","2001","57","2","o178","o179","10.1107/S1600536801001672","","","0.71073","MoKα","","0.0667","0.0446","","","","0.1115","","","","","","1.272","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200223","9.3725","0.0002","10.7012","0.0002","23.0919","0.0004","90","","90","","90","","2316.05","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-3-methoxy-3-methylsulfanylisothiochroman-4-one oxime","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","TK6001","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(<i>E</i>)-3-Methoxy-3-methylsulfanylisothiochroman-4-one oxime","Acta Crystallographica Section E","2001","57","3","o256","o257","10.1107/S1600536801002707","","","0.71073","MoKα","","","0.036","","","","0.043","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200228","15.428","0.001","9.346","0.002","22.506","0.005","90","","90","","90","","3245.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","","- C18 H15 Cl N2 O3 -","- C18 H15 Cl N2 O3 -","- C144 H120 Cl8 N16 O24 -","8","1","TK6008","Višnjevac, Aleksandar; Kojić-Prodić, Biserka","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1<i>H</i>-1,4-benzodiazepine-3-carboxylate","Acta Crystallographica Section E","2001","57","4","o356","o357","10.1107/S1600536801004093","","","0.7107","MoKα","","0.392","0.075","","","","0.214","","","","","","0.835","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200296","16.56","0.005","20.69","0.01","9.453","0.002","90","","90","","90","","3239","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C136 H176 O24 S8 -","8","1","CI6031","Ward, A. David; Ward, Virginia R.; Tiekink, Edward R. T.","3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one","Acta Crystallographica Section E","2001","57","6","o526","o527","10.1107/S1600536801008248","","","0.71069","MoKα","","0.119","0.04","","","","0.129","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200319","11.914","0.002","12.399","0.005","26.133","0.005","90","","90","","90","","3860.4","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-ylamine","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C184 H176 N32 O8 -","8","1","NA6079","Zrinka Banić Tomišić; Andreja Čempuh; Ivica Malnar","7-Cyclopentyl-5-(4-phenoxyphenyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine-4-ylamine, an lck tyrosine kinase inhibitor","Acta Crystallographica Section E","2001","57","6","o511","o513","10.1107/S1600536801007917","","","0.71069","MoKα","","0.4675","0.0614","","","","0.136","","","","","","0.841","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200333","14.016","0.0007","38.4862","0.0012","17.2175","0.0005","90","","90","","90","","9287.5","0.6","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[(μ-1,3-diphenylpropane-1,3-dionato-O,O':O')dimethylthallium]","","- C34 H34 O4 Tl2 -","- C34 H34 O4 Tl2 -","- C408 H408 O48 Tl24 -","12","1.5","OM6014","Britton, Doyle","Bis[(μ-1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>':<i>O</i>')dimethylthallium], [(CH~3~)~2~Tl(bzbz)]~2~","Acta Crystallographica Section E","2001","57","5","m176","m178","10.1107/S1600536801005311","","","0.71073","MoKα","","0.057","0.046","","","","0.107","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200376","6.719","0.001","18.024","0.001","10.826","0.002","90","","90","","90","","1311.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium Silver Thiocyanate","","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","BR6023","Valkonen, Jussi; Günes, Minna","Potassium silver thiocyanate","Acta Crystallographica Section E","2001","57","7","i52","i54","10.1107/S1600536801009679","","","0.71073","MoKα","","0.0924","0.0362","","","","0.0953","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200380","7.9362","0.0003","8.522","0.0003","9.1762","0.0004","90","","90","","90","","620.61","0.04","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Fronczek, Frank R.; Aubry, David A.; Stanley, George G.","Refinement of lithium tetrahydroxoborate with low-temperature CCD data","Acta Crystallographica, Section E","2001","57","","i62","i63","10.1107/S1600536801011163","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200383","9.669","0.005","17.063","0.009","17.875","0.01","90","","90","","90","","2949","3","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 1-phenyl-3-sulfanyl-5-(4H-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","","- C15 H15 N5 O2 S -","- C15 H15 N5 O2 S -","- C120 H120 N40 O16 S8 -","8","1","BT6051","Wei-Qiang Chen; Miao Du; Lin-Hong Weng; Gui-Yu Jin","Ethyl 1-phenyl-3-sulfanyl-5-(4<i>H</i>-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","Acta Crystallographica Section E","2001","57","7","o619","o621","10.1107/S1600536801010091","","","0.71073","MoKα","","0.0611","0.038","","","","0.1106","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200413","9.7545","0.0006","12.0427","0.0009","13.5242","0.0018","90","","90","","90","","1588.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-amino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C6 H6 N4 O2 S -","- C6 H6 N4 O2 S -","- C48 H48 N32 O16 S8 -","8","1","CF6076","Dupont, Léon; De Tullio, Pascal; Boverie, Stéphane; Pirotte, Bernard","3-Amino-4<i>H</i>-pyrido[2,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o602","o603","10.1107/S1600536801009904","","","1.5418","CuKα","","0.0459","0.0316","","","","0.0895","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200415","7.323","0.003","26.98","0.004","6.897","0.004","90","","90","","90","","1362.7","1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","0.5","CF6080","Cohen, Peter A.; Robinson, Paul D.","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid)","Acta Crystallographica Section E","2001","57","7","o596","o598","10.1107/S160053680100914X","","","0.71069","MoKα","","0.068","0.035","","","","0.11","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200437","10.455","0.003","13.83","0.004","28.548","0.01","90","","90","","90","","4128","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","","- C21 H20 Cl2 N4 Ni O -","- C21 H20 Cl2 N4 Ni O -","- C168 H160 Cl16 N32 Ni8 O8 -","8","1","CI6029","Fontaine, Frédéric-Georges","<i>cis</i>-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","Acta Crystallographica Section E","2001","57","7","m270","m271","10.1107/S1600536801007838","","","1.54056","CuKα","","0.088","0.047","","0.112","","0.101","","","0.79","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200441","10.065","0.002","23.178","0.004","9.077","0.003","90","","90","","90","","2117.5","0.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Cl N4 -","- C11 H9 Cl N4 -","- C88 H72 Cl8 N32 -","8","1","CI6034","Pifferi, Augusto; Camalli, Mercedes; Silvestri, Romano; De Martino, Gabriella; Massa, Silvio; Artico, Marino","1-Amino-6-chloro-2-(1<i>H</i>-pyrrol-2-yl)benzimidazole (RS 1350)","Acta Crystallographica Section E","2001","57","9","o819","o821","10.1107/S1600536801010856","","","0.71069","MoKα","","0.042","0.042","","0.07","","0.07","","","0.97","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200463","9.1308","0.0011","14.0077","0.0019","19.012","0.003","90","","90","","90","","2431.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N6 P2 Pd -","- C18 H24 Cl2 N6 P2 Pd -","- C72 H96 Cl8 N24 P8 Pd4 -","4","0.5","CV6031","Lawrence, Simon E.; Kelly, Maureen; Ní Dhubhghaill, Orla M.","Dichloro-<i>trans</i>-bis[tris(2-cyanoethyl)phosphine]palladium(II)","Acta Crystallographica Section E","2001","57","7","m272","m273","10.1107/S1600536801009278","","","0.71069","MoKα","","0.0385","0.0266","","","","0.0762","","","","","","1.188","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200471","12.978","0.002","16.518","0.002","23.95","0.004","90","","90","","90","","5134.2","1.3","213.2","","213.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cl2 Cu N6 O8 -","- C20 H34 Cl2 Cu N6 O8 -","- C160 H272 Cl16 Cu8 N48 O64 -","8","1","CV6040","Daly, Robert I.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.","{2-(4,7-Dimethyl-1,4,7-triazacyclonon-1-yl)-<i>N</i>-methyl-<i>N</i>-[(1-methylbenzimidazol-2-yl)methyl]ethylamine}copper(II) bis(perchlorate)","Acta Crystallographica Section E","2001","57","8","m355","m356","10.1107/S1600536801011540","","","1.5418","CuKα","","","0.054","","","","0.165","","","","","","1.377","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200485","14.4988","0.0002","17.1659","0.0001","18.1536","0.0005","90","","90","","90","","4518.16","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","","- C32 H42 O20 S4 Zn4 -","- C32 H42 O20 S4 Zn4 -","- C128 H168 O80 S16 Zn16 -","4","0.5","NA6080","Wang, Ruihu; Hong, Maochun; Liang, Yucang; Cao, Rong","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","Acta Crystallographica Section E","2001","57","7","m277","m279","10.1107/S1600536801009175","","","0.71073","MoKα","","0.0997","0.052","","","","0.1275","","","","","","1.051","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200494","13.259","0.005","14.383","0.004","15.635","0.004","90","","90","","90","","2981.7","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl4 O2 -","- C14 H14 Cl4 O2 -","- C112 H112 Cl32 O16 -","8","1","NA6090","Blake, Alexander J.; Dietel, Anja; Li, Wan-Sheung; Thomas, Neil R.; Marr, Andrew C.","1,2,3,4-Tetrachloro-11,11-dimethoxy-1,4,5,6,9,10-hexahydro-<i>endo</i>-1,4-<i>exo</i>-6,9-dimethanonaphthalene","Acta Crystallographica Section E","2001","57","8","o790","o791","10.1107/S1600536801011564","","","0.71073","MoKα","","0.044","0.035","","","","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200548","16.181","0.002","11.625","0.002","7.938","0.003","90","","90","","90","","1493.2","0.6","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C64 H64 O32 -","8","1","WN6027","Okabe, Nobuo; Kyoyama, Hasuyo","3,4-Dihydroxyphenylacetic acid","Acta Crystallographica Section E","2001","57","8","o715","o716","10.1107/S1600536801011151","","","0.7107","MoKα","","","0.0511","","","","0.2202","","","","","","0.842","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200561","9.577","0.003","16.039","0.003","16.127","0.002","90","","90","","90","","2477.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-methyl-2-methyl-3-furanthiocarboxanilyd","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","1","WN6043","Popović, Jasminka; Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna","<i>N</i>,2-Dimethyl-3-furanthiocarboxanilide","Acta Crystallographica Section E","2001","57","9","o893","o894","10.1107/S1600536801013472","","","0.71073","MoKα","","0.1336","0.0531","","","","0.1667","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200566","22.97","0.006","20.005","0.004","8.048","0.002","90","","90","","90","","3698.2","1.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichloro-bis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate","","- C38 H34 Cl6 Ni P2 -","- C38 H34 Cl6 Ni P2 -","- C152 H136 Cl24 Ni4 P8 -","4","0.5","YA6032","Batsanov, Andrei S.; Howard, Judith A. K.","<i>trans</i>-Dichlorobis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate: redetermination at 120K","Acta Crystallographica Section E","2001","57","7","m308","m309","10.1107/S1600536801008741","","","0.71073","MoKα","","0.04","0.029","","","","0.074","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200596","18.3417","0.0018","18.3164","0.0018","23.547","0.002","90","","90","","90","","7910.7","1.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Bis(diphenylphosphino)methane-2κ^2^P,P']-μ-carbonyl-1:2κC-carbonyl-1κC- [1(η^5^)-cyclopentadienyl](μ-phenylvinylidene-1:2κ^2^C)manganeseplatinum- (Mn—Pt) diethyl ether solvate","","- C44 H43 Mn O3 P2 Pt -","- C44 H43 Mn O3 P2 Pt -","- C352 H344 Mn8 O24 P16 Pt8 -","8","1","BT6085","Dolgushin, Fedor M.; Deykhina, Nina A.; Pogrebnyakov, Dmitry A.; Antonova, Alla B.","The binuclear μ-phenylvinylidene complex (η^5^-C~5~H~5~)(CO)(μ-CO)MnPt(μ-C=CHPh)(η^2^-Ph~2~PCH~2~PPh~2~)·Et~2~O","Acta Crystallographica Section E","2001","57","11","m541","m542","10.1107/S1600536801017500","","","0.71073","MoKα","","0.092","0.054","","","","0.129","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200635","14.191","0.002","10.655","0.001","15.917","0.002","90","","90","","90","","2406.7","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dichlorobis(sarcosinato)zinc(II)","Dichlorobis(sarcosinato)zinc(II)","","- C6 H14 Cl2 N2 O4 Zn -","- C6 H14 Cl2 N2 O4 Zn -","- C48 H112 Cl16 N16 O32 Zn8 -","8","1","CI6057","Subha Nandhini, M.; Krishnakumar, R. V.; Natarajan, S.","Dichlorobis(sarcosinato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m435","m437","10.1107/S1600536801014775","","","1.5418","CuKα","","0.031","0.028","","","","0.075","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200647","8.9118","0.0018","9.4953","0.0019","23.628","0.005","90","","90","","90","","1999.4","0.7","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cinnamonylaceton","6-phenyl-hex-5-ene-2,3-dione","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","1","CI6070","Arrieta, Antonio F.; Arvid Mostad","Orthorhombic form of 6-phenylhex-5-ene-2,4-dione","Acta Crystallographica Section E","2001","57","12","o1198","o1199","10.1107/S1600536801018669","","","0.71073","MoKα","","0.051","0.041","","","","0.137","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200655","7.266","0.002","13.925","0.003","30.327","0.006","90","","90","","90","","3068.5","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[dicyanamidobis(3-hydroxypyridine-N)copper(II)]-μ-dicyanamido]","","- C14 H10 Cu N8 O2 -","- C14 H10 Cu N8 O2 -","- C112 H80 Cu8 N64 O16 -","8","1","CV6054","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[dicyanamidobis(3-hydroxypyridine-<i>N</i>)copper(II)]-μ-dicyanamido]","Acta Crystallographica Section E","2001","57","10","m421","m423","10.1107/S160053680101460X","","","1.5418","CuKα","","0.0543","0.0407","","","","0.1198","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200662","11.918","0.0002","15.97","0.0002","33.193","0.0006","90","","90","","90","","6317.64","0.17","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","","- C30 H28 Co N6 O4 S2 -","- C30 H28 Co N6 O4 S2 -","- C240 H224 Co8 N48 O32 S16 -","8","1","CV6061","Goutam Kumar Patra; Israel Goldberg","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2001","57","10","m483","m484","10.1107/S1600536801015446","","","0.71073","MoKα","","0.1039","0.0456","","","","0.1147","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200669","8.9295","0.0018","14.792","0.003","25.812","0.005","90","","90","","90","","3409.4","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Cl P Rh -","- C14 H27 Cl P Rh -","- C112 H216 Cl8 P8 Rh8 -","8","1","CV6068","Wendt Ola F.","Chloro(methyl)(η^5^-pentamethylcyclopentadienyl)(trimethylphosphine)rhodium(III)","Acta Crystallographica Section E","2001","57","11","m517","m518","10.1107/S1600536801016798","","","0.71073","MoKα","","0.1201","0.0537","","","","0.1652","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200684","12.7109","0.0001","14.1115","0.0002","27.0317","0.0003","90","","90","","90","","4848.67","0.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","mer,trans-{2,6-bis[(dimethylamino)methyl]pyridine}dichloropyridineruthenium(II) toluene solvate","","- C23 H32 Cl2 N4 Ru -","- C23 H32 Cl2 N4 Ru -","- C184 H256 Cl16 N32 Ru8 -","8","1","NA6084","Back, Stephan; Rheinwald, Gerd; del Río, Ignacio; van Koten, Gerard; Lang, Heinrich","[<i>mer,trans</i>-(NN'N)RuCl~2~(NC~5~H~5~)]·C~7~H~8~ {NN'N = 2,6-bis-[(dimethylamino)methyl]pyridine}","Acta Crystallographica Section E","2001","57","10","m444","m445","10.1107/S1600536801014878","","","0.71073","MoKα","","0.069","0.0515","","","","0.1171","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200699","13.5783","0.0003","15.2608","0.0003","17.5449","0.0004","90","","90","","90","","3635.58","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N10 Ni O -","- C15 H18 N10 Ni O -","- C120 H144 N80 Ni8 O8 -","8","1","NA6105","De-Zhong Niu; Bai-Wang Sun; Zai-Sheng Lu; Zhe-Ming Wang; Chun-Hua Yan","Diazido{<i>N,N</i>'-bis[2-(2-pyridyl)ethylene]-1,3-diaminopropane}nickel(II) monohydrate","Acta Crystallographica Section E","2001","57","12","m589","m590","10.1107/S1600536801019663","","","0.71073","MoKα","","0.0719","0.0376","","","","0.1003","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200740","7.7561","0.0001","10.8931","0.0002","34.012","0.0006","90","","90","","90","","2873.6","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Propenyl 4-ferrocenyl-4-oxobutanoate","","- C17 H18 Fe O3 -","- C17 H18 Fe O3 -","- C136 H144 Fe8 O24 -","8","1","OM6053","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","2-Propenyl 4-ferrocenyl-4-oxobutanoate","Acta Crystallographica Section E","2001","57","10","m426","m427","10.1107/S1600536801014659","","","0.71073","MoKα","","0.073","0.039","","","","0.091","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200766","7.6427","0.0014","11.035","0.002","37.95","0.005","90","","90","","90","","3200.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2SR,4RS)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C112 H168 I8 O16 S8 -","8","1","WN6046","Guido J. Reiß; Marek Masnyk","(2<i>SR</i>,4<i>RS</i>)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o959","o960","10.1107/S1600536801015069","","","0.71073","MoKα","","0.0722","0.0374","","","","0.0686","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200806","12.1298","0.0017","9.5303","0.0013","17.144","0.002","90","","90","","90","","1981.9","0.5","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis-Tris","","","- C8 H19 N O5 -","- C8 H19 N O5 -","- C64 H152 N8 O40 -","8","1","YA6068","Nicholson, Kirsten N.; Twamley, Brendan; Wood, Scott","[Bis(2-hydroxyethyl)amino]tris(hydroxymethyl)methane (Bis‒Tris), an important complexing agent","Acta Crystallographica Section E","2001","57","11","o1133","o1135","10.1107/S1600536801017974","","","0.71073","MoKα","","0.043","0.034","","","","0.084","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200810","13.1374","0.0003","13.2089","0.0003","19.7506","0.0004","90","","90","","90","","3427.33","0.13","291","1","291","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","YA6074","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{5,5-Dimethyl-3-[2-(2-methoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","12","o1166","o1167","10.1107/S1600536801018700","","","0.71073","MoKα","","0.137","0.049","","","","0.125","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200819","10.671","0.002","7.767","0.002","12.876","0.003","90","","90","","90","","1067.2","0.4","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium potassium tungstate monohydrate","","- H2 K Li O5 W -","- H2 K Li O5 W -","- H16 K8 Li8 O40 W8 -","8","1","BR6043","Radosavljevic Evans, I.; Howard, Judith A. K.","Lithium potassium tungstate monohydrate, LiKWO~4~·H~2~O","Acta Crystallographica Section E","2002","58","3","i26","i28","10.1107/S1600536802002817","","","0.71073","MoKα","","","0.0197","","","","0.0201","","","","","","1.0055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200825","14.7176","0.0002","14.768","0.0002","23.586","0.0003","90","","90","","90","","5126.41","0.12","291","1","291","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C18 H16 -","- C18 H16 -","- C288 H256 -","16","2","BT6095","Jovanovic, Jovan; Elling, Wilhelm; Schürmann, Markus; Preut, Hans; Spiteller, Michael","(<i>Z</i>)-2,3,2',3'-Tetrahydro-[1,1']biindenylidene","Acta Crystallographica Section E","2002","58","1","o35","o36","10.1107/S1600536801021092","","","0.71073","MoKα","","0.0909","0.0416","","","0.0996","0.1106","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200875","8.4663","0.001","22.384","0.002","12.216","0.003","90","","90","","90","","2315","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-phenyl-2-propenal","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","CI6085","Parthasarathi, V.; Praveen, V. N.; Thamotharan, S.; Vijayalakshmi, L.; Bhaskar, A.","1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2002","58","1","o86","o87","10.1107/S1600536801021328","","","1.5418","CuKα","","0.07","0.044","","","0.109","0.129","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200892","10.8487","0.0001","12.6944","0.0001","32.6567","0.0003","90","","90","","90","","4497.41","0.07","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dimethyl 1,3-Dichloro-8-phenyl-5-phenylsulfanyl-isoquinoline-6,7-dicarboxylate","","- C25 H17 Cl2 N O4 S -","- C25 H17 Cl2 N O4 S -","- C200 H136 Cl16 N8 O32 S8 -","8","1","CV6083","Hoong-Kun Fun; Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Tarun K. Sarkar; Sankar Basak; Naranjan Panda","Dimethyl 1,3-dichloro-8-phenyl-5-phenylsulfanylisoquinoline-6,7-dicarboxylate","Acta Crystallographica Section E","2002","58","3","o215","o217","10.1107/S1600536802000958","","","0.71073","MoKα","","0.0813","0.0522","","","0.1269","0.1381","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200894","7.9406","0.0001","9.4695","0.0002","31.1671","0.0005","90","","90","","90","","2343.56","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Nitrobenzanilide","N-phenyl-2-nitrobenzamide","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","CV6088","Jackson, Roxanne Jean; Parvez, Masood; Nizami, Shaikh S.; Khan, Reem Y.","<i>N</i>-Phenyl-2-nitrobenzamide, an acridone alkaloid precursor","Acta Crystallographica Section E","2002","58","3","o282","o284","10.1107/S1600536802002489","","","0.71073","MoKα","","0.063","0.042","","","0.115","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200895","8.3669","0.0002","13.5769","0.0004","25.2554","0.0009","90","","90","","90","","2868.93","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cirsimaritin","(5,4'-Dihydroxy-6,7-dimethoxyflavone)","","- C17 H14 O6 -","- C17 H14 O6 -","- C136 H112 O48 -","8","1","CV6089","Chou, Nancy Hieu-Hong; Parvez, Masood; Ali, Muhammad Shaiq; Ahmed, Shakeel; Ahmed, Waqar","Cirsimaritin","Acta Crystallographica Section E","2002","58","3","o285","o287","10.1107/S1600536802002660","","","0.71073","MoKα","","0.086","0.048","","","0.134","0.157","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200913","9.0609","0.0004","14.7671","0.0006","14.8106","0.0006","90","","90","","90","","1981.71","0.14","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H8 Na O10 P3 Zn -","- H8 Na O10 P3 Zn -","- H64 Na8 O80 P24 Zn8 -","8","1","MG6002","Ouarsal, Rachid; Alaoui Tahiri, Aziz; El Bali, Brahim; Lachkar, Mohammed; Harrison, William T. A.","Sodium zinc tris(dihydrogenphosphite) hydrate, NaZn(H~2~PO~3~)~3~·H~2~O","Acta Crystallographica Section E","2002","58","3","i23","i25","10.1107/S1600536802002209","","","0.71073","MoKα","","0.04","0.0249","","","0.0545","0.0574","","","","","","0.943","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200918","13.0859","0.0014","11.4837","0.0013","22.422","0.002","90","","90","","90","","3369.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","1","NA6113","Yu Zhang; Yizhi Li; Hanbin Tao; Longgen Zhu","4-(Antipyrin-4-yliminomethyl)benzoic acid","Acta Crystallographica Section E","2002","58","1","o24","o26","10.1107/S1600536801020207","","","0.71073","MoKα","","0.0889","0.0453","","","0.0714","0.0764","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200938","19.568","0.0019","10.6989","0.001","21.617","0.002","90","","90","","90","","4525.7","0.7","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 N4 O10 Zn2 -","- C48 H48 N4 O10 Zn2 -","- C192 H192 N16 O40 Zn8 -","4","0.5","NA6135","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Tetrakis(μ-benzoato)bis[(<i>N,N</i>-diethylnicotinamide)zinc(II)]","Acta Crystallographica Section E","2002","58","3","m121","m122","10.1107/S1600536802002088","","","0.71073","MoKα","","0.0303","0.0275","","","0.0701","0.0725","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200993","13.113","0.001","20.926","0.002","10.6378","0.0008","90","","90","","90","","2919","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl4 Cu2 N6 -","- C26 H28 Cl4 Cu2 N6 -","- C104 H112 Cl16 Cu8 N24 -","4","0.5","WW6004","Yoon, Doo-Cheon; Oh, Chang-Eon; Lee, Uk","[μ-<i>N,N,N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)-1,2-ethanediamine]bis[dichlorocopper(II)]","Acta Crystallographica Section E","2002","58","3","m113","m115","10.1107/S1600536802002866","","","0.71073","MoKα","","0.0992","0.0567","","","0.1117","0.1359","","","","","","1.162","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200994","11.2035","0.0015","9.2977","0.0013","22.738","0.003","90","","90","","90","","2368.5","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Acetamido-1-(1-naphthyl)ethylene","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","WW6005","Jia, Xian; Li, Xingshu; Zhou, Zhongyuan; Guo, Rongwei; Chen, Yubin; Yao, Xinsheng","1-Acetamido-1-(1-naphthyl)ethylene","Acta Crystallographica Section E","2002","58","3","o250","o251","10.1107/S1600536802001988","","","0.71073","MoKα","","0.1166","0.0469","","","0.1264","0.1541","","","","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200995","8.0792","0.0001","10.6879","0.0002","24.5704","0.0005","90","","90","","90","","2121.65","0.06","123","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C88 H112 O40 -","8","1","WW6006","Greatrex, Ben W.; Kimber, Marc C.; Taylor, Dennis K.; Fallon, Gary D.","(±)-2,5-Dioxoperhydrocycloocta[<i>b</i>]furan-3-carboxylic acid","Acta Crystallographica Section E","2002","58","3","o248","o249","10.1107/S1600536802001964","","","0.71073","MoKα","","","0.0429","","","","0.0954","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201022","10.0526","0.0005","13.5979","0.0006","24.7047","0.0016","90","","90","","90","","3377","0.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cis-[4a]-cisoid-[4a,4b]-cis-[4b]-4b,8b-Diethyl-1,3,5,7-tetramethylperhydro- 1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C128 H192 N32 O32 -","8","1","BT6120","Näther, Christian; Krüger, Oliver; Wille, Uta","<i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-4b,8b-Diethyl-1,3,5,7-tetramethylperhydro-1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","Acta Crystallographica Section E","2002","58","4","o407","o408","10.1107/S1600536802004464","","","0.71073","MoKα","","0.0502","0.045","","","0.1233","0.1282","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201024","15.2661","0.0009","14.4367","0.0008","15.72","0.0012","90","","90","","90","","3464.6","0.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cis-[4a]-cisoid-[4a,4b]-cis-[4b]-4b-Ethyl-1,3,5,7,8b-pentamethylperhydro- 1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C128 H192 N32 O32 -","8","1","BT6122","Näther, Christian; Krüger, Oliver; Wille, Uta","<i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-4b-Ethyl-1,3,5,7,8b-hexamethylperhydro-1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","Acta Crystallographica Section E","2002","58","4","o411","o412","10.1107/S1600536802004488","","","0.71073","MoKα","","0.0456","0.0398","","","0.1064","0.1112","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201029","11.0278","0.0002","7.7486","0.0005","15.7861","0.0007","90","","90","","90","","1348.92","0.11","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-Dihydro-2-hydroxybenzo[b]furan-3-one","","- C8 H6 O3 -","- C8 H6 O3 -","- C64 H48 O24 -","8","1","BT6129","Kresge, A. J.; Lough, Alan J.; Meng, Q.","2,3-Dihydro-2-hydroxybenzo[<i>b</i>]furan-3-one","Acta Crystallographica Section E","2002","58","5","o495","o497","10.1107/S160053680200572X","","","0.71073","MoKα","","0.045","0.038","","","0.1","0.106","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201038","13.91","0.0002","7.989","0.0006","16.408","0.0007","90","","90","","90","","1823.37","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","1","BT6138","Robin, Maxime; Galy, Jean-Pierre; Kenz, Ahmed; Pierrot, Marcel","<i>N</i>-(4-Amino-2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2002","58","6","o644","o645","10.1107/S1600536802008061","","","0.71073","MoKα","","0.0893","0.0627","","","0.1905","0.2247","","","","","","1.205","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201046","15.48","0.003","5.9692","0.0009","27.962","0.005","90","","90","","90","","2583.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Bibromophenyl 4-bromophenyl ether","","- C12 H7 Br3 O -","- C12 H7 Br3 O -","- C96 H56 Br24 O8 -","8","1","BT6146","Eriksson, Lars; Hu, Jiwei","4-Bromophenyl 2,4-dibromophenyl ether","Acta Crystallographica Section E","2002","58","6","o696","o698","10.1107/S1600536802008693","","","0.71073","MoKα","","0.0892","0.0349","","","0.0398","0.0442","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201064","13.763","0.004","11.909","0.004","20.357","0.006","90","","90","","90","","3336.6","1.8","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis(1-bromo-9-chlorohomocub-9-yl) ether","1-bromo-9-(7-bromo-8-chloropentacyclo[4.3.0.0^2,5^.0^3,9^.0^4,7^]non-8-yloxy)- 9-chloropentacyclo[4.3.0.0^2,5^.0^3,8^.0^4,7^]nonane","","- C18 H14 Br2 Cl2 O -","- C18 H14 Br2 Cl2 O -","- C144 H112 Br16 Cl16 O8 -","8","1","CF6171","Tang, Datong; Gilardi, Richard; Eaton, Philip E.","Bis(1-bromo-9-chlorohomocub-9-yl) ether","Acta Crystallographica Section E","2002","58","6","o618","o619","10.1107/S1600536802007717","","","0.71073","MoKα","","0.036","0.0224","","","0.0436","0.0448","","","","","","0.861","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201075","8.9909","0.0017","14.814","0.003","20.469","0.004","90","","90","","90","","2726.3","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-acetyl-N-[1-(2-naphthalenyl)ethenyl]-acetamide","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","CI6098","Jia, Xian; Li, Xingshu; Zhou, Zhongyuan; You, Song; Chen, Yubin; Yao, Xinsheng","<i>N</i>-Acetyl-<i>N</i>-[1-(2-naphthalenyl)ethenyl]acetamide","Acta Crystallographica Section E","2002","58","4","o438","o439","10.1107/S160053680200466X","","","0.71073","MoKα","","0.192","0.047","","","0.107","0.164","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201101","11.2558","0.0006","14.5078","0.0007","31.395","0.0017","90","","90","","90","","5126.7","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N4 S4 Zn -","- C24 H28 N4 S4 Zn -","- C192 H224 N32 S32 Zn8 -","8","1","CM6006","Guo, Tengwen; Lai, Chian Sing; Tan, Xi Jie; Teo, Chin Seng; Tiekink, Edward R. T.","(4,7-Dimethyl-1,10-phenanthroline)bis(pyrrolinedithiocarbamato)zinc(II)","Acta Crystallographica Section E","2002","58","5","m239","m241","10.1107/S1600536802007572","","","0.71069","MoKα","","0.054","0.043","","","0.106","0.112","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201122","8.824","0.001","10.547","0.001","18.928","0.002","90","","90","","90","","1761.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Butanediammonium chromate","","- C4 H14 Cr N2 O4 -","- C4 H14 Cr N2 O4 -","- C32 H112 Cr8 N16 O32 -","8","1","DN6024","Chebbi, Hammouda; Driss, Ahmed","1,4-Butanediammonium chromate","Acta Crystallographica Section E","2002","58","4","m147","m149","10.1107/S1600536802003975","","","0.71073","MoKα","","0.0316","0.0237","","","0.0702","0.0745","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201146","7.611","0.004","17.137","0.005","26.161","0.01","90","","90","","90","","3412","2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-3,6-Bis(chlorophenylmethylene)-1,2,4,5-tetrathiane","","- C16 H10 Cl2 S4 -","- C16 H10 Cl2 S4 -","- C128 H80 Cl16 S32 -","8","1","NA6154","Jones, Peter G.; Bubenitschek, Peter; Sander, Wolfram; Wierlacher, Stefan","<i>trans</i>-3,6-Bis(chlorophenylmethylene)-1,2,4,5-tetrathiane","Acta Crystallographica Section E","2002","58","5","o555","o556","10.1107/S1600536802006372","","","0.71073","MoKα","","0.0577","0.0487","","","0.1295","0.1396","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201179","6.3673","0.0005","11.3245","0.0009","28.297","0.002","90","","90","","90","","2040.4","0.3","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","sodium 2-[N-morpholino]ethanesulfonate hydrate","","- C6 H14 N Na O5 S -","- C6 H14 N Na O5 S -","- C48 H112 N8 Na8 O40 S8 -","8","1","OM6085","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford","Sodium 2-(<i>N</i>-morpholino)ethanesulfonate monohydrate","Acta Crystallographica Section E","2002","58","5","m167","m168","10.1107/S160053680200541X","","","0.71073","MoKα","","0.04","0.0356","","","0.0867","0.0889","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201214","7.623","0.003","12.762","0.004","28.155","0.007","90","","90","","90","","2739.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N-(1,1-dimethylethyl)-9-acridinamine","","- C17 H18 N2 -","- C17 H18 N2 -","- C136 H144 N16 -","8","1","YA6091","Joanna Meszko; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(<i>tert</i>-Butylamino)acridine","Acta Crystallographica Section E","2002","58","4","o458","o460","10.1107/S1600536802005111","","","0.71073","MoKα","","0.072","0.044","","","0.11","0.129","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201290","16.38","0.004","15.653","0.003","24.074","0.004","90","","90","","90","","6172","2","178","2","178","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{N-[tert-Butyl(phenyl)phosphino]-N'-diphenylphosphino-N,N'-dimethylurea- P,P'}dichloroplatinum(II) chloroform solvate","","- C26 H31 Cl5 N2 O P2 Pt -","- C26 H31 Cl5 N2 O P2 Pt -","- C208 H248 Cl40 N16 O8 P16 Pt8 -","8","1","BT6178","Jones, Peter G.; Schmutzler, Reinhard; Vogt, Roland","{<i>N</i>-[<i>tert</i>-Butyl(phenyl)phosphino]-<i>N</i>'-diphenylphosphino-<i>N</i>,<i>N</i>'-dimethylurea-<i>P</i>,<i>P</i>'}dichloroplatinum(II) chloroform solvate","Acta Crystallographica Section E","2002","58","9","m476","m477","10.1107/S1600536802014083","","","0.71073","MoKα","","0.0712","0.0336","","","0.0716","0.0866","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201292","15.89","0.002","11.2944","0.0016","21.125","0.003","90","","90","","90","","3791.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Modified amino acid","Macrocyclic cyclophane-based unusual amino acid","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C168 H184 N8 O24 -","4","0.5","BT6180","Lakshminarasimhan Damodharan; B. Syed Ibrahim; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","<i>anti</i>-2,19-Diethoxycarbonyl-2,19-diformylamino[3.2.3.2]paracyclophane","Acta Crystallographica Section E","2002","58","9","o1038","o1039","10.1107/S1600536802015313","","","0.71073","MoKα","","0.1052","0.0674","","","0.1586","0.1788","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201308","18.728","0.002","17.031","0.0016","7.758","0.003","90","","90","","90","","2474.5","1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Propyl mesityl sulfone","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C96 H144 O16 S8 -","8","1","BT6197","Meyers, Cal Y.; Roper, William; Klavetter, Floyd; Horii, T.; Sandrock, Paul B.; Robinson, Paul D.","2-Propyl mesityl sulfone","Acta Crystallographica Section E","2002","58","10","o1166","o1168","10.1107/S1600536802017580","","","0.71069","MoKα","","0.078","0.036","","","0.102","0.12","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201331","11.3201","0.0018","14.422","0.002","17.073","0.003","90","","90","","90","","2787.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(2-pyridylmethyl)ammonium perchlorate","","- C12 H14 Cl N3 O4 -","- C12 H14 Cl N3 O4 -","- C96 H112 Cl8 N24 O32 -","8","1","CF6188","Ray J. Butcher; Yilma Gultneh; A. Raza Khan","Bis(2-pyridylmethyl)ammonium perchlorate","Acta Crystallographica Section E","2002","58","8","o858","o859","10.1107/S1600536802012527","","","0.71073","MoKα","","0.0871","0.0554","","","0.1358","0.1559","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201347","24.106","0.002","20.763","0.002","11.8193","0.0007","90","","90","","90","","5915.7","0.8","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 B N O5 -","- C34 H36 B N O5 -","- C272 H288 B8 N8 O40 -","8","1","CF6204","Wolfgang Kliegel; Ute Schumacher; Brian O. Patrick; Steven J. Rettig; James Trotter","A diphenylboron chelate of an <i>N</i>-alkyl-2,2-diarylglycolohydroxamic acid","Acta Crystallographica Section E","2002","58","10","o1095","o1097","10.1107/S1600536802016124","","","0.71073","MoKα","","0.106","0.04","","0.038","","0.038","","","1.96","","","1.96","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201411","13.5826","0.0002","10.6063","0.0002","14.326","0.0003","90","","90","","90","","2063.82","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methoxybenzaldehyde thiosemicarbazone","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C72 H88 N24 O8 S8 -","8","1","CI6177","S. Selvanayagam; M. Yogavel; V. Rajakannan; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun","2-Methoxybenzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2002","58","12","o1336","o1338","10.1107/S160053680201961X","","","0.71073","MoKα","","0.0694","0.0436","","","0.1153","0.1259","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201429","17.805","0.004","37.831","0.014","19.3318","0.0018","90","","90","","90","","13022","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tris[bis(diphenylphosphino)methane]rhenium(I) perrhenate","","- C75 H66 O4 P6 Re2 -","- C75 H66 O4 P6 Re2 -","- C600 H528 O32 P48 Re16 -","8","1","CV6110","Kenton H. Whitmire; Daniel R. Derringer; Kimberly R. Kongkasuwan","Tris[bis(diphenylphosphino)methane-κ^2^<i>P,P</i>']rhenium(I) perrhenate","Acta Crystallographica Section E","2002","58","7","m363","m365","10.1107/S1600536802010838","","","0.71069","MoKα","","0.0874","0.0455","","","0.0974","0.1148","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201443","15.2751","0.0014","15.498","0.002","16.835","0.002","90","","90","","90","","3985.4","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(propane-1,3-diamine)nickel(II) tetrafluoroborate.","","- C9 H30 B2 F8 N6 Ni -","- C9 H30 B2 F8 N6 Ni -","- C72 H240 B16 F64 N48 Ni8 -","8","1","CV6130","Roger D. Willett; Firas F. Awwadi","Tris(propane-1,3-diamine)nickel(II) bis(tetrafluoroborate)","Acta Crystallographica Section E","2002","58","9","m471","m472","10.1107/S1600536802014113","","","0.71073","MoKα","","0.1529","0.0594","","","0.1088","0.1392","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201454","7.4455","0.0007","15.31","0.003","29.487","0.003","90","","90","","90","","3361.2","0.8","295","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Cl2 F N3 O2 -","- C17 H16 Cl2 F N3 O2 -","- C136 H128 Cl16 F8 N24 O16 -","8","1","CV6142","Özbey, Süheyla; Kaynak, F. Betül; Kus̨, Canan; Göker, Hakan","2-(2,4-Dichlorophenyl)-5-fluoro-6-morpholin-4-yl-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2002","58","10","o1062","o1064","10.1107/S1600536802015842","","","0.71073","MoKα","","","0.0382","","","","0.1064","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201464","21.372","0.003","14.705","0.004","7.211","0.002","90","","90","","90","","2266.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C88 H104 N24 O16 -","8","1","CV6152","Shang Shan; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang","Cyclopentanone 4-nitrophenylhydrazone","Acta Crystallographica Section E","2002","58","11","o1218","o1219","10.1107/S160053680201841X","","","0.71073","MoKα","","0.1762","0.0492","","","0.141","0.1972","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201475","13.8685","0.001","8.6075","0.001","25.233","0.002","90","","90","","90","","3012.1","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(2,4-Dibromophenylamino)-7-nitrobenzisoselenazol-3-one","","- C13 H7 Br2 N3 O3 Se -","- C13 H7 Br2 N3 O3 Se -","- C104 H56 Br16 N24 O24 Se8 -","8","1","DN6034","Dupont, Léon; Messali, Mouslim; Christiaens, Léon; Evrard, Guy","2-(2,4-Dibromophenylamino)-7-nitrobenzisoselenazol-3-one","Acta Crystallographica Section E","2002","58","8","o828","o830","10.1107/S1600536802011716","","","1.54178","CuKα","","0.0422","0.0329","","","0.081","0.085","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2201482","8.935","0.0004","10.277","0.0003","21.764","0.0003","90","0.003","90","0.002","90","0.002","1998.48","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Diglycinium sulfate","","","- C4 H12 N2 O8 S -","- C4 H12 N2 O8 S -","- C32 H96 N16 O64 S8 -","8","1","DN6041","Cherouana, Aouatef; Benali-Cherif, Nourredine; Bendjeddou, Lamia; Merazig, Hocine","Diglycinium sulfate","Acta Crystallographica Section E","2002","58","12","o1351","o1353","10.1107/S1600536802019785","","","0.71073","MoKα","","0.0368","0.0341","","","0.0975","0.0975","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201546","10.7617","0.0005","19.1957","0.0007","21.4568","0.0009","90","","90","","90","","4432.5","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Triphenyl(benzoylmethyl)phosphonium nitrate","Triphenyl(benzoylmethyl)phosphonium nitrate","","- C26 H22 N O4 P -","- C26 H22 N O4 P -","- C208 H176 N8 O32 P8 -","8","1","OB6140","Baby Mariyatra, Mahimaidoss; Panchanatheswaran, Krishnaswamy; Goeta, Andres E.","Triphenyl(benzoylmethyl)phosphonium nitrate: a three-dimensional hydrogen-bonded network","Acta Crystallographica Section E","2002","58","8","o807","o809","10.1107/S1600536802011431","","","0.71073","MoKα","","0.0471","0.0392","","","0.105","0.1138","","","","","","1.028","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201556","8.793","0.005","9.366","0.005","17.881","0.01","90","","90","","90","","1472.6","1.4","293","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Bis(2-benzimidazolyl)butane","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","0.5","OB6151","Chunlong, Chen; Chengyong, Su; Anwu, Xu; Huaxin, Zhang; Xiaolong, Feng; Beisheng, Kang","1,4-Bis(benzimidazol-2-yl)butane","Acta Crystallographica Section E","2002","58","8","o916","o917","10.1107/S1600536802012904","","","0.71073","MoKα","","","0.0394","","","","0.106","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201574","13.6479","0.0002","18.8071","0.0002","21.6016","0.0003","90","","90","","90","","5544.64","0.13","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,1,1-tris(2-hydroxybenzylideneaminomethyl)propane iron(III)","1,1,1-tris(2-hydroxybenzylideneaminomethyl)propane iron(III)","","- C28 H27 Cl3 Fe N3 O3 -","- C28 H27 Cl3 Fe N3 O3 -","- C224 H216 Cl24 Fe8 N24 O24 -","8","1","OB6169","Reglinski, John; Patykiewicz, Marta","1,1,1-Tris(2-hydroxybenzylideneamino)methylpropane iron(III) chloroform solvate","Acta Crystallographica Section E","2002","58","10","m543","m544","10.1107/S1600536802015921","","","0.71073","MoKα","","0.0608","0.0356","","","0.0792","0.0873","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201629","12.34","0.001","10.38","0.001","20.321","0.002","90","","90","","90","","2602.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4,7,11,14,17-Hexaazacycloicosane-9,19-diol hexahydrobromide","","- C14 H40 Br6 N6 O2 -","- C14 H40 Br6 N6 O2 -","- C56 H160 Br24 N24 O8 -","4","0.5","TK6064","Liang, Feng; Li, Yi-Zhi; Wu, Cheng-Tai; Liu, Si-Min","1,4,7,11,14,17-Hexaazacycloicosane-9,19-diol hexahydrobromide","Acta Crystallographica Section E","2002","58","8","m950","m952","10.1107/S1600536802012187","","","0.71073","MoKα","","0.056","0.039","","","0.086","0.088","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201644","18.271","0.006","16.941","0.005","20.221","0.006","90","","90","","90","","6259","3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(methyliminodiethanolato-κ^5^O:O,N,O':O')tetra-μ-n-propanolato-κ^8^O:O- octa-n-propanolato-κO-tetrazirconium","","- C23 H53 N O8 Zr2 -","- C45.996 H54 N2 O16 Zr4 -","- C183.984 H216 N8 O64 Zr16 -","4","0.5","TK6081","Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim","A centrosymmetric μ~2~-alkoxo-bridged zirconium tetrameric complex: [Zr~2~(μ~2~-<i>O</i>,μ~2~-<i>O</i>'-methyliminodiethanolate)(μ~2~-<i>O</i>-<i>n</i>-propanolate)~2~(<i>n</i>-propanolate)~4~]~2~","Acta Crystallographica Section E","2002","58","11","m619","m621","10.1107/S1600536802017981","","","0.71073","MoKα","","0.095","0.057","","","0.15","0.181","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201696","17.158","0.003","7.607","0.0012","18.823","0.003","90","","90","","90","","2456.8","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","WW6053","Chen, Xuanhua; Guo, Rongwei; Zhou, Zhongyuan","Ethyl (<i>E</i>)-2-acetyl-3-amino-3-phenyl-2-propylenoate","Acta Crystallographica Section E","2002","58","12","o1423","o1424","10.1107/S1600536802021517","","","0.71073","MoKα","","0.0974","0.0465","","","0.1026","0.1176","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201698","9.806","0.002","12.435","0.003","17.067","0.004","90","","90","","90","","2081.1","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C72 H120 N8 O24 -","8","1","WW6055","Chen, Xuanhua; Guo, Rongwei; Zhou, Zhongyuan","Methyl (<i>E</i>)-3-acetamido-4-methyl-2-pentenoate","Acta Crystallographica Section E","2002","58","12","o1425","o1426","10.1107/S1600536802021554","","","0.71073","MoKα","","0.1791","0.0635","","","0.1517","0.1981","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201724","9.059","0.0006","19.507","0.003","10.1015","0.0009","90","","90","","90","","1785.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-threoninium dihydrogen phosphate","DL-threoninium dihydrogen phosphate","","- C4 H12 N O7 P -","- C4 H12 N O7 P -","- C32 H96 N8 O56 P8 -","8","1","YA6135","Ravikumar, B.; Sridhar, B.; Rajaram, R. K.","<small>DL</small>-Threoninium dihydrogen phosphate","Acta Crystallographica Section E","2002","58","11","o1185","o1187","10.1107/S1600536802017762","","","0.71069","MoKα","","0.049","0.036","","","0.086","0.091","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201743","11.188","0.001","12.138","0.002","16.354","0.002","90","","90","","90","","2220.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","AC6032","Moreno-Fuquen, Rodolfo; Font i Carot, Mercé; Garriga, Miquel; Cano, Felix; Martinez-Ripoll, Martin; Valderrama-Naranjo, Jaime; Serratto, Luis Manuel","The 2:1 complex of 4-aminobenzoic acid and 4,4'-bipyridyl <i>N,N</i>'-dioxide","Acta Crystallographica Section E","2003","59","4","o495","o497","10.1107/S160053680300552X","","","0.71073","MoKα","","0.087","0.044","","","0.116","0.146","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201758","14.806","0.001","9.078","0.002","14.811","0.002","90","","90","","90","","1990.8","0.5","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H8 Mg Na O10 P3 -","- H8 Mg Na O10 P3 -","- H64 Mg8 Na8 O80 P24 -","8","1","","Ouarsal, Rachid; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Dusek, Michal; Karla, Fejfarova; El Bali, Brahim","Synthesis and crystal structure of sodium magnesium tris(dihydrogenophosphite) monohydrate, NaMg(H~2~PO~3~)~3~.H~2~O","Acta Crystallographica, Section E","2003","59","","i33","i35","10.1107/S1600536803002757","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2201763","8.3994","0.0013","8.8066","0.0006","14.137","0.0017","90","","90","","90","","1045.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Mercury(II) tetraborate","","","- B4 Hg O7 -","- B4 Hg O7 -","- B32 Hg8 O56 -","8","1","","Weil, Matthias","HgB~4~O~7~, a member of the isotypic M^II^B~4~O~7~ family (M^II^ = Mg, Mn, Zn, Cd)","Acta Crystallographica, Section E","2003","59","","i40","i42","10.1107/S1600536803003611","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2201854","10.0339","0.0009","12.5618","0.0012","30.22","0.003","90","","90","","90","","3809","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(2,6-Dichlorophenyl)-8-ethyl-4-phenyl-1-oxa-6-thia-2,8-diazaspiro[4.4]non- 2-ene-7,9-dione","","- C19 H14 Cl2 N2 O3 S -","- C19 H14 Cl2 N2 O3 S -","- C152 H112 Cl16 N16 O24 S8 -","8","1","CF6237","Li, Xiao-Fang; Feng, Ya-Qing; Gu, Yun-Feng","3-(2,6-Dichlorophenyl)-8-ethyl-4-phenyl-1-oxa-6-thia-2,8-diazaspiro[4.4]non-2-ene-7,9-dione","Acta Crystallographica Section E","2003","59","3","o330","o331","10.1107/S1600536803003003","","","0.71073","MoKα","","0.0971","0.052","","","","0.1104","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201861","11.8503","0.0005","7.853","0.0003","19.963","0.0009","90","","90","","90","","1857.76","0.13","100","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 F N2 O -","- C9 H11 F N2 O -","- C72 H88 F8 N16 O8 -","8","1","CF6244","Muir, Kenneth W.; Morris, David G.","<i>N,N</i>-Dimethyl-<i>N</i>'-(<i>o</i>-fluorobenzoyl)hydrazide","Acta Crystallographica Section E","2003","59","4","o490","o492","10.1107/S1600536803005634","","","0.71073","MoKα","","","0.0447","","","","0.116","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201883","9.0894","0.0018","25.813","0.003","15.1605","0.001","90","","90","","90","","3557","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","r-2,c-6-Di(p-tolyl)-t-3,t-5-dimethyltetrahydropyran-4-one","","- C21 H24 O2 -","- C21 H24 O2 -","- C168 H192 O16 -","8","1","CI6198","Krishnamoorthy, Belli Sundaram; Sarangarajan, Thanjavur Ramabhadran; Thanikasalam, Kanagasabapathy; Panchanatheswaran, Krishnaswamy; Jeyaraman, Ramasubbu","<i>r</i>-2,<i>c</i>-6-Bis(<i>p</i>-tolyl)-<i>t</i>-3,<i>t</i>-5-dimethyltetrahydropyran-4-one","Acta Crystallographica Section E","2003","59","4","o461","o462","10.1107/S1600536803005336","","","1.5418","CuKα","","0.1547","0.0744","","","0.1564","0.1976","","","","","","1.109","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201889","8.3865","0.0013","18.273","0.004","10.652","0.002","90","","90","","90","","1632.4","0.5","293","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","CI6204","A. Thiruvalluvar; S. Silvarani; A. Vadivelu; K. Sithik Ali; V. R. Venkataraman","2-Acetylbenzo[<i>b</i>]furan","Acta Crystallographica Section E","2003","59","4","o395","o396","10.1107/S1600536803004306","","","0.71073","MoKα","","","0.0356","","","","0.0922","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201890","15.013","0.001","9.123","0.0016","25.462","0.004","90","","90","","90","","3487.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","r-2,c-6-di(4-chlorophenyl)-t-3,t-5-dimethyltetrahydropyran-4-one","","- C19 H18 Cl2 O2 -","- C19 H18 Cl2 O2 -","- C152 H144 Cl16 O16 -","8","1","CI6205","Jose Kavitha, Savaridasson; Sarangarajan, Thanjavur Ramabhadran; Thanikasalam, Kanagasabapathy; Panchanatheswaran, Krishnaswamy; Jeyaraman, Ramasubbu","<i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyltetrahydropyran-4-one","Acta Crystallographica Section E","2003","59","4","o463","o465","10.1107/S1600536803005361","","","0.71069","MoKα","","0.0794","0.0513","","","0.1152","0.1399","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201896","11.0203","0.0007","8.0642","0.0005","31.1269","0.0018","90","","90","","90","","2766.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-phenyl-3-pyridinylacrylate","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","CI6214","Yun Li; Anwar Usman; Hoong-Kun Fun; Jian-Hua Xu","Ethyl 2-phenyl-3-(pyridin-2-yl)acrylate","Acta Crystallographica Section E","2003","59","5","o610","o611","10.1107/S1600536803007529","","","0.71073","MoKα","","0.0954","0.0691","","","0.1442","0.1574","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201903","10.4039","0.0007","11.0435","0.0008","17.7471","0.0012","90","","90","","90","","2039.1","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-hydroxyphenyl)-1,3-dithiane","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C80 H96 O8 S16 -","8","1","CI6223","Anwar Usman; Hoong-Kun Fun; Nemai C. Ganguly; Mrityunjoy Datta; Kumaresh Ghosh","2-(2-Hydroxyphenyl)-1,3-dithiane","Acta Crystallographica Section E","2003","59","6","o773","o775","10.1107/S1600536803009401","","","0.71073","MoKα","","0.0769","0.063","","","0.1308","0.1365","","","","","","1.236","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201917","11.4236","0.001","10.2623","0.0009","21.899","0.003","90","","90","","90","","2567.3","0.5","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl3 N O -","- C11 H14 Cl3 N O -","- C88 H112 Cl24 N8 O8 -","8","1","CM6041","Kaynak, F. Betül; Özbey, Süheyla; Şenöz, Hülya; Tunoḡlu, Nazan","2-Trichloroacetyl-1-(1-pyrrolidinyl)cyclopentene","Acta Crystallographica Section E","2003","59","6","o833","o835","10.1107/S1600536803010535","","","0.71073","MoKα","","","0.0402","","","","0.1239","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202021","13.3935","0.0007","13.4828","0.0008","15.2291","0.0008","90","","90","","90","","2750.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,4-dinitrophenyl p-toluenesulfonate","2,4-dinitrophenyl 4-toluenesulfonate","","- C13 H10 N2 O7 S -","- C13 H10 N2 O7 S -","- C104 H80 N16 O56 S8 -","8","1","LH6038","Nagarajan Vembu; Maruthai Nallu; Jered Garrison; Wiley J. Youngs","2,4-Dinitrophenyl 4-toluenesulfonate: molecular aggregation through weak C—H···O interactions","Acta Crystallographica Section E","2003","59","3","o378","o380","10.1107/S1600536803004197","","","0.71073","MoKα","","0.0337","0.0301","","","0.0847","0.0867","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202072","17.7766","0.0002","20.4108","0.0001","32.0452","0.0002","90","","90","","90","","11627.1","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(5,11,17,23-Tetra-t-butyl-26,28-dihydroxy-25,27-bis(ethoxycarbonylmethoxy)-pen tacyclo(19.3.1.1^3,7^.1^9,13^.1^15,19^)octacosa-1(25),3,5,7(28),9,11,13(27),15 ,17,19(26),21,23-dodecaene) clathrate chloroform solvate","","- C54 H70 Cl6 O8 -","- C54 H70 Cl6 O8 -","- C432 H560 Cl48 O64 -","8","1","NA6213","Bolte, Michael; Danila, Crenguta; Böhmer, Volker","Redetermination of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-di(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene chloroform disolvate at low temperature","Acta Crystallographica Section E","2003","59","4","o533","o534","10.1107/S1600536803006032","","","0.71073","MoKα","","0.1345","0.0945","","","0.2619","0.2973","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202110","10.87","0.002","18.932","0.002","22.135","0.003","90","","90","","90","","4555.2","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Benzoylmethyl)triphenylphosphonium iodide","","- C26 H22 I O P -","- C26 H22 I O P -","- C208 H176 I8 O8 P8 -","8","1","OB6212","Mahimaidoss Baby Mariyatra; Balasubramanian Kalyanasundari; Krishanaswamy Panchanatheswaran; Goeta, Andres E.","(Benzoylmethyl)triphenylphosphonium iodide: supramolecular zigzag chains <i>via</i> C—H···O hydrogen bonding stabilized by C—H···I interactions","Acta Crystallographica Section E","2003","59","2","o255","o257","10.1107/S1600536803002137","","","0.71073","MoKα","","0.033","0.0258","","","0.055","0.0573","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202123","14.7891","0.0011","10.8965","0.0008","15.4391","0.0011","90","","90","","90","","2488","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl (3SR,4RS)-3-benzyl-4-hydroxy-2-oxopyrrolidine-3-carboxylate","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","OB6226","Ahmad Sazali Hamzah; Zurina Shaameri; Izwan A. Adziz; Bohari M. Yamin","Methyl (3<i>SR</i>,4<i>RS</i>)-3-benzyl-4-hydroxy-2-oxopyrrolidine-3-carboxylate","Acta Crystallographica Section E","2003","59","5","o737","o738","10.1107/S1600536803009103","","","0.71073","MoKα","","0.0485","0.0426","","","0.1218","0.128","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202171","9.895","0.001","11.343","0.002","18.791","0.002","90","","90","","90","","2109.1","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","SU6020","Craig M. Williams; Lewis N. Mander; Paul V. Bernhardt","1-Ethynyl-2-isopropoxy-3-methoxybenzene","Acta Crystallographica Section E","2003","59","4","o561","o563","10.1107/S1600536803006585","","","0.71073","MoKα","","0.0635","0.0388","","","0.1005","0.1123","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202209","11.59","0.004","10.603","0.003","16.935","0.005","90","","90","","90","","2081.1","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Methyl-2-trichloroacetyl-4-nitropyrrole","1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole","","- C7 H5 Cl3 N2 O3 -","- C7 H5 Cl3 N2 O3 -","- C56 H40 Cl24 N16 O24 -","8","1","WN6144","Lu, Liping; Zhou Chengyong; Zhang, Guocai; Zhu, Miaoli; Yang, Pin","1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole","Acta Crystallographica Section E","2003","59","4","o478","o479","10.1107/S1600536803005555","","","0.71073","MoKα","","0.055","0.0465","","","0.1079","0.1124","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202210","11.5674","0.0015","10.1948","0.0019","21.433","0.003","90","","90","","90","","2527.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-phenyl-4a,5-dihydro-1,2,4-triazolo[3,4-b][1,3]benzothiazine","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C120 H88 N24 S8 -","8","1","WN6145","P. G. Aravindan; V. Rajakannan; M. Yogavel; D. Velmurugan; A. Senthilvelan; Il-Hawn Suh","3-Phenyl-4a,5-dihydro-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazine","Acta Crystallographica Section E","2003","59","5","o622","o624","10.1107/S1600536803007190","","","0.71073","MoKα","","0.0772","0.0438","","","0.1217","0.1462","","","","","","0.877","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202312","11.887","0.002","9.671","0.002","19.493","0.004","90","","90","","90","","2240.9","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cesium trichromate","","","- Cr3 Cs2 O10 -","- Cr3 Cs2 O10 -","- Cr24 Cs16 O80 -","8","1","","Kolitsch, Uwe","α-Cs~2~Cr~3~O~10~","Acta Crystallographica, Section E","2003","59","","i164","i166","10.1107/S1600536803026473","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2202332","7.3679","0.0014","22.28","0.004","27.448","0.004","90","","90","","90","","4505.8","1.3","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cis-bis(N,N-dimethyl-N'-2-chlorobenzoylthioureato)nickel(II)","","- C20 H20 Cl2 N4 Ni O2 S2 -","- C20 H20 Cl2 N4 Ni O2 S2 -","- C160 H160 Cl16 N32 Ni8 O16 S16 -","8","1","BT6300","Emen, Fatih Mehmet; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>cis</i>-Bis(<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-2-chlorobenzoylthioureato)nickel(II)","Acta Crystallographica Section E","2003","59","8","m582","m583","10.1107/S1600536803014934","","","0.71073","MoKα","","0.1339","0.0555","","","0.1218","0.1716","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202334","13.3792","0.0011","12.6369","0.0007","14.9381","0.0009","90","","90","","90","","2525.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-dimethylpiperazinium tetrathiotungstate(VI)","","- C6 H16 N2 S4 W -","- C6 H16 N2 S4 W -","- C48 H128 N16 S32 W8 -","8","1","BT6303","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","1,4-Dimethylpiperazinium tetrathiotungstate(VI)","Acta Crystallographica Section E","2003","59","8","m681","m683","10.1107/S1600536803016040","","","0.71073","MoKα","","0.0309","0.0246","","","0.0632","0.0668","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202373","9.2974","0.0005","15.2169","0.0008","16.1024","0.0008","90","","90","","90","","2278.1","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua-8-hydroxyquinolinyl-5-sulfonatozinc(II)","","- C9 H9 N O6 S Zn -","- C9 H9 N O6 S Zn -","- C72 H72 N8 O48 S8 Zn8 -","8","1","BT6343","Rao, Huo-Yu; Tao, Jun; Ng, Seik Weng","Polymeric diaqua-8-hydroxyquinolinyl-5-sulfonatozinc(II)","Acta Crystallographica Section E","2003","59","10","m859","m860","10.1107/S1600536803019433","","","0.71073","MoKα","","0.038","0.032","","","0.083","0.085","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202376","14.4717","0.0005","6.4247","0.0002","18.4846","0.0006","90","","90","","90","","1718.63","0.1","293","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cu N10 O10 -","- C10 H12 Cu N10 O10 -","- C40 H48 Cu4 N40 O40 -","4","0.5","","Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M.","Diaquabis(nitrato-κO)bis(4,7-dihydro-1,2,4-triazolo [1,5-a]pyrimidine-7-one-κN^3^)copper(II)","Acta Crystallographica, Section E: Structure Reports Online","2003","59","10d","m903","m905","10.1107/s1600536803019974","","","","","","","","","","","","","","","","","","","","","has coordinates","200778","2020-10-21","18:00:00",""
"2202410","10.2463","0.0004","16.1386","0.0009","24.5021","0.0013","90","","90","","90","","4051.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Pentacarbonyl[diphenyl(perfluorovinyl)phosphine]molybdenum(0)","","- C19 H10 F3 Mo O5 P -","- C19 H10 F3 Mo O5 P -","- C152 H80 F24 Mo8 O40 P8 -","8","1","BT6384","Peters, R. Gregory; Palcic, Jason D.; Baughman, Russell G.","Pentacarbonyl[diphenyl(perfluorovinyl)phosphine]molybdenum(0)","Acta Crystallographica Section E","2003","59","12","m1198","m1200","10.1107/S1600536803026333","","","0.71073","MoKα","","0.0542","0.0342","","0.0854","","0.0767","","","1.032","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202435","8.2512","0.0008","9.5494","0.0009","17.1248","0.0017","90","","90","","90","","1349.3","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bis(benzimidazol-2-ylmethyl)amine","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","0.5","CF6275","Tarazon Navarro, Ana; McKee, Vickie","Redetermination of bis(benzimidazol-2-ylmethyl)amine","Acta Crystallographica Section E","2003","59","8","o1199","o1201","10.1107/S1600536803016349","","","0.71073","MoKα","","0.0404","0.0343","","","0.0791","0.0837","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202455","9.5897","0.0006","27.024","0.002","14.3392","0.0014","90","","90","","90","","3716","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dicyano-1,2-bis(2-dimethylaminoethylsulfanyl)benzene","","- C16 H22 N4 S2 -","- C16 H22 N4 S2 -","- C128 H176 N32 S16 -","8","1","CF6299","Çoruh, Ufuk; Ustabaş, Reşat; Yılmaz, İsmail; Yavuz, Metin","4,5-Dicyano-1,2-bis(2-dimethylaminoethylsulfanyl)benzene","Acta Crystallographica Section E","2003","59","12","o1938","o1940","10.1107/S1600536803025376","","","0.71073","MoKα","","0.1499","0.0452","","","0.0781","0.0955","","","","","","0.716","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202475","9.5831","0.0002","15.606","0.0003","18.1212","0.0003","90","","90","","90","","2710.1","0.09","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H28 N4 O20 S4 U2 -","- C10 H28 N4 O20 S4 U2 -","- C40 H112 N16 O80 S16 U8 -","4","0.5","CI6242","Doran, Michael B.; Norquist, Alexander J.; O'Hare, Dermot","Poly[[1,4-bis-(3-aminopropyl)piperazinium] [[dioxouranium(VI)]-di-μ~2~,μ~3~-sulfato]]","Acta Crystallographica Section E","2003","59","9","m762","m764","10.1107/S160053680301715X","","","0.71073","MoKα","","","0.023","","","0.0528","0.0528","","","","","","0.8872","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202540","11.3774","0.0006","12.4823","0.0007","18.437","0.001","90","","90","","90","","2618.4","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Morpholinium dihydrogen citrate dihydrate","","- C10 H19 N O9 -","- C10 H19 N O9 -","- C80 H152 N8 O72 -","8","1","CM6050","Chen, Can-Yu; Wei, Zan-Bin; Zhou, Zhao-Hui; Ng, Seik Weng","Morpholinium dihydrogen citrate hydrate","Acta Crystallographica Section E","2003","59","7","o1030","o1032","10.1107/S1600536803013874","","","0.71073","MoKα","","0.061","0.055","","","0.139","0.143","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202553","16.621","0.005","9.004","0.005","31.494","0.005","90","0.005","90","0.005","90","0.005","4713","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-(N-Phenyl-2,2'-iminodiethanoxy)diphthalonitrile","","- C26 H19 N5 O2 -","- C26 H19 N5 O2 -","- C208 H152 N40 O16 -","8","1","CV6201","Ocak, Nazan; Aǧar, Ayşen; Akdemir, Nesuhi; Aǧar, Erbil; García-Granda, S.; Erdönmez, Ahmet","4,4'-(<i>N</i>-Phenyl-2,2'-iminodiethanoxy)diphthalonitrile","Acta Crystallographica Section E","2003","59","7","o1000","o1001","10.1107/S1600536803013400","","","1.5418","CuKα","","0.0969","0.0443","","","0.1044","0.1376","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202554","10.748","0.0002","8.328","0.0001","27.9084","0.0004","90","","90","","90","","2498.06","0.07","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Oxopyrrolidin-1-yl)carbonylmethyl]-2,3-dihydro-1H-isoindole-1,3-dione","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","CV6202","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-[(2-Oxopyrrolidin-1-yl)carbonylmethyl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione: an antiamnesic agent","Acta Crystallographica Section E","2003","59","7","o1012","o1013","10.1107/S1600536803013679","","","0.71073","MoKα","","0.0869","0.0465","","","0.1097","0.1285","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202592","12.882","0.0006","12.116","0.0005","30.7987","0.0013","90","","90","","90","","4807","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzoyl-5,8-dimethoxy-2-phenyl-5,8-dihydroindolizine","","- C30 H25 N O4 -","- C30 H25 N O4 -","- C240 H200 N8 O32 -","8","1","CV6243","Hoong-Kun Fun; Yun Li; Jian-Hua Xu; Xue-Mei Li; Shu-Sheng Zhang","1,3-Dibenzoyl-5,8-dimethoxy-2-phenyl-5,8-dihydroindolizine","Acta Crystallographica Section E","2003","59","12","o1901","o1902","10.1107/S1600536803023195","","","0.71073","MoKα","","0.0534","0.0441","","","0.1286","0.1431","","","","","","0.789","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202618","13.0331","0.0019","15.61","0.003","16.514","0.003","90","","90","","90","","3359.7","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine","","- C18 H21 N5 -","- C18 H21 N5 -","- C144 H168 N40 -","8","1","DN6096","Marie-Rose Spirlet; Amaury Graulich; Jean-Francois Liégeois","8-Methyl-6-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazepine","Acta Crystallographica Section E","2003","59","12","o1990","o1991","10.1107/S1600536803026448","","","0.71073","MoKα","","0.1365","0.0498","","","0.0839","0.1058","","","","","","0.919","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202677","12.958","0.003","24.556","0.005","25.753","0.006","90","","90","","90","","8195","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H44.5 N3 O2.75 -","- C47 H44.5 N3 O2.75 -","- C376 H356 N24 O22 -","8","1","LH6073","Li, Xiao-Fang; Feng, Ya-Qing; Hu,Xiao-Fen; Wang, Guan","1-Benzyl-5-(1-naphthylmethylene)piperidinespiro-3,3'-1'-methyl-4'-(1-naphthyl)pyrrolidinespiro-2',3''-indole-2'',4-dione‒diethyl ether (1/0.75)","Acta Crystallographica Section E","2003","59","7","o1025","o1027","10.1107/S1600536803013825","","","0.71073","MoKα","","0.1289","0.0618","","","","0.188","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2202711","13.2668","0.0006","9.184","0.0005","24.471","0.001","90","","90","","90","","2981.6","0.2","173.2","","173.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H24 Cl2 N2 O2 -","- C9 H24 Cl2 N2 O2 -","- C72 H192 Cl16 N16 O16 -","8","1","LH6115","Thomas Q. Hu; Brian O. Patrick; David A. Osmond; Brian R. James","4-Ammonio-1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium dichloride monohydrate","Acta Crystallographica Section E","2003","59","10","o1584","o1585","10.1107/S160053680302097X","","","0.7107","MoKα","","0.0546","0.033","","0.0812","","0.0812","","","1.104","","","1.104","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202729","13.1317","0.0009","15.709","0.001","28.594","0.002","90","","90","","90","","5898.5","0.7","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(η^8^-Cyclooctatetraenyl)(2,2'',4,4'',6,6''-hexamethyl-μ- terphenyl-κC^2'^)(tetrahydrofuran-κO)thulium(III)","","- C36 H41 O Tm -","- C36 H41 O Tm -","- C288 H328 O8 Tm8 -","8","1","LH6136","Rabe, Gerd W.; Zhang-Preße, Mei; Golen, James A.; Rheingold, Arnold L.","(η^8^-Cyclooctatetraene)(2,2'',4,4'',6,6''-hexamethyl-<i>m</i>-terphenyl-κ<i>C</i>^2'^)(tetrahydrofuran-κ<i>O</i>)thulium(III)","Acta Crystallographica Section E","2003","59","12","m1102","m1103","10.1107/S1600536803025005","","","0.71073","MoKα","","0.0468","0.0286","","","0.0641","0.072","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202730","24.959","0.002","11.951","0.001","9.192","0.002","90","","90","","90","","2741.8","0.7","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","catena-Poly[benzylmethylammonium [[diaquadichloromanganese(II)]-μ-chloro]]]","catena-Poly[benzylmethylammonium [[diaquadichloromanganese(II)]-μ-chloro]]]","","- C8 H16 Cl3 Mn N O2 -","- C8 H16 Cl3 Mn N O2 -","- C64 H128 Cl24 Mn8 N8 O16 -","8","1","LH6138","Maris, Thierry; Zouari, Ridha","<i>catena</i>-Poly[benzylmethylammonium [[diaquadichloromanganate(II)]-μ-chloro]]","Acta Crystallographica Section E","2003","59","12","m1201","m1203","10.1107/S160053680302659X","","","0.71069","MoKα","","0.0705","0.0473","","","0.1161","0.1269","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202750","12.6914","0.0002","11.7483","0.0002","17.4988","0.0002","90","","90","","90","","2609.11","0.07","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-butylimidazolium-3-(n-butanesulfonate)","","- C11 H20 N2 O3 S -","- C11 H20 N2 O3 S -","- C88 H160 N16 O24 S8 -","8","1","NA6254","Pringle, Jennifer M.; Forsyth, Craig. M.; Forsyth, Maria; MacFarlane, Douglas R.","The zwitterion 1-butylimidazolium-3-(<i>n</i>-butanesulfonate)","Acta Crystallographica Section E","2003","59","11","o1759","o1761","10.1107/S1600536803023043","","","0.71073","MoKα","","0.083","0.0528","","","0.1287","0.1453","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202756","9.817","0.002","11.043","0.003","15.819","0.004","90","","90","","90","","1714.9","0.7","120","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium nitrate","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C56 H80 N16 O24 -","8","1","NA6260","Rademeyer, Melanie","Benzylammonium nitrate","Acta Crystallographica Section E","2003","59","11","o1860","o1861","10.1107/S1600536803024243","","","0.71073","MoKα","","0.0876","0.0685","","","0.1604","0.1716","","","","","","1.293","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202836","10.482","0.003","11.026","0.003","13.146","0.004","90","","90","","90","","1519.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(N,N-dimethylethylenediamine)copper(II) oxalate dihydrate","","- C10 H28 Cu N4 O6 -","- C10 H28 Cu N4 O6 -","- C40 H112 Cu4 N16 O24 -","4","0.5","OM6144","Bian, He-Dong; Xu, Jing-Yuan; Gu, Wen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Bis(<i>N,N</i>'-dimethylethylenediamine)copper(II) oxalate dihydrate","Acta Crystallographica Section E","2003","59","7","m441","m442","10.1107/S1600536803011929","","","0.71073","MoKα","","0.0422","0.028","","","0.0677","0.0754","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202862","8.356","0.003","17.406","0.005","19.052","0.006","90","","90","","90","","2771","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Phenylbenzenepentanenitrile","","- C17 H17 N -","- C17 H17 N -","- C136 H136 N8 -","8","1","OM6172","Li, Jie; Li, Chun-Bao; Shao, Qi-Yun","2,5-Diphenylpentanenitrile","Acta Crystallographica Section E","2003","59","11","o1668","o1669","10.1107/S1600536803020178","","","0.71073","MoKα","","0.0982","0.0555","","","","0.1426","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202943","10.5125","0.0008","8.3836","0.0005","11.2817","0.0009","90","","90","","90","","994.29","0.12","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Br2 O4 -","- C8 H10 Br2 O4 -","- C32 H40 Br8 O16 -","4","0.5","WN6160","Echeverría, Gustavo A.; Goeta, Andrés; Barón, Máximo; Punte, Graciela","<i>trans</i>-1,4-Dibromocyclohexane-1,4-dicarboxylic acid","Acta Crystallographica Section E","2003","59","7","o959","o961","10.1107/S160053680301239X","","","0.71073","MoKα","","0.0363","0.0265","","","0.0709","0.0773","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203011","8.0088","0.0011","14.3163","0.0016","22.103","0.003","90","","90","","90","","2534.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","1","YA6162","Kazak, Canan; Göker, Hakan; Íde, Semra","2-Acetylphenyl 5-methylthiophene-2-carboxylate","Acta Crystallographica Section E","2003","59","9","o1362","o1363","10.1107/S160053680301167X","","","0.71073","MoKα","","0.16","0.043","","","0.085","0.112","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203026","6.8359","0.001","9.3875","0.0013","16.5518","0.0014","90","","90","","90","","1062.2","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Na2 O10 Zn -","- C6 H8 Na2 O10 Zn -","- C24 H32 Na8 O40 Zn4 -","4","0.5","YA6178","Dong-Dong Lin; Li Zhang; Duan-Jun Xu","Poly[disodium bis(μ-malonato)zincate(II) dihydrate]","Acta Crystallographica Section E","2003","59","11","m1010","m1012","10.1107/S1600536803022153","","","0.71073","MoKα","","0.026","0.023","","","0.055","0.056","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203094","10.3841","0.0013","10.0409","0.0013","21.911","0.003","90","","90","","90","","2284.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(2-pyridyl)benzo[1,2-d-4,5-d']diimidazole","","- C13 H9 N5 -","- C13 H9 N5 -","- C104 H72 N40 -","8","1","OB6328","Lin, Xiao-Ju; Li, Yi-Zhi; Xu, Hai-Jun; Liu, Sheng-Gui; Xu, Li; Shen, Zhen; You, Xiao-Zeng","2-(2-Pyridyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole","Acta Crystallographica Section E","2004","60","1","o77","o78","10.1107/S1600536803028113","","","0.71073","MoKα","","0.1052","0.0615","","","0.1313","0.1461","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203136","10.8756","0.0004","8.939","0.0003","31.227","0.001","90","","90","","90","","3035.79","0.18","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(2R*,5S*)-Bicyclic chloromethyl phosphonamide","(1R*,3aS*)-1-(chloromethyl)-1λ^5^-phospha-2,6a-diazaperhydropentalene 1-oxide dihydrate","","- C12 H20 Cl N2 O3 P -","- C12 H20 Cl N2 O3 P -","- C96 H160 Cl8 N16 O24 P8 -","8","1","AC6070","Chen, Dimei; Zhong, Ping; Ding, Jinchang; Yuan, Chengye","(1<i>RS</i>,3a<i>SR</i>)-1-(chloromethyl)-1λ^5^-phospha-2,6a-diazaperhydropentalene 1-oxide dihydrate","Acta Crystallographica Section E","2004","60","2","o237","o238","10.1107/S1600536803025546","","","0.71073","MoKα","","0.053","0.0438","","","0.1215","0.1283","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203174","8.5131","0.0006","31.862","0.002","12.1757","0.0006","90","","90","","90","","3302.6","0.4","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C144 H128 N48 O16 -","8","1","CV6257","Dilovan S. Cati; Helen Stoeckli-Evans","An orthorhombic polymorph of <i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide","Acta Crystallographica Section E","2004","60","2","o210","o212","10.1107/S160053680400008X","","","0.71073","MoKα","","0.0437","0.0315","","","0.0744","0.0785","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203213","10.5582","0.0005","19.5961","0.0008","24.003","0.0011","90","","90","","90","","4966.2","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Triphenylphenacylphosphonium hydrogenmaleate","Benzoylmethyltriphenylphosphonium hydrogenmaleate","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C240 H200 O40 P8 -","8","1","OB6335","Mahimaidoss Baby Mariyatra; Elinor C. Spencer; Krishanaswamy Panchanatheswaran; Judith A.K. Howard","Benzoylmethyltriphenylphosphonium hydrogen maleate: supramolecular layer formation due to C—H···O interactions","Acta Crystallographica Section E","2004","60","2","o162","o164","10.1107/S1600536803029404","","","0.71073","MoKα","","0.0622","0.0407","","","0.0936","0.1061","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203224","16.866","0.003","12.704","0.005","10.41","0.002","90","","90","","90","","2230.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-chlorobenzylidene)-amino]-phenol","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","RN6011","Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan; Kahveci, Nermin","4-[(4-Chlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2004","60","2","o252","o253","10.1107/S1600536804001138","","","0.71069","MoKα","","0.0888","0.0629","","","0.1556","0.193","","","","","","1.107","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203229","7.723","0.007","14.255","0.001","22.53","0.002","90","","90","","90","","2480","2","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3H)-one","","- C14 H7 Cl F N O3 -","- C14 H7 Cl F N O3 -","- C112 H56 Cl8 F8 N8 O24 -","8","1","SU6070","Abdullah Aydın; Tijen Önkol; Mehmet Akkurt; Orhan Büyükgüngör; Serdar Ünlü","5-Chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","2","o244","o245","10.1107/S1600536804001011","","","0.71073","MoKα","","0.0637","0.0317","","","0.0683","0.0727","","","","","","0.858","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203232","13.113","0.003","9.999","0.003","18.474","0.003","90","","90","","90","","2422.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethoxyphenylthiocarbamate","O-(3,5-dimethoxyphenyl)-N,N-dimethylthiocarbamate","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C88 H120 N8 O24 S8 -","8","1","TK6147","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","<i>O</i>-(3,5-Dimethoxyphenyl) <i>N,N</i>-dimethylthiocarbamate","Acta Crystallographica Section E","2004","60","2","o199","o200","10.1107/S1600536804000467","","","0.71073","MoKα","","0.118","0.034","","","0.078","0.097","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203308","5.6755","0.0001","25.5102","0.0005","26.5536","0.0005","90","","90","","90","","3844.51","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1H-pyrazole","","- C24 H21 Br N2 -","- C24 H21 Br N2 -","- C192 H168 Br8 N16 -","8","1","LH6163","Low, John N.; Cobo, Justo; Arroyabe, Frank; Torres, Harlen; Abonia, Rodrigo; Glidewell, Christopher","5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2004","60","3","o324","o326","10.1107/S1600536804001874","","","0.71073","MoKα","","0.0531","0.0326","","","0.0717","0.0783","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203339","16.3204","0.0012","17.8489","0.0013","18.6636","0.0014","90","","90","","90","","5436.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","99348z","","","- C19 H41 Cl N4 O6 Zn2 -","- C19 H41 Cl N4 O6 Zn2 -","- C152 H328 Cl8 N32 O48 Zn16 -","8","1","OM6209","McCowan, C. Shawn; Carrie E. Buss; Victor G. Young Jr; McDonnell, Ryan J.; Caudle, M. Tyler","Chloro(diethylamino)tris(μ-diethylcarbamato)dizinc(II): an example of the generality of the threefold paddlewheel structure in carbamatozinc chemistry","Acta Crystallographica Section E","2004","60","3","m285","m287","10.1107/S1600536804002193","","","0.71073","MoKα","","0.0362","0.0232","","","0.0526","0.0564","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203358","15.423","0.002","19.0022","0.0009","7.6423","0.0007","90","","90","","90","","2239.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H8 Mo4 N2 O13 -","- Mo4 N2 O13 -","- Mo32 N16 O104 -","8","1","WM6011","Alexander Briceño; Reinaldo Atencio","[(NH~4~)~2~(Mo~4~O~13~)]~<i>n~</i>: a novel two-dimensional polyoxomolybdate(VI) framework","Acta Crystallographica Section E","2004","60","3","i47","i49","10.1107/S160053680400385X","","","0.71073","MoKα","","0.0397","0.0374","","","0.1025","0.1042","","","","","","1.242","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203407","11.6618","0.0009","8.8584","0.0007","19.163","0.002","90","","90","","90","","1979.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","anti-1-(Benzylamino)glyoxime","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C72 H88 N24 O16 -","8","1","CV6275","Yavuz Köysal; Şamil Işık; Nursabah Sarıkavaklı; Fatih Erduran","<i>anti</i>-1-(Benzylamino)glyoxime","Acta Crystallographica Section E","2004","60","4","o515","o516","10.1107/S1600536804004799","","","0.71073","MoKα","","0.0733","0.0341","","","0.0776","0.0853","","","","","","0.799","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203412","9.552","0.003","8.028","0.002","22.715","0.007","90","","90","","90","","1741.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-chlorophenyl acrylamide","N-(4-chlorophenyl)-acrylamide","","- C9 H8 Cl N O -","- C9 H8 Cl N O -","- C72 H64 Cl8 N8 O8 -","8","1","CV6280","Huo, Fang-Jun; Wu, Wei-Wei; Yin, Cai-Xia; Guo, Wei; Xia, Chi-Zhong; Yang, Pin","<i>N</i>-(4-Chlorophenyl)acrylamide","Acta Crystallographica Section E","2004","60","4","o629","o630","10.1107/S1600536804006233","","","0.71073","MoKα","","0.0561","0.0467","","","0.1183","0.1259","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203431","8.699","0.002","12.983","0.002","16.712","0.002","90","","90","","90","","1887.4","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-phenyl-2-furamide","N-phenylfuran-2-carboxamide","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","1","FL6090","Pavlović, Gordana; Tralić-Kulenović, Vesna; Popović, Zora","2-Furancarboxanilide","Acta Crystallographica Section E","2004","60","4","o631","o633","10.1107/S1600536804006245","","","0.71073","MoKα","","0.058","0.0504","","","0.1232","0.1295","","","","","","1.189","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203475","12.0008","0.0011","27.4501","0.0016","12.068","0.003","90","","90","","90","","3975.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,6-dichlorobenzylamino)-3-phenyl-5-p-tolyl-4H-1,2,4-triazole","","- C22 H18 Cl2 N4 -","- C22 H18 Cl2 N4 -","- C176 H144 Cl16 N32 -","8","1","NA6306","Dinçer, Muharrem; Özdemir, Namık; Bekircan, Olcay; Şaşmaz, Selami; Kolaylı, Sevgi; Karaoğlu, Şengül Alpay; Işık, Şamil","4-(2,6-Dichlorobenzylamino)-3-phenyl-5-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","4","o651","o653","10.1107/S1600536804006452","","","0.71073","MoKα","","0.1642","0.0517","","","0.0844","0.0937","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203486","17.4705","0.0006","11.5964","0.0004","18.6412","0.0007","90","","90","","90","","3776.6","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Triisopropylphenyl isopropyl sulfone","","- C18 H30 O2 S -","- C18 H30 O2 S -","- C144 H240 O16 S8 -","8","1","OM6220","Sandrock, Paul B.; Meyers, Cal Y.; Rath, Nigam P.; Robinson, Paul D.","Isopropyl 2,4,6-triisopropylphenyl sulfone: an aryl sulfone with unusual atom deviations from the aromatic least-squares plane","Acta Crystallographica Section E","2004","60","4","o544","o546","10.1107/S1600536804004635","","","0.71073","MoKα","","0.065","0.047","","","0.125","0.134","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203576","11.0826","0.0003","12.1879","0.0003","20.7505","0.0005","90","","90","","90","","2802.85","0.12","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Ni O6 S2 -","- C9 H12 N4 Ni O6 S2 -","- C72 H96 N32 Ni8 O48 S16 -","8","1","CV6294","Jia-Geng Liu; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(malonato)nickel(II)","Acta Crystallographica Section E","2004","60","5","m541","m543","10.1107/S1600536804008013","","","0.71073","MoKα","","0.027","0.024","","","0.058","0.059","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203595","20.027","0.001","18.774","0.001","29.771","0.002","90","","90","","90","","11193.5","1.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato- tetracobalt(II) diiodide diacetonitrile monohydrate","","- C48 H44 Co4 F6 I2 N10 O9 -","- C48 H44 Co4 F6 I2 N10 O9 -","- C384 H352 Co32 F48 I16 N80 O72 -","8","1","FL6099","Zhao, Hanhua; Bacsa, John; Kim R. Dunbar","Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato-tetracobalt(II) diiodide diacetonitrile monohydrate: a compound containing a tetranuclear `cubane'-type cobalt(II) core","Acta Crystallographica Section E","2004","60","5","m637","m640","10.1107/S1600536804008979","","","0.71073","MoKα","","0.0914","0.0582","","","0.1246","0.1388","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203729","9.255","0.004","10.161","0.004","16.188","0.005","90","","90","","90","","1522.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Anilinium nitrate","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","CI6376","Rademeyer, Melanie","Anilinium nitrate","Acta Crystallographica Section E","2004","60","6","o958","o960","10.1107/S1600536804010827","","","0.71073","MoKα","","0.1342","0.055","","","0.1319","0.1716","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203772","13.001","0.003","23.211","0.003","27.01","0.008","90","","90","","90","","8151","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Dibenzylacetone-κO)(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)","","- C47 H36 O7 U -","- C47 H36 O7 U -","- C376 H288 O56 U8 -","8","1","HG6047","M. Alagar; S. Kannan; K. Rajagopal; V. Venugopal; R. V. Krishnakumar; M. Subha Nandhini; S. Natarajan","(Dibenzylacetone-κ<i>O</i>)(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O,O</i>')dioxouranium(VI)","Acta Crystallographica Section E","2004","60","6","m773","m775","10.1107/S1600536804011122","","","0.71073","MoKα","","0.203","0.0701","","","0.144","0.267","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203778","10.099","0.005","16.315","0.007","18.593","0.008","90","","90","","90","","3063","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C128 H112 N48 O16 -","16","2","LH6207","Ling Xu; Guo-Cong Guo; Bing Liu; Ming-Lai Fu; Jin-Shun Huang","3-(1<i>H</i>-1,2,4-Triazol-4-yl)phenol","Acta Crystallographica Section E","2004","60","6","o1060","o1062","10.1107/S1600536804012152","","","0.71073","MoKα","","0.0594","0.0546","","","0.1167","0.119","","","","","","1.271","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203799","8.877","0.001","18.508","0.003","22.098","0.003","90","","90","","90","","3630.6","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","OB6367","Hui Wu; Jun Zhou; Huizhen Yu; Leilei Lu; Zhou Xu; Yu Wan; Daqing Shi","Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate","Acta Crystallographica Section E","2004","60","6","m822","m824","10.1107/S1600536804011602","","","0.71073","MoKα","","0.051","0.0311","","","0.0653","0.0692","","","","","","0.892","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203847","16.6884","0.0007","10.9585","0.0005","22.0082","0.0009","90","","90","","90","","4024.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] N,N-dimethylformamide solvate]","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C168 H152 Cu8 N24 O40 -","8","1","BR6151","Xin-Hua, Li; Hong-Ping, Xiao","<i>catena</i>-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] <i>N</i>,<i>N</i>-dimethylformamide solvate]","Acta Crystallographica Section E","2004","60","7","m898","m900","10.1107/S1600536804012784","","","0.71073","MoKα","","0.06","0.0516","","","0.1276","0.1332","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203873","13.369","0.005","15.31","0.005","14.69","0.005","90","","90","","90","","3006.7","1.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CI6392","Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione","Acta Crystallographica Section E","2004","60","7","o1266","o1268","10.1107/S1600536804014989","","","0.71073","MoKα","","0.1576","0.0481","","","0.0685","0.089","","","","","","0.857","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203874","11.3829","0.0009","11.5359","0.0012","13.0358","0.001","90","","90","","90","","1711.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cu N4 O6 -","- C12 H28 Cu N4 O6 -","- C48 H112 Cu4 N16 O24 -","4","0.5","CI6393","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; Ölmez, Halis; Büyükgüngör, Orhan","Diaquabis(<i>N,N</i>-dimethylethylenediamine-κ^2^<i>N,N</i>')copper(II) squarate","Acta Crystallographica Section E","2004","60","7","m1025","m1027","10.1107/S1600536804015338","","","0.71073","MoKα","","0.0578","0.031","","","0.0782","0.0834","","","","","","0.867","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203911","18.1209","0.0013","19.8137","0.0014","25.2396","0.0017","90","","90","","90","","9062.1","1.1","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,11-bis(formyl)-25,26,27,28-tetra-benzoxycalix[4]arene","5,11-bis(formyl)-25,26,27,28-tetra-benzoxycalix[4]arene","","- C58 H48 O6 -","- C58 H48 O6 -","- C464 H384 O48 -","8","1","LH6225","Andreas Decken; Pierre D. Harvey; Jasmin Douville","5,17-Diformyl-25,26,27,28-tetrabenzyloxycalix[4]arene: functionalization of the upper rim of a calix[4]arene","Acta Crystallographica Section E","2004","60","7","o1170","o1171","10.1107/S1600536804013595","","","0.71073","MoKα","","0.1479","0.0527","","","0.1401","0.1603","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203933","12.472","0.007","17.6737","0.0013","17.0718","0.0012","90","","90","","90","","3763","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Ethyl-5-(4-methoxybenzoyl-4-(4-methoxyphenyl)pyrimidine-2(1H)-thione","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C168 H160 N16 O24 S8 -","8","1","OB6369","Özçelik, Suzan; Dinçer, Muharrem; Yıldırım, İsmail; Akçamur Yunus","1-Ethyl-5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)pyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","7","o1123","o1125","10.1107/S1600536804012413","","","0.71073","MoKα","","0.0971","0.0479","","","0.0881","0.0972","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203953","12.7397","0.0008","15.6191","0.001","25.0173","0.0015","90","","90","","90","","4978","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]","","- C25 H25 Cl2 Cu N3 O4 -","- C25 H25 Cl2 Cu N3 O4 -","- C200 H200 Cl16 Cu8 N24 O32 -","8","1","TK6171","David J. Bray; Li-Ling Liao; Leonard F. Lindoy; John C. McMurtrie; Gang Wei","<i>catena</i>-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]","Acta Crystallographica Section E","2004","60","7","m918","m920","10.1107/S1600536804013315","","","0.71073","MoKα","","0.038","0.028","","","0.07","0.075","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203957","12.921","0.002","11.882","0.002","13.264","0.002","90","","90","","90","","2036.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichloro-N,N,N'-rimethylethylenediaminozinc","","- C5 H14 Cl2 N2 Zn -","- C5 H14 Cl2 N2 Zn -","- C40 H112 Cl16 N16 Zn8 -","8","1","WK6018","Johansson, Anna; Hakansson, Mikael","Dichloro(<i>N,N,N</i>'-trimethylethylenediamine)zinc(II)","Acta Crystallographica Section E","2004","60","7","m955","m957","10.1107/S160053680401390X","","","0.71073","MoKα","","0.05","0.04","","","0.093","0.098","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203964","9.794","0.005","7.388","0.003","26.946","0.012","90","","90","","90","","1949.8","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","trans-2-(2-Phenylethenyl)pyrazine","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","1","WN6258","Shi, Xue-Fang; Liu, Hui-Min; Zhang, Wen-Qin","<i>trans</i>-2-(2-Phenylethenyl)pyrazine","Acta Crystallographica Section E","2004","60","7","o1255","o1256","10.1107/S1600536804015107","","","0.71073","MoKα","","0.0751","0.0451","","","0.0905","0.1026","","","","","","1.092","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204014","18.5029","0.0011","10.6914","0.0007","21.3741","0.0013","90","","90","","90","","4228.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-Bis(p-methylphenyl)-2,2'-(m-phenylenedioxy)diacetamide","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","1","CV6345","Shu-Sheng Zhang; Yong-Hong Wen; Juan Liang; Xue-Mei Li","N,N'-Bis(p-methylphenyl)-2,2'-(m-phenylenedioxy)diacetamide","Acta Crystallographica, Section E","2004","60","8","o1388","o1389","10.1107/S1600536804017751","","","0.71073","MoKα","","0.122","0.085","","","0.2272","0.257","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204023","13.9369","0.0014","19.0631","0.0017","23.503","0.002","90","","90","","90","","6244.3","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate","","- C13 H9 Cl4 O3 P -","- C13 H9 Cl4 O3 P -","- C208 H144 Cl64 O48 P16 -","16","2","FL6107","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Wang, Ching T.; Moseley, Charles G.","2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate","Acta Crystallographica Section E","2004","60","8","o1312","o1313","10.1107/S1600536804016290","","","0.71073","MoKα","","0.0325","0.0241","","","0.0604","0.0646","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204073","8.3813","0.0013","9.6623","0.0016","27.056","0.004","90","","90","","90","","2191.1","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","OB6390","Fei Gao; Caixia Yin; Pin Yang; Gang Xue","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","Acta Crystallographica, Section E","2004","60","8","o1327","o1328","10.1107/S1600536804016587","","","0.71073","MoKα","","0.0449","0.0406","","","0.1113","0.1146","","","","","","1.064","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204074","15.559","0.003","11.1768","0.0019","23.057","0.004","90","","90","","90","","4009.6","1.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3,7-trimethyl-9-(5,5-dimethyl-3-hydroxy-2-cyclohexene- 1-one-2-yl)-1-oxo-1,2,3,4,9,10-hexahydroxanthene","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","OB6392","Yu-Ling Li; Xiang-Shan Wang; Da-Qing Shi; Shu-Jiang Tu; Yong Zhang","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,7-trimethyl-1,2,3,4-hexahydro-9<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2004","60","8","o1439","o1441","10.1107/S1600536804018276","","","0.7107","MoKα","","0.0971","0.084","","","0.1611","0.1668","","","","","","1.258","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204089","12.178","0.002","14.414","0.003","23.357","0.005","90","","90","","90","","4099.9","1.4","100","2","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F3 N3 O6 Re S -","- C19 H13 F3 N3 O6 Re S -","- C152 H104 F24 N24 O48 Re8 S8 -","8","1","TK6168","Kayode Oshin; Arthur M. Landis; Bradley W. Smucker; David M. Eichhorn; D. Paul Rillema","<i>fac</i>-Bipyridyltricarbonyl(pyridine)rhenium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2004","60","8","m1126","m1127","10.1107/S1600536804015016","","","0.71073","MoKα","","","0.033","","","","0.074","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204156","10.0406","0.0015","13.42","0.002","15.04","0.002","90","","90","","90","","2026.6","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6-Styryl-pyran-2-one","Dehydrogoniothalamin","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","CV6351","Din, Laily B.; Abdullah, Aryanti; Tan, S. L.; Said, Ikram M.; Yamin, Bohari M.","Dehydrogoniothalamin","Acta Crystallographica Section E","2004","60","9","o1515","o1517","10.1107/S1600536804019087","","","0.71073","MoKα","","0.057","0.044","","","0.113","0.126","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204270","16.603","0.003","16.565","0.003","17.483","0.004","90","","90","","90","","4808.3","1.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,4-Dibenzoyl-2,5-dimethylpyrrole-N-(4-methoxy)benzamide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","BT6513","Gao, Shan; Huo, Li- Hua; Zhao, Hui; Ng, Seik Weng","<i>N</i>-(3,4-Dibenzoyl-2,5-dimethylpyrrol-1-yl)-4-methoxybenzamide","Acta Crystallographica Section E","2004","60","10","o1733","o1735","10.1107/S1600536804021956","","","0.71073","MoKα","","0.1217","0.0618","","","0.1362","0.1667","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204329","13.248","0.003","8.5327","0.0017","19.858","0.004","90","","90","","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(μ-acetato-κ~2~O:O')bis[(3-hydroxypyridine-κN)copper]","","- C18 H22 Cu2 N2 O10 -","- C18 H22 Cu2 N2 O10 -","- C72 H88 Cu8 N8 O40 -","4","0.5","DN6158","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui","Tetr-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-hydroxypyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2004","60","10","m1405","m1407","10.1107/S1600536804021993","","","0.71073","MoKα","","0.0694","0.0431","","","0.0871","0.0952","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204378","15.5021","0.0019","6.6902","0.0008","22.676","0.003","90","","90","","90","","2351.8","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7a,8,9,10-Tetrahydrobenzo[f]cyclopenta[b]chromen-10-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","RN6023","Huo, Fangjun; Yin, Caixia; Yang, Pin","7a,8,9,10-Tetrahydrobenzo[<i>f</i>]cyclopenta[<i>b</i>]chromen-10-one","Acta Crystallographica Section E","2004","60","10","o1671","o1673","10.1107/S1600536804021403","","","0.71073","MoKα","","0.0466","0.0369","","","0.0918","0.0983","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204390","20.694","0.007","12.031","0.004","23.694","0.008","90","","90","","90","","5899","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 N2 -","- C37 H38 N2 -","- C296 H304 N16 -","8","1","SU6137","Liu, Qing-Xiang; Song, Hai-Bin","Bis[<i>N</i>-(9-anthrylmethyl)propylamino]methane","Acta Crystallographica Section E","2004","60","10","o1762","o1763","10.1107/S1600536804022172","","","0.71073","MoKα","","0.2116","0.0612","","","0.1328","0.1984","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204403","8.2319","0.0005","22.757","0.0015","14.6764","0.0008","90","","90","","90","","2749.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","WN6271","Erdem, Talip Kaya; Atalay,Şehriman; Akdemir, Nesuhi; Aǧar, Erbil; Kantar, Cihan","4-(2-Methoxy-4-methylphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","10","o1849","o1850","10.1107/S160053680401894X","","","0.71073","MoKα","","0.0641","0.0432","","","0.1077","0.1172","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204410","8.534","0.004","16.122","0.006","22.481","0.009","90","","90","","90","","3093","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,5-dimethyl)phenyl-5-(4-ethyl)phenyl-1,3,4-oxadiazole","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C144 H144 N16 O8 -","8","1","WN6279","Chun-Hui Mao; Qing-Min Wang; Run-Qiu Huang; Li Chen; Jian Shang; Hai-Bin Song","2-(3,5-Dimethylphenyl)-5-(4-ethylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2004","60","10","o1823","o1825","10.1107/S1600536804022020","","","0.71073","MoKα","","0.126","0.0591","","","0.1225","0.148","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204438","11.12","0.002","10.529","0.002","16.253","0.003","90","","90","","90","","1902.9","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-aminonaphthalene-2-sulfonic acid","5-ammonio-2-naphthalenesulfonate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","1","BT6536","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","Zwitterionic 5-amino-2-naphthalenesulfonic acid","Acta Crystallographica Section E","2004","60","11","o2014","o2016","10.1107/S1600536804025206","","","1.5418","CuKα","","0.0417","0.0392","","","0.1026","0.1046","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204484","10.776","0.002","13.283","0.003","20.89","0.004","90","","90","","90","","2990.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-5-carboxyimidazole- 4-carboxylato-κ^4^N^3^,O^4^:N^1^,O^5^]","","- C15 H10 Cd N4 O4 -","- C15 H10 Cd N4 O4 -","- C120 H80 Cd8 N32 O32 -","8","1","CV6398","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^1^,<i>O</i>^5^]","Acta Crystallographica Section E","2004","60","11","m1728","m1730","10.1107/S1600536804026844","","","0.71073","MoKα","","0.0211","0.0189","","","0.0533","0.0543","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204533","11.0105","0.0007","13.6596","0.001","26.8832","0.0018","90","","90","","90","","4043.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dibenzophospholanic acid anhydride","bis(5-hydroxy-5-oxodibenzo-5H-phosphole) anhydride or 9,9'-oxydi(9-phosphafluoren-9-one)","","- C24 H16 O3 P2 -","- C24 H16 O3 P2 -","- C192 H128 O24 P16 -","8","1","LH6282","Andreas Decken; Erin D. Gill; Frank Bottomley","Dibenzophospholanic acid anhydride","Acta Crystallographica Section E","2004","60","11","o1935","o1936","10.1107/S1600536804024390","","","0.71073","MoKα","","0.0922","0.0505","","","0.1295","0.1424","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204570","16.8495","0.0009","12.1086","0.0009","12.357","0.0007","90","","90","","90","","2521.1","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans,trans,trans-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4- tetrahydronaphthalene","","- C10 H8 Br4 O2 -","- C10 H8 Br4 O2 -","- C80 H64 Br32 O16 -","8","1","SJ6017","Mehmet Akkurt; Ísmail Çelik; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı; Orhan Büyükgüngör","<i>trans,trans,trans</i>-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2004","60","11","o2096","o2098","10.1107/S1600536804026042","","","0.71073","MoKα","","0.0724","0.0416","","","0.0732","0.0818","","","","","","1.016","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204575","15.7845","0.0016","10.09","0.0013","18.629","0.003","90","","90","","90","","2967","0.7","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Se-Phenyl 3-(1H-indol-3-yl)selenoacrylate","","- C17 H13 N O Se -","- C17 H13 N O Se -","- C136 H104 N8 O8 Se8 -","8","1","TK6191","Meza, Rosa-Luisa; Quintero, Leticia; Bernès, Sylvain","<i>Se</i>-Phenyl 3-(1<i>H</i>-indol-3-yl)selenoacrylate","Acta Crystallographica Section E","2004","60","11","o1961","o1963","10.1107/S1600536804024687","","","0.71073","MoKα","","0.121","0.045","","","0.086","0.108","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204584","10.904","0.004","8.67","0.003","35.271","0.013","90","","90","","90","","3334","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Fluoro-N-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)- 2H-1,4-benzoxazin-6-yl]benzamide","","- C19 H14 F2 N2 O3 -","- C19 H14 F2 N2 O3 -","- C152 H112 F16 N16 O24 -","8","1","WN6284","Hou, Zhong-Ke; Ao, Cong-Cong; Song, Jian; Chen, Li-Gong","2-Fluoro-<i>N</i>-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzoxazin-6-yl]benzamide","Acta Crystallographica Section E","2004","60","11","o1957","o1958","10.1107/S1600536804024304","","","0.71073","MoKα","","0.0907","0.0543","","","","0.1371","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204593","18.1752","0.0001","13.6193","0.0009","18.487","0.0001","90","","90","","90","","4576.2","0.3","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1'-Methyl-4'-phenyl-9H-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indol-2''(3''H)-one","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C240 H192 N16 O8 -","8","1","WN6298","P.G.Aravindan; S.Selvanayagam; D.Velmurugan; K.Ravikumar; J. Jayashankaran; R.Raghunathan","1'-Methyl-4'-phenyl-<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indol-2''(3''<i>H</i>)-one","Acta Crystallographica Section E","2004","60","11","o2152","o2154","10.1107/S1600536804026911","","","0.71073","MoKα","","0.1226","0.0805","","","0.1596","0.1786","","","","","","1.124","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204641","8.0201","0.0009","12.098","0.0013","22.173","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","CI6480","Huo, Fangjun; Yin, Caixia; Yang, Pin","7-Methoxy-2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]chromen-1-one","Acta Crystallographica Section E","2004","60","12","o2278","o2280","10.1107/S1600536804028478","","","0.71073","MoKα","","0.0693","0.0576","","","0.1344","0.1434","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204651","11.0108","0.0006","7.8652","0.0004","27.999","0.001","90","","90","","90","","2424.8","0.2","105","2","105","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","CV6401","Arrieta, Antonio F.; Mostad, Arvid","5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2004","60","12","o2444","o2446","10.1107/S1600536804030193","","","0.71073","MoKα","","0.0678","0.0302","","","0.0586","0.0615","","","","","","0.742","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204699","11.53","0.002","17.118","0.002","15.285","0.002","90","","90","","90","","3016.8","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","t-Butyl diphenylphosphinate","","- C16 H19 O2 P -","- C16 H19 O2 P -","- C128 H152 O16 P8 -","8","1","HG6097","I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard","<i>tert</i>-Butyl diphenylphosphinate","Acta Crystallographica Section E","2004","60","12","o2384","o2385","10.1107/S1600536804029435","","","0.71073","MoKα","","0.2419","0.0393","","","0.0872","0.142","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204721","10.0472","0.0004","11.309","0.0005","14.9321","0.0005","90","","90","","90","","1696.64","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[[diaquacobalt(II)]-μ-tartarato-κ^4^O,O':O'',O'''] monohydrate]","","- C4 H10 Co O9 -","- C4 H10 Co O9 -","- C32 H80 Co8 O72 -","8","1","IS6017","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","<i>catena</i>-Poly[[[diaquacobalt(II)]-μ-tartrato-κ^4^<i>O,O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","Acta Crystallographica Section E","2004","60","12","m1982","m1984","10.1107/S1600536804030806","","","0.71073","MoKα","","0.035","0.03","","","0.072","0.074","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204737","18.8439","0.0013","16.3922","0.0009","10.8561","0.0007","90","","90","","90","","3353.4","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N,N-Tris(3-methylphenyl)amine","","- C21 H21 N -","- C21 H21 N -","- C168 H168 N8 -","8","1","LH6300","Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.","<i>N,N,N</i>-Tris(3-methylphenyl)amine","Acta Crystallographica Section E","2004","60","12","o2301","o2303","10.1107/S1600536804028247","","","0.71073","MoKα","","0.1799","0.0655","","","0.162","0.2203","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204822","10.553","0.012","8.948","0.01","30.84","0.03","90","","90","","90","","2912","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Chloro-10-(dimethoxymethyl)anthracene","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C136 H120 Cl8 O16 -","8","1","WN6305","Wen-Bing Yuan; Lan Yan; Ru-Dong Yang","9-Chloro-10-(dimethoxymethyl)anthracene","Acta Crystallographica Section E","2004","60","12","o2447","o2448","10.1107/S1600536804030028","","","0.71073","MoKα","","0.1627","0.0713","","","0.1891","0.255","","","","","","0.952","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204859","14.271","0.0006","14.9228","0.0006","29.8597","0.0012","90","","90","","90","","6359","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4,10,16,21-Pentaaza-7,13,24-triazoniabicyclo[8.8.8]hexacosane monohydrate clathrate trichloride hexahydrate","","- C18 H59 Cl3 N8 O7 -","- C18 H59 Cl3 N8 O7 -","- C144 H472 Cl24 N64 O56 -","8","1","CI6496","Farrell, David; McKee, Vickie; Nelson, Jane","1,4,10,16,21-Pentaaza-7,13,24-triazoniabicyclo[8.8.8]hexacosane monohydrate clathrate trichloride hexahydrate","Acta Crystallographica Section E","2005","61","1","o81","o83","10.1107/S1600536804032088","","","0.71073","MoKα","","0.0554","0.0376","","","0.0897","0.1023","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204860","12.872","0.002","9.282","0.003","24.761","0.007","90","","90","","90","","2958.4","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","CI6497","S. M. Malathy Sony; P. Charles; M. N. Ponnuswamy; H. S. Yathirajan","Valdecoxib, a non-steroidal anti-inflammatory drug","Acta Crystallographica Section E","2005","61","1","o108","o110","10.1107/S1600536804032118","","","0.71073","MoKα","","0.1534","0.0554","","","0.1378","0.1788","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204890","14.3214","0.0014","24.855","0.002","29.709","0.003","90","","90","","90","","10575.2","1.7","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickel(II) methanol hexasolvate dihydrate","","- C106 H112 K2 N16 Ni7 O20 -","- C106 H112 K2 N16 Ni7 O20 -","- C424 H448 K8 N64 Ni28 O80 -","4","0.5","HB6126","Skovgaard, Signe; Bond, Andrew D.; McKenzie, Christine J.","Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate","Acta Crystallographica Section E","2005","61","1","m135","m137","10.1107/S160053680403154X","","","0.7107","MoKα","","0.1476","0.0547","","","0.1138","0.1451","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204895","23.5075","0.0013","13.9199","0.001","11.531","0.008","90","","90","","90","","3773","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,6-Dichlorobenzylamino)-3,5-diphenyl-4H-1,2,4-triazole","","- C21 H16 Cl2 N4 -","- C21 H16 Cl2 N4 -","- C168 H128 Cl16 N32 -","8","1","HG6107","Atalay, Şehriman; Yavuz, Metin; Bekircan, Olcay; Alpay Karaoǧlu, Şengül; Şahinbaş, Esra; Şaşmaz, Selami","4-(2,6-Dichlorobenzylamino)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","1","o90","o92","10.1107/S1600536804032179","","","0.71073","MoKα","","0.0912","0.0356","","","0.0688","0.0791","","","","","","0.752","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204899","10.0407","0.0016","17.007","0.003","30.197","0.005","90","","90","","90","","5156.5","1.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,6-Trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione","","- C13 H16 N2 S -","- C13 H16 N2 S -","- C208 H256 N32 S16 -","16","2","IS6010","Yamin, Bohari M.; Kasim, Noor Azilah M.; Hamzah, Noraini","4,4,6-Trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","1","o55","o57","10.1107/S1600536804031320","","","0.71073","MoKα","","0.0641","0.0581","","","0.1598","0.1638","","","","","","1.131","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204960","14.1068","0.0009","9.5526","0.0006","21.1298","0.0013","90","","90","","90","","2847.4","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C136 H128 Cl8 N8 O8 -","8","1","RZ6035","Ravikumar, K.; Sridhar, B.; Mahesh, M.; Narayana Reddy, V. V.","A diastereoisomer of furo[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2005","61","1","o195","o197","10.1107/S1600536804033550","","","0.71073","MoKα","","0.0629","0.0564","","","0.1456","0.1503","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204964","10.4","0.007","9.117","0.006","32.09","0.02","90","","90","","90","","3043","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","isoprothiolane","diisopropyl (1,3-dithiolan-2-ylidene)malonate","","- C12 H18 O4 S2 -","- C12 H18 O4 S2 -","- C96 H144 O32 S16 -","8","1","SJ6026","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","Diisopropyl (1,3-dithiolan-2-ylidene)malonate","Acta Crystallographica Section E","2005","61","1","o3","o5","10.1107/S1600536804030934","","","0.71073","MoKα","","0.1248","0.09","","","0.1882","0.2052","","","","","","1.224","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205034","15.113","0.002","15.692","0.002","16.806","0.002","90","","90","","90","","3985.6","0.9","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)potassium chlorochromate","","- C12 H24 Cl Cr K O9 -","- C12 H24 Cl Cr K O9 -","- C96 H192 Cl8 Cr8 K8 O72 -","8","1","CV6410","Kotlyar, Sergei A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(18-Crown-6)potassium chlorochromate","Acta Crystallographica Section E","2005","61","2","m293","m295","10.1107/S1600536805000085","","","0.71073","MoKα","","","0.0816","","","","0.2526","","","","","","0.909","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205049","16.6509","0.0003","9.7336","0.0002","8.9989","0.0003","90","","90","","90","","1458.48","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","creatininium nitrate","","","- C4 H8 N4 O4 -","- C4 H8 N4 O4 -","- C32 H64 N32 O32 -","8","1","DN6185","Fadila, Berrah; Hanane, Lamraoui; Nourredine, Benali-Cherif","Hydrogen bonding in creatininium nitrate","Acta Crystallographica Section E","2005","61","2","o210","o212","10.1107/S1600536804032349","","","0.71073","MoKα","","0.0641","0.04","","","0.1001","0.1098","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205085","24.002","0.004","10.9833","0.0017","24.364","0.003","90","","90","","90","","6422.9","1.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil citrate monohydrate","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)- 4-ethoxyphenyl]sulfonyl}-4-methylpiperazinium citrate monohydrate","","- C28 H40 N6 O12 S -","- C28 H40 N6 O12 S -","- C224 H320 N48 O96 S8 -","8","1","HG6131","Yathirajan, Hemmige S.; Basavegowda, Nagaraj; Nagaraja, Padmarajaiah; Bolte, Michael","Sildenafil citrate monohydrate","Acta Crystallographica Section E","2005","61","2","o489","o491","10.1107/S1600536805002564","","","0.71073","MoKα","","0.1743","0.0785","","","0.1364","0.1543","","","","","","0.782","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205092","9.5485","0.0016","8.2197","0.0013","25.94","0.004","90","","90","","90","","2035.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Acetyl-3'-chloroacetanilide","N-(3-chlorophenyl)-3-oxobutanamide","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C80 H80 Cl8 N8 O16 -","8","1","IS6034","Tai, Xi-Shi; Liu, Wan-Yi; Liu, Yan-Zhen; Li, Yi-Zhi","2-Acetyl-3'-chloroacetanilide","Acta Crystallographica Section E","2005","61","2","o389","o390","10.1107/S1600536805001145","","","0.71073","MoKα","","0.0844","0.0413","","","0.0678","0.0748","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205114","9.695","0.002","17.266","0.004","23.543","0.004","90","","90","","90","","3941","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","β-Methyl-γ-bis(N,O-8-quinolinoxy)germa-γ-lactone","","- C22 H18 Ge N2 O4 -","- C22 H18 Ge N2 O4 -","- C176 H144 Ge8 N16 O32 -","8","1","LH6346","Mahboob, Sumera; Parvez, Masood; Mazhar, Muhammad; Ali, Saqib","β-Methyl-γ,γ-bis(8-quinolinoxy)germa-γ-lactone","Acta Crystallographica Section E","2005","61","2","m358","m360","10.1107/S1600536805001455","","","0.71073","MoKα","","0.066","0.04","","","0.093","0.107","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205135","7.4853","0.0017","13.449","0.003","22.653","0.005","90","","90","","90","","2280.5","0.9","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(1SR,8RS,10RS)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene","","- C11 H9 Br3 -","- C11 H9 Br3 -","- C88 H72 Br24 -","8","1","OB6464","Ersanlı, Cem Cüneyt; Çoruh, Ufuk; Tuncer, Hökelek; Vázquez-López, Ezequiel M.; Arif, Daştan","(±)-(1<i>SR</i>,8<i>RS</i>,10<i>RS</i>)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene","Acta Crystallographica Section E","2005","61","2","o263","o265","10.1107/S1600536805000255","","","0.71073","MoKα","","0.0863","0.0326","","","0.059","0.0662","","","","","","0.817","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205138","14.996","0.001","13.597","0.001","25.156","0.002","90","","90","","90","","5129.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]copper(II)","","- C26 H30 Br2 Cu N2 O2 -","- C26 H30 Br2 Cu N2 O2 -","- C208 H240 Br16 Cu8 N16 O16 -","8","1","OB6467","Yang, De-Suo","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]copper(II)","Acta Crystallographica Section E","2005","61","2","m249","m250","10.1107/S1600536805000280","","","0.71073","MoKα","","0.0705","0.0431","","","0.1043","0.1169","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205155","6.824","0.003","11.887","0.006","25.224","0.01","90","","90","","90","","2046.1","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C64 H80 N32 O40 -","8","1","SU6151","Moghimi, Abolghasem; Aghabozorg, Hossein; Soleimannejad, Janet; Ramezanipour, Farshid","Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate","Acta Crystallographica Section E","2005","61","2","o442","o444","10.1107/S1600536805001121","","","0.71073","MoKα","","0.0814","0.0562","","","0.1247","0.1333","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205161","7.576","0.001","13.3","0.002","30.306","0.002","90","","90","","90","","3053.7","0.6","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)","","- C15 H17 N5 Ni O -","- C15 H17 N5 Ni O -","- C120 H136 N40 Ni8 O8 -","8","1","SU6160","Sun, Yu-Xi; Gao, Gen-Zhi; Zhang, Rui; Pei, Hong-Xia","Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)","Acta Crystallographica Section E","2005","61","2","m397","m398","10.1107/S1600536805001881","","","0.71073","MoKα","","0.0534","0.0433","","","0.1134","0.1208","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205180","9.5294","0.0009","8.4805","0.0008","33.362","0.003","90","","90","","90","","2696.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Oxo-2-phenylethyl morpholine-4-carbodithioate","","- C13 H15 N O2 S2 -","- C13 H15 N O2 S2 -","- C104 H120 N8 O16 S16 -","8","1","WN6317","Liang-Zhong Xu; Kai Li; Guan-Ping Yu; Guo-Dong Si; Cheng-Long Yu","2-Oxo-2-phenylethyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2005","61","2","o215","o216","10.1107/S1600536804033999","","","0.71073","MoKα","","0.0525","0.0268","","","0.0645","0.0957","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205183","13.4346","0.0008","11.4998","0.0007","16.6055","0.001","90","","90","","90","","2565.5","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-ene-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","WN6322","Sathiya Moorthi, S.; Chinnakali, K.; Nanjundan, S.; Radhika, R.; Fun, Hoong-Kun; Yu, Xiao-Lan","1-(4-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","2","o480","o482","10.1107/S1600536805001698","","","0.71073","MoKα","","0.0516","0.044","","","0.1193","0.126","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205193","19.4776","0.0016","14.0453","0.0011","21.1035","0.0017","90","","90","","90","","5773.3","0.8","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(butane-1,4-diammonium) bis(hydrogenphosphato)pentamolybdate monohydrate,","","- C8 H32 Mo5 N4 O24 P2 -","- C8 H32 Mo5 N4 O24 P2 -","- C64 H256 Mo40 N32 O192 P16 -","8","1","AC6148","Shailesh Upreti; A. Ramanan","Butane-1,4-diammonium diphosphopentamolybdate: a new inorganic‒organic hybrid solid","Acta Crystallographica Section E","2005","61","3","m414","m416","10.1107/S1600536805001856","","","0.71073","MoKα","","0.0273","0.0269","","","0.0747","0.0751","","","","","","1.283","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205228","15.532","0.004","11.119","0.003","23.247","0.005","90","","90","","90","","4014.8","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-tert-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C168 H280 N8 O16 -","8","1","CF6403","Batsanov, Andrei S.; Reid, Alistair J.; Cameron, Neil","2-<i>tert</i>-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane","Acta Crystallographica Section E","2005","61","3","o716","o717","10.1107/S1600536805004976","","","0.71073","MoKα","","0.0451","0.0389","","","0.1064","0.1144","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205289","10.0156","0.0002","12.0767","0.0002","20.6483","0.0005","90","","90","","90","","2497.52","0.09","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-dinitrobenzoic acid DMSO solvate","3,5-dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","","- C9 H10 N2 O7 S -","- C9 H10 N2 O7 S -","- C72 H80 N16 O56 S8 -","8","1","JH6000","Abthorpe, M.; Trask, A. V.; Jones, W.","3,5-Dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section E","2005","61","3","o609","o611","10.1107/S1600536805003818","","","0.71073","MoKα","","0.0666","0.0454","","","0.1201","0.134","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205345","17.16","0.009","11.68","0.006","18.274","0.01","90","","90","","90","","3663","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-methyl-1-phenylsulfonyl-1H-indole","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C176 H152 N8 O16 S8 -","8","1","RZ6040","S. M. Malathy Sony; K. Palani; P. Charles; M. N. Ponnuswamy; N. Sureshbabu; P. C. Srinivasan; M. Nethaji","3-Benzyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","3","o521","o523","10.1107/S1600536805002825","","","0.71073","MoKα","","0.0542","0.0448","","","0.1332","0.1426","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205419","10.603","0.0006","9.778","0.0006","25.203","0.002","90","","90","","90","","2612.9","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxysalicylaldehyde benzoylhydrazone","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","BT6624","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","3-Hydroxysalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","4","o1013","o1014","10.1107/S1600536805007555","","","0.71073","MoKα","","0.0825","0.04","","","0.1021","0.1243","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205422","6.7936","0.0009","16.988","0.002","21.515","0.003","90","","90","","90","","2483","0.6","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(5,6-Dihydroxy-2-methyl-1-benzofuran-3-yl) phenyl ketone","","- C16 H12 O4 -","- C16 H12 O4 -","- C128 H96 O32 -","8","1","BT6628","Pei, Li-Xi; Bu, Xian-Zhang; Gu, Lian-Quan; Ng, Seik Weng","(5,6-Dihydroxy-2-methyl-1-benzofuran-3-yl) phenyl ketone","Acta Crystallographica Section E","2005","61","4","o1081","o1082","10.1107/S1600536805008408","","","0.71073","MoKα","","0.049","0.037","","","0.103","0.114","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205505","11.366","0.0007","21.4096","0.0012","12.9034","0.0011","90","","90","","90","","3139.9","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6- methylimidazo[2,1-b][1,3]thiazole-5-carboxamide monohydrate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","HG6147","Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Orhan Büyükgüngör","<i>N</i>-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6-methylimidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate","Acta Crystallographica Section E","2005","61","4","o892","o894","10.1107/S1600536805006525","","","0.71073","MoKα","","0.086","0.0549","","","0.166","0.1783","","","","","","1.075","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205531","12.485","0.004","13.666","0.004","25.801","0.008","90","","90","","90","","4402","2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-Diphenyl-5,5'-[o-phenylenebis(methylenethio)]di-1H-tetrazole","","- C22 H18 N8 S2 -","- C22 H18 N8 S2 -","- C176 H144 N64 S16 -","8","1","KP6048","Luo, Xiao-Lan; Wang, Wei; Ma, Guo-Chun; Zhang, Wen-Qin","1,1'-Diphenyl-5,5'-[<i>o</i>-phenylenebis(methylenethio)]di-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2005","61","4","o1161","o1162","10.1107/S1600536805009219","","","0.71073","MoKα","","0.0949","0.0513","","","0.111","0.1375","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205540","7.3437","0.0004","17.944","0.001","21.34","0.001","90","","90","","90","","2812.1","0.3","295","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-Bromo-1H-indole-3-carbaldehyde 2-thienoylhydrazone","","- C14 H10 Br N3 O S -","- C14 H10 Br N3 O S -","- C112 H80 Br8 N24 O8 S8 -","8","1","LH6375","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Lajis, Nordin Hj.; Basirun, Wan Jefri; Zain, Sharifuddin M.; Ng, Seik Weng","5-Bromo-1<i>H</i>-indole-3-carbaldehyde 2-thienoylhydrazone","Acta Crystallographica Section E","2005","61","4","o914","o915","10.1107/S1600536805006616","","","0.71073","MoKα","","0.082","0.053","","","0.131","0.151","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205554","20.203","0.005","17.021","0.006","9.643","0.003","90","","90","","90","","3316","1.8","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Succinimido 4-(N-maleimidomethyl)cyclohexanecarboxylate","2,5-dioxo-3-pyrrolidin-1-yl 4-[(2,5-dioxo-3-pyrrolin-1-yl)methyl]cyclohexanecarboxylate","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","1","LH6393","Christopher L. Brown; Sarah J. Atkinson; Peter C. Healy","Succinimido 4-(<i>N</i>-maleimidomethyl)cyclohexanecarboxylate","Acta Crystallographica Section E","2005","61","4","o1203","o1204","10.1107/S1600536805009074","","","0.7107","MoKα","","0.1201","0.0425","","","0.1063","0.132","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205571","10.044","0.002","7.2816","0.0015","25.006","0.005","90","","90","","90","","1828.8","0.6","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cu2Br4(mu-O-Py-NO2)2","Bis(μ-4-nitropyridine N-oxide-κ^2^O:O)bis[bromocopper(II)]","","- C10 H8 Br4 Cu2 N4 O6 -","- C10 H8 Br4 Cu2 N4 O6 -","- C40 H32 Br16 Cu8 N16 O24 -","4","0.5","OM6228","Twamley, Brendan","Bis(μ-4-nitropyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromocopper(II)]","Acta Crystallographica Section E","2005","61","4","m619","m621","10.1107/S1600536805005441","","","0.71073","MoKα","","0.0542","0.0443","","","0.1074","0.1142","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205690","17.3586","0.0019","9.8854","0.0011","26.324","0.003","90","","90","","90","","4517.1","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^N,N'-[aqua(2-sulfonatobenzoato- κ^2^O,O')copper(II)]] N,N-dimethylformamide]","","- C22 H23 Cu N3 O7 S -","- C22 H23 Cu N3 O7 S -","- C176 H184 Cu8 N24 O56 S8 -","8","1","CV6491","Hong-Ping Xiao; Qian Shi; Ya-Qian Cheng","<i>catena</i>-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>,<i>N</i>'-[aqua(2-sulfonatobenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)]] <i>N</i>,<i>N</i>-dimethylformamide]<i></i>","Acta Crystallographica Section E","2005","61","5","m907","m909","10.1107/S1600536805011475","","","0.71073","MoKα","","0.1033","0.0936","","","0.1658","0.1698","","","","","","1.417","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205698","10.4874","0.001","12.1216","0.0014","16.3091","0.0016","90","","90","","90","","2073.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(2-furyl)-3-phenyl-2-propen-1-one","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","DN6214","Ocak Ískeleli, Nazan; Işık, Şamil; Özdemir, Zuhal; Bilgin, Altan","1-(2-Furyl)-3-phenyl-2-propen-1-one","Acta Crystallographica Section E","2005","61","5","o1278","o1279","10.1107/S1600536805010615","","","0.71073","MoKα","","0.108","0.0402","","","0.0658","0.0793","","","","","","0.843","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205775","11.8053","0.001","15.6404","0.0015","22.432","0.002","90","","90","","90","","4141.8","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-Amino-3,3,6,6-tetramethyl-9-(4-bromophenyl)-3,4,5,6,9,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C184 H216 Br8 N16 O16 -","8","1","OB6497","Shu-Jiang Tu; Jin-Peng Zhang; Xiao-Tong Zhu; Jia-Ning Xu; Qian Wang","10-Amino-9-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","5","o1491","o1493","10.1107/S160053680501202X","","","0.7107","MoKα","","0.0473","0.0423","","","0.0993","0.1018","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205816","9.807","0.007","9.193","0.006","26.607","0.017","90","","90","","90","","2399","3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chloro-4,4'-dimethoxybiphenyl","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C112 H104 Cl8 O16 -","8","1","TK6213","Ting-Feng, Tan; Jian-Xin, Zhang; Ji-Ben, Meng","An asymmetric biphenyl compound: 3-chloro-4,4'-dimethoxybiphenyl","Acta Crystallographica Section E","2005","61","5","o1210","o1211","10.1107/S1600536805009323","","","0.71073","MoKα","","0.114","0.063","","","0.109","0.131","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205832","7.133","0.003","22.536","0.008","7.056","0.003","90","","90","","90","","1134.2","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Cu N10 O2 -","- C4 H16 Cu N10 O2 -","- C16 H64 Cu4 N40 O8 -","4","0.5","WN6348","Su, Ying-Lan; Lu, Li-Ping; Li, Xue-Mei; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2005","61","5","m910","m912","10.1107/S160053680501127X","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.096","","","","","","1.195","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205839","9.8745","0.0007","17.3467","0.0011","21.7544","0.0014","90","","90","","90","","3726.3","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(1,10-phenanthroline)(μ~4~-4-sulfonatobenzoato)lead(II) hydrate]","","- C19 H14 N2 O6 Pb S -","- C19 H12 N2 O6 Pb S -","- C152 H96 N16 O48 Pb8 S8 -","8","1","XU6002","Zhang, Li-Ping; Zhu, Long-Guan; Xiao, Hong-Ping","Poly[(1,10-phenanthroline-κ^2^<i>N,N</i>')lead(II) μ~4~-(4-sulfonatobenzoato-κ^4^<i>O,O</i>':O'',<i>O</i>''' hydrate]","Acta Crystallographica Section E","2005","61","5","m860","m862","10.1107/S1600536805010925","","","0.71073","MoKα","","0.047","0.032","","","0.066","0.071","","","","","","1.012","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205856","16.823","0.004","7.179","0.002","19.847","0.005","90","","90","","90","","2397","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Allyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","BH6001","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Kolesnik, Elena V.","1-Allyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2005","61","6","o1833","o1835","10.1107/S1600536805015175","","","0.71073","MoKα","","0.1559","0.0471","","","0.1099","0.1322","","","","","","0.846","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205895","14.979","0.003","13.609","0.003","25.164","0.005","90","","90","","90","","5129.7","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(5-bromo-N-cyclohexylsalicylideneaminato)nickel(II)","","- C26 H30 Br2 N2 Ni O2 -","- C26 H30 Br2 N2 Ni O2 -","- C208 H240 Br16 N16 Ni8 O16 -","8","1","CI6575","Sun, Yu-Xi; Yang, Guang; Chen, Guang; Sun, Min; Zhang, Hong-Lin","Bis(5-bromo-<i>N</i>-cyclohexylsalicylideneaminato)nickel(II): an orthorhombic polymorph","Acta Crystallographica Section E","2005","61","6","m1103","m1104","10.1107/S1600536805014339","","","0.71073","MoKα","","0.0977","0.0488","","","0.1155","0.138","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205898","8.5129","0.0013","30.047","0.004","11.1308","0.0018","90","","90","","90","","2847.1","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","CI6579","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim","2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol","Acta Crystallographica Section E","2005","61","6","o1712","o1714","10.1107/S1600536805014418","","","0.71073","MoKα","","0.1699","0.0494","","","0.0707","0.0965","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205902","7.806","0.002","9.901","0.003","29.307","0.008","90","","90","","90","","2265.1","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Nitrophenyl)-1H-benzimidazole","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C104 H72 N24 O16 -","8","1","CI6588","Xue-Mei Li; Li-Ping Du; Ying Li; Shu-Sheng Zhang","2-(2-Nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","6","o1902","o1903","10.1107/S1600536805016417","","","0.71073","MoKα","","0.0567","0.0438","","","0.1047","0.1129","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205910","10.8458","0.0006","17.0539","0.0009","25.9179","0.0013","90","","90","","90","","4793.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]- μ-cyano-[dicyanoplatinum(II)]-μ-cyano]","","- C16 H28 Ba N4 O8 Pt -","- C16 H28 Ba N4 O8 Pt -","- C128 H224 Ba8 N32 O64 Pt8 -","8","1","CV6494","Olmstead, Marilyn M.; Lee, Moses A.; Stork, Jay R.","<i>catena</i>-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]-μ-cyano-[dicyanoplatinum(II)]-μ-cyano]","Acta Crystallographica Section E","2005","61","6","m1048","m1050","10.1107/S1600536805013887","","","0.71073","MoKα","","0.0291","0.018","","","0.0356","0.0394","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206001","28.83","0.005","10.896","0.002","8.879","0.002","90","","90","","90","","2789.2","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Nafazatrom","3-methyl-1-[2-(2-naphthyloxy)ethyl]-1H-pyrazol-5-ol","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","LH6412","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","The enol form of nafazatrom","Acta Crystallographica Section E","2005","61","6","o1544","o1545","10.1107/S1600536805012766","","","1.54178","CuKα","","0.1502","0.0469","","","0.1135","0.1759","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206018","14.6729","0.0005","17.8962","0.0006","16.2619","0.0003","90","","90","","90","","4270.2","0.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-di-2-thienylpentane-1,5-dione","","- C23 H19 Cl N2 O2 S2 -","- C23 H19 Cl N2 O2 S2 -","- C184 H152 Cl8 N16 O16 S16 -","8","1","LH6436","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-di-2-thienylpentane-1,5-dione: centrosymmetric dimers formed by C—H···π(thiophene) hydrogen bonds","Acta Crystallographica Section E","2005","61","6","o1892","o1894","10.1107/S1600536805015886","","","0.71073","MoKα","","0.0886","0.0456","","","0.1006","0.1172","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206047","11.3184","0.001","7.6823","0.0007","16.8656","0.0012","90","","90","","90","","1466.5","0.2","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-aminophenylacetic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","RZ6070","Sandra Gracin; Michael Svärd; Andreas Fischer","4-Aminophenylacetic acid","Acta Crystallographica Section E","2005","61","6","o1536","o1537","10.1107/S1600536805012754","","","0.71073","MoKα","","0.0865","0.0589","","","0.1147","0.1332","","","","","","1.159","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206058","12.726","0.004","11.629","0.004","13.705","0.005","90","","90","","90","","2028.2","1.2","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-bromo-5-methylthiophen-2-yl)pyridine","","- C10 H8 Br N S -","- C10 H8 Br N S -","- C80 H64 Br8 N8 S8 -","8","1","SJ6067","Xu, Fengying; Chen, Zihui; Zhang, Fushi; Wang, Ru-Ji; Zhao, Fuqun","4-(4-Bromo-5-methylthiophen-2-yl)pyridine","Acta Crystallographica Section E","2005","61","6","o1672","o1673","10.1107/S160053680501425X","","","0.71073","MoKα","","0.0976","0.0486","","","0.0831","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206081","7.9131","0.0005","13.572","0.0008","25.0065","0.0014","90","","90","","90","","2685.6","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]copper(II)]- μ-chloro]","","- C13 H10 Br Cl Cu N2 O -","- C13 H10 Br Cl Cu N2 O -","- C104 H80 Br8 Cl8 Cu8 N16 O8 -","8","1","SU6197","Sun, Yu-Xi; Gao, Yi-Zhen; Zhang, Hong-Lin; Kong, De-Sheng; Yu, You","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]copper(II)]-μ-chloro]","Acta Crystallographica Section E","2005","61","6","m1055","m1057","10.1107/S1600536805013401","","","0.71073","MoKα","","0.0696","0.0372","","","0.0784","0.0847","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206098","11.857","0.002","7.1867","0.0014","32.253","0.007","90","","90","","90","","2748.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Methoxystyryl)-2H-1,4-benzoxazin-2-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C136 H104 N8 O24 -","8","1","WN6351","Yan-Chao Wu; Hai-Bin Song; Li Liu; Dong Wang; Yong-Jun Chen","3-(4-Methoxystyryl)-2<i>H</i>-1,4-benzoxazin-2-one","Acta Crystallographica Section E","2005","61","6","o1590","o1591","10.1107/S1600536805013772","","","0.71073","MoKα","","0.1039","0.0483","","","0.126","0.1401","","","","","","0.83","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206099","7.2873","0.0015","18.657","0.004","30.047","0.006","90","","90","","90","","4085.2","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-bis(1-phenyl-1H-tetrazole-5-ylsulfanyl) ether","","- C18 H18 N8 O S2 -","- C18 H18 N8 O S2 -","- C144 H144 N64 O8 S16 -","8","1","WN6352","Wei Wang; Bing Zhao; Wen-Qin Zhang","2,2'-Bis(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl) ether","Acta Crystallographica Section E","2005","61","6","o1639","o1640","10.1107/S1600536805013784","","","0.71073","MoKα","","0.1139","0.0585","","","0.0973","0.1187","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206166","11.5192","0.0018","7.3222","0.0011","20.048","0.003","90","","90","","90","","1691","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-N-Methyl-1H-1,2,4-triazole-4-amino-5-mercapto-1,2,4-triazole","","- C5 H7 N7 S -","- C5 H7 N7 S -","- C40 H56 N56 S8 -","8","1","CV6521","Xu, Liang-Zhong; Yu, Guan-Ping; Xu, Feng-Ling; Li, Wei-Hua","4-Amino-3-(1,2,4-triazol-1-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","7","o2061","o2062","10.1107/S1600536805017587","","","0.71073","MoKα","","0.0478","0.0312","","","0.074","0.0832","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206218","17.534","0.001","15.616","0.001","21.394","0.002","90","","90","","90","","5857.9","0.7","153.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 Fe O2 P2 -","- C30 H30 F6 Fe O2 P2 -","- C240 H240 F48 Fe8 O16 P16 -","8","1","IS6084","Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe","Dicarbonyl(η^5^-pentamethylcyclopentadienyl)(triphenylphosphine)iron(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","7","m1275","m1276","10.1107/S1600536805017344","","","0.7107","MoKα","","","0.0632","","","","0.1762","","","","","","1.113","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206240","13.392","0.0007","16.4043","0.0006","15.1901","0.001","90","","90","","90","","3337.1","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","α-Tris(2,4-pentanedionato-κ^2^O,O')vanadium(III)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C120 H168 O48 V8 -","8","1","LH6448","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","The α polymorph of racemic tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')vanadium(III), redetermined at 120 K","Acta Crystallographica Section E","2005","61","7","m1326","m1328","10.1107/S1600536805018441","","","0.71073","MoKα","","0.156","0.0575","","","0.1045","0.1347","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206244","7.022","0.001","13.667","0.002","15.192","0.002","90","","90","","90","","1458","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-acetyl-5-hydroxyphenolato-κ^2^O,O')copper(II)","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C64 H56 Cu4 O24 -","4","0.5","LH6458","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Bis(2-acetyl-5-hydroxyphenolato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","7","m1429","m1430","10.1107/S160053680501980X","","","0.71073","MoKα","","0.062","0.036","","","0.104","0.117","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206267","11.5212","0.0018","7.9018","0.0012","30.551","0.005","90","","90","","90","","2781.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C96 H144 N32 O24 -","8","1","RZ6079","Li-Rong Wen; Zi-Qin Ke; Bo Qu; Ming Li","Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate","Acta Crystallographica Section E","2005","61","7","o2018","o2019","10.1107/S160053680501679X","","","0.71073","MoKα","","0.0718","0.0513","","","0.1447","0.1556","","","","","","0.992","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206283","11.9182","0.0005","16.5293","0.0007","21.1391","0.0009","90","","90","","90","","4164.4","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]","","- C21 H16 O7 Zn2 -","- C21 H16 O7 Zn2 -","- C168 H128 O56 Zn16 -","8","1","SG6015","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","<i>catena</i>-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]","Acta Crystallographica Section E","2005","61","7","m1340","m1342","10.1107/S1600536805018404","","","0.71073","MoKα","","0.069","0.051","","","0.119","0.129","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206309","9.801","0.003","15.549","0.004","26.142","0.007","90","","90","","90","","3983.9","1.9","273","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]benzonitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C192 H152 N24 O16 -","8","1","WK6050","Xu-Feng Liu; Zeng-Pei Zhong; Zun-Le Xu","4-[4,5-Bis(4-methoxyphenyl)-1<i>H</i>-imidazol-2-yl]benzonitrile","Acta Crystallographica Section E","2005","61","7","o1976","o1977","10.1107/S1600536805016946","","","0.71073","MoKα","","","0.0541","","","","0.1296","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206324","16.5457","0.0009","16.7931","0.0009","22.4135","0.0012","90","","90","","90","","6227.7","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Tris{2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)iron(II) diperchlorate acetonitrile solvate","","- C23 H33 Cl2 Fe N11 O8 -","- C23 H33 Cl2 Fe N11 O8 -","- C184 H264 Cl16 Fe8 N88 O64 -","8","1","XU6015","Chen, Hong-Mei; Yang, Shi-Ping; Chen, Qiong-Qiong; Chen, Jia-Min; Yu, Xi-Bin","(Tris{2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)iron(II) diperchlorate acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","m1277","m1279","10.1107/S1600536805017083","","","0.71073","MoKα","","0.078","0.053","","","0.15","0.163","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206334","7.8929","0.0008","29.415","0.004","12.4679","0.0014","90","","90","","90","","2894.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,3,5-Trimethylphenoxy)phthalonitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","1","AT6019","Akbal, Tufan; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan; Erdönmez, Ahmet","4-(2,3,5-Trimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","8","o2630","o2631","10.1107/S1600536805022592","","","0.71073","MoKα","","0.082","0.036","","","0.089","0.1","","","","","","0.8","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206335","14.2841","0.0014","8.3753","0.0005","22.353","0.002","90","","90","","90","","2674.2","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-(2-Bromo-4-chlorophenoxy)phthalonitrile","","- C14 H6 Br Cl N2 O -","- C14 H6 Br Cl N2 O -","- C112 H48 Br8 Cl8 N16 O8 -","8","1","AT6020","Atalay, Şehriman; Ocak Ískeleli, Nazan; Ağar, Erbil; Akdemir, Nesuhi","4-(2-Bromo-4-chlorophenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","8","o2654","o2655","10.1107/S1600536805021057","","","0.71073","MoKα","","0.112","0.057","","","0.123","0.144","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206336","14.929","0.005","8.2223","0.0016","18.737","0.006","90","","90","","90","","2300","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)ethoxy] ether","","- C20 H22 N8 O2 S2 -","- C20 H22 N8 O2 S2 -","- C80 H88 N32 O8 S8 -","4","0.5","AT6021","Wei Wang; Bing Zhao; Peng-Wu Zheng; Xue-Min Duan","Bis[2-(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)ethoxy] ether","Acta Crystallographica Section E","2005","61","8","o2623","o2624","10.1107/S160053680502249X","","","0.71073","MoKα","","0.091","0.044","","","1.101","0.128","","","","","","1.01","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206396","7.8486","0.0013","6.8254","0.0012","28.771","0.005","90","","90","","90","","1541.3","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-dibenzoylpiperazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","CV6540","Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min","<i>N</i>,<i>N</i>'-Dibenzoylpiperazine","Acta Crystallographica Section E","2005","61","8","o2513","o2514","10.1107/S160053680502088X","","","0.71073","MoKα","","0.0576","0.0382","","","0.0941","0.1062","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206416","14.206","0.004","14.015","0.004","22.639","0.006","90","","90","","90","","4507","2","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexacarbonyl-bis(μ~2~-2-methoxyphenylthiolato)diiron(I)(Fe—Fe)","","- C20 H14 Fe2 O8 S2 -","- C20 H14 Fe2 O8 S2 -","- C160 H112 Fe16 O64 S16 -","8","1","ER6017","Si, You-Tao; Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Chang-Neng","Hexacarbonylbis(μ~2~-2-methoxyphenylthiolato)diiron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2005","61","8","m1447","m1448","10.1107/S1600536805020313","","","0.71073","MoKα","","","0.032","","","0.0858","0.0877","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206424","9.41","0.001","12.605","0.001","23.229","0.002","90","","90","","90","","2755.3","0.4","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-trans-Bromo-5-cis-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran","","- C14 H18 Br F O -","- C14 H18 Br F O -","- C112 H144 Br8 F8 O8 -","8","1","FL6180","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","3-<i>trans</i>-Bromo-5-<i>cis</i>-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran","Acta Crystallographica Section E","2005","61","8","o2770","o2771","10.1107/S1600536805023913","","","0.71073","MoKα","","0.1133","0.0733","","","0.1661","0.1878","","","","","","1.197","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206451","12.959","0.005","10.908","0.005","23.797","0.005","90","","90","","90","","3364","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]non-4-yl)imidazo[2,1-b][1,3]thiazole- 5-carboxamide monohydrate","","- C14 H18 N4 O3 S2 -","- C14 H18 N4 O3 S2 -","- C112 H144 N32 O24 S16 -","8","1","HK6020","Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Frank W. Heinemann","6-Methyl-<i>N</i>-(3-oxo-1-thia-4-azaspiro[4.4]non-4-yl)imidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate","Acta Crystallographica Section E","2005","61","8","o2357","o2359","10.1107/S1600536805020088","","","0.71069","MoKα","","0.052","0.0345","","","0.0702","0.0762","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206499","8.7063","0.0012","14.7402","0.0016","24.965","0.002","90","","90","","90","","3203.8","0.6","292","1","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[(acetonitrile-κN)silver(I)]-μ-[bis(pyrimidin-2- ylsulfanyl)methane-κ^2^N^1^:N^1'^] tetrafluoroborate]","","- C11 H11 Ag B F4 N5 S2 -","- C11 H11 Ag B F4 N5 S2 -","- C88 H88 Ag8 B8 F32 N40 S16 -","8","1","NG6148","Hou, Bao-Hong; Zhou, Li-Na; Wei, Hong-Yuan; Wang, Jing-Kang; Chen, Wei","<i>catena</i>-Poly[[[(acetonitrile-κ<i>N</i>)silver(I)]-μ-bis(pyrimidin-2-ylsulfanyl)methane-κ^2^<i>N</i>^1^:<i>N</i>^1'^] tetrafluoroborate]","Acta Crystallographica Section E","2005","61","8","m1658","m1659","10.1107/S1600536805019288","","","0.71073","MoKα","","0.0696","0.0431","","","0.1059","0.1273","","","","","","1.181","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206569","14.114","0.003","5.5098","0.001","25.621","0.005","90","","90","","90","","1992.4","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4,6-Dichloro-[1,3,5]triazin-2-yl)-phenyl-amine","","- C9 H6 Cl2 N4 -","- C9 H6 Cl2 N4 -","- C72 H48 Cl16 N32 -","8","1","WK6055","Tao Zeng; Chuan-Ming Dong; Xue-Gui Shu","<i>N</i>-(4,6-Dichloro-1,3,5-triazin-2-yl)aniline","Acta Crystallographica Section E","2005","61","8","o2334","o2335","10.1107/S1600536805020386","","","0.71073","MoKα","","0.0803","0.0541","","","0.1016","0.1112","","","","","","1.132","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206595","18.0634","0.0016","15.1108","0.0013","18.8377","0.0017","90","","90","","90","","5141.8","0.8","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 4,8-dioxo-2,6-diphenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C26 H28 N6 O6 -","- C26 H28 N6 O6 -","- C208 H224 N48 O48 -","8","1","WW6409","Yin, Guo-Dong; Chen, Yun-Feng; Zhou, Bao-Han; Wu, An-Xin","Diethyl 4,8-dioxo-2,6-diphenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","8","o2467","o2469","10.1107/S1600536805021525","","","0.71073","MoKα","","0.079","0.0574","","","0.1528","0.1805","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206608","12.503","0.005","9.894","0.004","26.88","0.01","90","","90","","90","","3325","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu N3 O3 -","- C17 H17 Cu N3 O3 -","- C136 H136 Cu8 N24 O24 -","8","1","XU6030","Liu, Ming-Li; Dou, Jian-Min; Wang, Da-Qi; Li, Da-Cheng","[1-Acetylacetone (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)","Acta Crystallographica Section E","2005","61","8","m1662","m1664","10.1107/S1600536805023639","","","0.71073","MoKα","","0.149","0.067","","","0.156","0.22","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206654","14.86","0.003","13.56","0.002","24.959","0.005","90","","90","","90","","5029.3","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","","- C26 H30 Cl2 Co N2 O2 -","- C26 H30 Cl2 Co N2 O2 -","- C208 H240 Cl16 Co8 N16 O16 -","8","1","CI6623","Li, Zong-Xiao; Zhang, Xin-Li","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","Acta Crystallographica Section E","2005","61","9","o2806","o2807","10.1107/S1600536805024384","","","0.71073","MoKα","","0.0727","0.0345","","","0.0631","0.069","","","","","","0.846","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206659","14.848","0.002","13.567","0.002","24.993","0.005","90","","90","","90","","5034.7","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)","","- C26 H30 Cl2 N2 O2 Zn -","- C26 H30 Cl2 N2 O2 Zn -","- C208 H240 Cl16 N16 O16 Zn8 -","8","1","CI6629","Li, Zong-Xiao; Zhang, Xin-Li","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","9","m1755","m1756","10.1107/S1600536805025250","","","0.71073","MoKα","","0.0899","0.0373","","","0.0661","0.0746","","","","","","0.901","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206678","13.1389","0.0003","25.6885","0.0005","31.1822","0.0007","90","","90","","90","","10524.6","0.4","295","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di-μ-aqua-1:2κ^4^O:O-triaqua-1κ^3^O-dilosartanido-1κN;2κ^2^N,N'- dipotassium dihydrate","","- C22 H29 Cl K N6 O4.5 -","- C22 H29 Cl K N6 O4.5 -","- C352 H464 Cl16 K16 N96 O72 -","16","2","DN6239","Xiu-Rong Hu; Yun-Wu Wang; Jian-Ming Gu","Losartan potassium 3.5-hydrate, a new crystalline form","Acta Crystallographica Section E","2005","61","9","m1686","m1688","10.1107/S1600536805024001","","","0.7107","MoKα","","","0.054","","","","0.124","","","","","","1.023","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2206707","13.7829","0.0011","12.5247","0.001","18.2985","0.0014","90","","90","","90","","3158.8","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N,N-dimethylbenzylamine)pentacarbonyltungsten","","- C14 H13 N O5 W -","- C14 H13 N O5 W -","- C112 H104 N8 O40 W8 -","8","1","HG6224","Mahmud, Tariq; Iqbal, Javed; Irshad, Muhammad; Elsegood, Mark R. J.; McKee, Vickie","Pentacarbonyl(<i>N</i>,<i>N</i>-dimethylbenzylamine)tungsten","Acta Crystallographica Section E","2005","61","9","m1789","m1791","10.1107/S1600536805025560","","","0.71073","MoKα","","0.0701","0.0329","","","0.06","0.0737","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206728","9.6272","0.0009","15.0692","0.0014","21.286","0.0019","90","","90","","90","","3088","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl 2,5-diphenylfuran-3-carboxylate","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","IS6110","Meng, Xiang-Gao; Wu, An-Xin","Ethyl 2,5-diphenylfuran-3-carboxylate","Acta Crystallographica Section E","2005","61","9","o2808","o2809","10.1107/S1600536805024554","","","0.71073","MoKα","","0.0586","0.0428","","","0.1079","0.1186","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206759","10.6042","0.0003","20.1157","0.0008","25.9795","0.0008","90","","90","","90","","5541.7","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(1H-benzimidazole-κN^3^)(thiodiacetato-κ^3^O,S,O')cadmium(II) dihydrate","","- C25 H26 Cd N6 O6 S -","- C25 H26 Cd N6 O6 S -","- C200 H208 Cd8 N48 O48 S8 -","8","1","NG6172","Tian-Tian Pan; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cadmium(II) dihydrate","Acta Crystallographica Section E","2005","61","9","m1735","m1737","10.1107/S1600536805024086","","","0.71069","MoKα","","0.086","0.067","","","0.151","0.167","","","","","","1.326","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206977","5.4659","0.001","13.6278","0.0019","32.124","0.004","90","","90","","90","","2392.9","0.6","296","2","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hexyloxyphenylamine","4-(n-Hexyloxy)aniline","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","HG6243","Herrera, Ana M.; Bernès, Sylvain; López, Delia","4-(Hexyloxy)aniline","Acta Crystallographica Section E","2005","61","10","o3212","o3213","10.1107/S160053680502787X","","","0.71073","MoKα","","0.1079","0.0501","","","0.1173","0.1494","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206980","7.146","0.004","17.906","0.009","21.697","0.011","90","","90","","90","","2776","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-fluorobenzylideneamino)-2H- 1,2,4-triazole-3(4H)-thione","","- C12 H10 F N7 S -","- C12 H10 F N7 S -","- C96 H80 F8 N56 S8 -","8","1","HG6247","Yang, Xiu-Ying; Shang, Yu-Qing; Yu, Guan-Ping; Zhang, Pu-Yong; Li, Wei-Hua; Hou, Bao-Rong","5-[(1<i>H</i>-1,2,4-Yriazol-1-yl)methyl]-4-(4-fluorobenzylideneamino)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3371","o3372","10.1107/S1600536805029715","","","0.71073","MoKα","","0.0978","0.0441","","","0.0909","0.1108","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206993","11.4827","0.0009","15.6864","0.0013","18.4671","0.0014","90","","90","","90","","3326.3","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide","","- C15 H22 N O4 S -","- C15 H22 N O4 S -","- C120 H176 N8 O32 S8 -","8","1","JH6014","Zhou, Bao-Han; Meng, Xiang-Gao; Yin, Guo-Dong; Wu, An-Xin","4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide","Acta Crystallographica Section E","2005","61","10","o3377","o3379","10.1107/S1600536805028035","","","0.71073","MoKα","","0.0683","0.0467","","","0.1303","0.1455","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207002","7.2099","0.0005","13.6448","0.0009","29.631","0.003","90","","90","","90","","2915","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","LH6476","Deveci, Özlem; Işık, Şamil; Albayrak, Çiǧdem; Ağar, Erbil","2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol","Acta Crystallographica Section E","2005","61","10","o3226","o3227","10.1107/S1600536805028072","","","0.71073","MoKα","","0.1385","0.0534","","","0.1357","0.1726","","","","","","0.885","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207076","15.518","0.003","9.3215","0.0018","22.942","0.005","90","","90","","90","","3318.6","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-(4-Hydroxybenzylidene)benzohydrazide dimethylformamide solvate","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C136 H152 N24 O24 -","8","1","TK6258","Jing, Zuo-Liang; Fan, Zhi; Yu, Ming; Chen, Xin; Deng, Qi-Liang","<i>N</i>'-(4-Hydroxybenzylidene)benzohydrazide dimethylformamide solvate","Acta Crystallographica Section E","2005","61","10","o3495","o3496","10.1107/S1600536805030679","","","0.71073","MoKα","","0.137","0.046","","","0.101","0.149","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207140","12.764","0.009","7.361","0.005","31.03","0.02","90","","90","","90","","2915","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-[4-(2-Chloroethyloxy)naphthyl]fulvene","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C144 H120 Cl8 O8 -","8","1","BH6042","Li, Jie; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","6-[4-(2-Chloroethyloxy)naphthyl]fulvene","Acta Crystallographica Section E","2005","61","11","o3901","o3902","10.1107/S1600536805034483","","","0.71073","MoKα","","0.1184","0.0619","","","0.1262","0.1445","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207145","13.9094","0.0009","6.8497","0.0005","21.8148","0.0014","90","","90","","90","","2078.4","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~6~-1,4-benzenedicarboxylato)hemi(μ~6~-succinato)gadolinium(III)]","","- C20 H12 Gd2 O12 -","- C20 H12 Gd2 O12 -","- C80 H48 Gd8 O48 -","4","0.5","BT6749","Chun-Xiang Wang; Zhi-Feng Li","Poly[bis(μ~4~-1,4-benzenedicarboxylato)(μ~6~-succinato)digadolinium(III)]","Acta Crystallographica Section E","2005","61","11","m2212","m2213","10.1107/S1600536805031314","","","0.71073","MoKα","","0.019","0.0173","","","0.0433","0.044","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207149","7.9154","0.0009","13.7376","0.0014","22.98","0.003","90","","90","","90","","2498.8","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-[2-(1-Methyl-1H-indol-3-yl)methylidene]cyclohexanone","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","BT6754","K. Ravikumar; B. Sridhar; C. J.Saikia; R. C. Boruah","(<i>Z</i>)-[2-(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]cyclohexanone","Acta Crystallographica Section E","2005","61","11","o3672","o3673","10.1107/S1600536805032563","","","0.71073","MoKα","","0.0636","0.0516","","","0.133","0.1411","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207150","9.8697","0.0008","16.446","0.0014","21.4643","0.0018","90","","90","","90","","3484","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3'-Nitro-4'-(4-methylphenyl)spiro[1H-indole-3,2'-pyrrolidin]-2-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C152 H152 N24 O24 -","8","1","BT6755","S. Selvanayagam; P. Rathisuganya; B. Shaherin; D. Velmurugan; K. Ravikumar; M. Poornachandran","4'-(4-Methylphenyl)-3'-nitrospiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2005","61","11","o3693","o3695","10.1107/S1600536805032526","","","0.71073","MoKα","","0.091","0.0631","","","0.1367","0.151","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207170","7.434","0.004","5.972","0.002","17.603","0.009","90","","90","","90","","781.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3,6,7-Tetrahydrobenzo[1,2-b;4,5-b']difuran","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","0.5","CF6462","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","2,3,6,7-Tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran","Acta Crystallographica Section E","2005","61","11","o3674","o3675","10.1107/S1600536805032083","","","0.71075","MoKα","","","0.0387","","","","0.1134","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207173","15.11","0.003","9.2097","0.0019","17.084","0.004","90","","90","","90","","2377.4","0.9","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethopabate","Methyl 4-acetamido-2-ethoxybenzoate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C96 H120 N8 O32 -","8","1","CF6466","Gao, Fei; Yin, Cai-Xia; Huo, Fang-Jun; Yang, Pin","Ethopabate","Acta Crystallographica Section E","2005","61","11","o3870","o3871","10.1107/S1600536805034082","","","0.71073","MoKα","","0.06","0.037","","","0.0807","0.0863","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207201","10.4207","0.0018","10.976","0.002","28.962","0.004","90","","90","","90","","3312.6","0.9","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexaaquacadmium(II) bis{4-[2-(4-hydroxyphenyl)-2-propyl]phenolate} dihydrate","","- C30 H46 Cd O12 -","- C30 H46 Cd O12 -","- C120 H184 Cd4 O48 -","4","0.5","CV6591","Ai-Yun Fu; Da-Qi Wang; Yong-Ling Sun","Hexaaquacadmium(II) bis{4-[2-(4-hydroxyphenyl)-2-propyl]phenolate} dihydrate","Acta Crystallographica Section E","2005","61","11","m2353","m2354","10.1107/S1600536805033167","","","0.71073","MoKα","","0.0962","0.0488","","","0.1136","0.1436","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207256","16.629","0.002","14.9729","0.0019","22.899","0.003","90","","90","","90","","5701.5","1.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4,4-Diphenylbuta-1,3-dienyl)-N,N-bis(4-methylphenyl)aniline","","- C36 H31 N -","- C36 H31 N -","- C288 H248 N8 -","8","1","HK6041","Wu, An-Shu; Li, Xiang-Gao; He, Li-Li; Wang, Shi-Rong","4-(4,4-Diphenylbuta-1,3-dienyl)-<i>N</i>,<i>N</i>-bis(4-methylphenyl)aniline","Acta Crystallographica Section E","2005","61","11","o3699","o3700","10.1107/S1600536805032423","","","0.71073","MoKα","","0.1406","0.0504","","","","0.1431","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207291","16.777","0.004","7.4464","0.0015","23.192","0.005","90","","90","","90","","2897.3","1.1","296","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride","","- C14 H20 Cl N O3 -","- C14 H20 Cl N O3 -","- C112 H160 Cl8 N8 O24 -","8","1","LH6514","Yong-Jiang Wang; Wen Pei","1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride","Acta Crystallographica Section E","2005","61","11","o3813","o3814","10.1107/S1600536805033520","","","0.71075","MoKα","","","0.0323","","","","0.0727","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207294","11.481","0.002","9.2619","0.0019","15.723","0.003","90","","90","","90","","1671.9","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine","","- C16 H14 I2 N2 -","- C16 H14 I2 N2 -","- C64 H56 I8 N8 -","4","0.5","LH6517","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","(3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine","Acta Crystallographica Section E","2005","61","11","o3767","o3768","10.1107/S1600536805033052","","","0.71073","MoKα","","0.0451","0.0261","","","0.0628","0.068","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207348","11.0418","0.0017","8.0714","0.0012","41.313","0.007","90","","90","","90","","3681.9","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-N'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","SJ6142","Shi, Jun","(<i>E</i>)-<i>N</i>'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2005","61","11","o3933","o3934","10.1107/S1600536805034872","","","0.71073","MoKα","","0.092","0.0469","","","0.1008","0.1183","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207385","9.375","0.0001","14.4845","0.0002","26.439","0.0003","90","","90","","90","","3590.21","0.07","295","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-N-phenylbenzamide","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C152 H136 N24 O24 S8 -","8","1","WN6376","Jun Wu; Mei-Feng Chen; Li-Hong Wang; Pei-Zhi Zhang","2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2005","61","11","o3728","o3729","10.1107/S1600536805032940","","","0.7107","MoKα","","","0.033","","","","0.072","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207387","8.8417","0.0018","12.081","0.002","14.262","0.003","90","","90","","90","","1523.4","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxypyridinium-1-acetate monohydrate","","- C7 H9 N O4 -","- C7 H9 N O4 -","- C56 H72 N8 O32 -","8","1","WN6386","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Jing-Gui Zhao","3-Hydroxypyridinium-1-acetate monohydrate","Acta Crystallographica Section E","2005","61","11","o3554","o3555","10.1107/S1600536805031284","","","0.71073","MoKα","","0.0434","0.0358","","","0.0953","0.0997","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207413","15.9996","0.0007","15.3187","0.0006","16.7417","0.0007","90","","90","","90","","4103.3","0.3","233.5","0.2","233.5","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[Aqua[bis(2-pyridylmethyl)amino-6-caproato]zinc(II) perchlorate]","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","AC6211","Choi, Ki-Young; Ryu, Haiil; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik; Suh, Il-Hwan","<i>catena</i>-Poly[[[aquazinc(II)]-μ-6-[bis(2-pyridylmethyl)amino]caproato] perchlorate]","Acta Crystallographica Section E","2005","61","12","m2474","m2476","10.1107/S1600536805035026","","","0.71073","MoKα","","0.093","0.0412","","","0.0944","0.1269","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207469","9.297","0.003","15.673","0.005","24.329","0.009","90","","90","","90","","3545","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-diiodophenyl acridine-9-carboxylate","","- C20 H11 I2 N O2 -","- C20 H11 I2 N O2 -","- C160 H88 I16 N8 O16 -","8","1","CF2003","Artur Sikorski; Karol Krzymiński; Agata Białońska; Tadeusz Lis; Jerzy Błażejowski","2,6-Diiodophenyl acridine-9-carboxylate","Acta Crystallographica Section E","2005","61","12","o4355","o4357","10.1107/S1600536805038729","","","0.71073","MoKα","","0.0694","0.0381","","","0.0879","0.0955","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207472","18.656","0.002","16.674","0.003","18.863","0.003","90","","90","","90","","5867.7","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Diaqua-2,3,4,5,6-pentaisopropoxy-1-nickeladodecaborane","","- C15 H45 B11 Ni O7 -","- C15 H45 B11 Ni O7 -","- C120 H360 B88 Ni8 O56 -","8","1","CF6470","Li-Bin Wu; Jian-Min Dou; Qing-Liang Guo; Da-Cheng Li; Da-Qi Wang","1,1-Diaqua-2,3,4,5,6-pentaisopropoxy-1-nickeladodecaborane","Acta Crystallographica Section E","2005","61","12","m2585","m2587","10.1107/S1600536805036470","","","0.71073","MoKα","","0.1422","0.0513","","","0.1144","0.1685","","","","","","1.077","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207494","14.983","0.001","13.587","0.001","25.143","0.002","90","","90","","90","","5118.5","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]zinc(II)","","- C26 H30 Br2 N2 O2 Zn -","- C26 H30 Br2 N2 O2 Zn -","- C208 H240 Br16 N16 O16 Zn8 -","8","1","CI6692","You, Zhong-Lu","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2493","m2494","10.1107/S160053680503552X","","","0.71073","MoKα","","0.1027","0.0514","","","0.1093","0.1306","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207498","23.26","0.002","13.305","0.002","13.119","0.003","90","","90","","90","","4060","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclopropyliminomethyl)phenolato]zinc(II)","","- C20 H18 Br2 N2 O2 Zn -","- C20 H18 Br2 N2 O2 Zn -","- C160 H144 Br16 N16 O16 Zn8 -","8","1","CI6696","You, Zhong-Lu","Bis[4-bromo-2-(cyclopropyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2501","m2502","10.1107/S1600536805035579","","","0.71073","MoKα","","0.1033","0.0431","","","0.0824","0.1016","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207522","16.896","0.002","8.3711","0.001","20.345","0.003","90","","90","","90","","2877.6","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-isopropyl-9H-carbazole","","- C15 H13 Br2 N -","- C15 H13 Br2 N -","- C120 H104 Br16 N8 -","8","1","DN6274","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","3,6-Dibromo-9-isopropyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","12","o4227","o4228","10.1107/S1600536805037372","","","0.71073","MoKα","","0.1088","0.0504","","","0.119","0.1439","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207540","6.964","0.005","7.139","0.005","22.193","0.015","90","","90","","90","","1103.3","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(biguanido-κ^2^N,N')nickel(II) dihydrate","","- C4 H16 N10 Ni O2 -","- C4 H16 N10 Ni O2 -","- C16 H64 N40 Ni4 O8 -","4","0.5","HB6293","Su, Ying-Lan; Lu, Li-Ping; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate","Acta Crystallographica Section E","2005","61","12","m2531","m2533","10.1107/S1600536805035944","","","0.71073","MoKα","","0.0541","0.0356","","","0.0813","0.0859","","","","","","0.886","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207580","9.842","0.003","15.29","0.005","19.434","0.006","90","","90","","90","","2924.5","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxo-4H-thieno[2,3-b]thiopyran- 4-yl]acetamide","","- C10 H14 N2 O5 S3 -","- C10 H14 N2 O5 S3 -","- C80 H112 N16 O40 S24 -","8","1","JH6024","Zhen-Guang Zou; Peng Guo; Yin-Xiang Lu","<i>N</i>-[2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxo-4<i>H</i>-thieno[2,3-<i>b</i>]thiopyran-4-yl]acetamide","Acta Crystallographica Section E","2005","61","12","o4096","o4098","10.1107/S1600536805036718","","","0.71073","MoKα","","0.0749","0.0393","","","0.1053","0.1135","","","","","","0.959","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207586","12.408","0.001","6.4174","0.0006","15.004","0.002","90","","90","","90","","1194.7","0.2","291","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Di-4-pyridylbutane-2,3-diol","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","LH2001","Niu, Yun-Yin; Liu, Xiu-Cun; Zain, Sharifuddin M.; Ng, Seik Weng","2,3-Di-4-pyridylbutane-2,3-diol","Acta Crystallographica Section E","2005","61","12","o4303","o4304","10.1107/S1600536805038250","","","0.71073","MoKα","","0.054","0.037","","","0.091","0.103","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207627","15.4","0.002","7.4361","0.0011","33.601","0.005","90","","90","","90","","3847.9","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-(2,3-dichlorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one hydrochloride","","- C17 H19 Cl3 N2 O S -","- C17 H19 Cl3 N2 O S -","- C136 H152 Cl24 N16 O8 S8 -","8","1","RZ6132","Yang, Xiong-Wen; Li, Ai-Jun; Zhu, Kong-Ming; Zhou, Xue-Qin; Liu, Dong-Zhi","4-(2,3-Dichlorophenyl)-1-[3-oxo-3-(2-thienyl)propyl]piperazin-1-ium chloride","Acta Crystallographica Section E","2005","61","12","o4144","o4145","10.1107/S1600536805037190","","","0.71073","MoKα","","0.0801","0.0583","","","0.1278","0.139","","","","","","1.115","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207667","13.8042","0.0009","6.791","0.0004","21.7163","0.0013","90","","90","","90","","2035.8","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-didysprosium(III)]","","- C20 H12 Dy2 O12 -","- C20 H12 Dy2 O12 -","- C80 H48 Dy8 O48 -","4","0.5","SU6248","Zhi-Feng Li; Chun-Xiang Wang","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-didysprosium(III)]","Acta Crystallographica Section E","2005","61","12","m2689","m2690","10.1107/S1600536805038171","","","0.71073","MoKα","","0.0226","0.0212","","","0.0592","0.06","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207703","16.6996","0.0008","19.5711","0.0006","22.968","0.0011","90","","90","","90","","7506.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-N,N'-bis(3-hydroxysalicylidene)benzylamine tetrahydrofuran solvate","","- C40 H41 N3 O9 U Zn -","- C40 H41 N3 O9 U Zn -","- C320 H328 N24 O72 U8 Zn8 -","8","1","XU6075","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-<i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)benzylamine","Acta Crystallographica Section E","2005","61","12","m2607","m2609","10.1107/S1600536805035488","","","0.71073","MoKα","","0.118","0.048","","","0.066","0.083","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207715","12.36","0.002","7.1688","0.0014","33.275","0.006","90","","90","","90","","2948.4","0.9","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2',4'-Dihydroxy-5',6'-dimethoxychalcone","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","AT6060","Usman, Hanapi; Jalaluddin, Muhammad N.; Hakim, Euis H.; Yana, S.; Yamin, Bohari M.","2',4'-Dihydroxy-5',6'-dimethoxychalcone","Acta Crystallographica Section E","2006","62","1","o209","o211","10.1107/S160053680504047X","","","0.71073","MoKα","","0.072","0.053","","","0.121","0.13","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207763","12.787","0.004","9.918","0.003","13.524","0.004","90","","90","","90","","1715.1","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-hydroxyphenyl)acrylamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","CV6616","Wei-Qiang Chen; Qi-Ya; Xuan-Ming Duan","<i>N</i>-(4-Hydroxyphenyl)acrylamide","Acta Crystallographica Section E","2006","62","1","o145","o146","10.1107/S1600536805040730","","","0.71073","MoKα","","0.0502","0.0392","","","0.1237","0.1338","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207805","7.985","0.002","10.583","0.004","19.79","0.005","90","","90","","90","","1672.4","0.9","296","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Nitro-1,2,3,4-tetrahydroquinoline","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C72 H80 N16 O16 -","8","1","IS6161","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","7-Nitro-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2006","62","1","o62","o63","10.1107/S1600536805040067","","","0.71075","MoKα","","","0.0348","","","","0.0713","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207834","8.841","0.0017","20.584","0.004","22.344","0.002","90","","90","","90","","4066.2","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydro- 1-azapentalene-3a-carboxylate","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C192 H216 N8 O24 -","8","1","LH6566","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Loaiza, Alix Elena; Jaramillo-Gómez, Luz Marina","Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydrocyclopenta[<i>b</i>]pyrrole-3a-carboxylate: hydrogen-bonded <i>R</i>~<b>4~</b>^<b>4^</b>(24) sheets","Acta Crystallographica Section E","2006","62","1","o165","o167","10.1107/S1600536805040742","","","0.71073","MoKα","","0.0942","0.0547","","","0.0926","0.1085","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207864","9.6551","0.0011","9.1665","0.001","17.673","0.002","90","","90","","90","","1564.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-(hydroxyimino)-N-phenylacetamide","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","1","RZ6147","Liu, Shaojie; Ma, Mingliang; Zhou, Hongyu; Li, Yan; Han, Ling","(<i>E</i>)-2-(Hydroxyimino)-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2006","62","1","o316","o317","10.1107/S1600536805042030","","","0.71073","MoKα","","0.0591","0.0479","","","0.1314","0.1394","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207877","10.84","0.002","9.74","0.001","23.596","0.003","90","","90","","90","","2491.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C96 H80 Cl8 N8 O16 S8 -","8","1","SG6049","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.","<i>N</i>-(4-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","1","o376","o378","10.1107/S1600536805041929","","","0.7107","MoKα","","0.049","0.0381","","","0.1015","0.127","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207890","8.623","0.002","8.249","0.002","13.075","0.003","90","","90","","90","","930","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-mercapto-1,3,4-thiadiazole","1,3,4-Thiadiazolium-2-thiolate","","- C2 H2 N2 S2 -","- C2 H2 N2 S2 -","- C16 H16 N16 S16 -","8","1","SJ6174","Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang","1,3,4-Thiadiazolium-2-thiolate","Acta Crystallographica Section E","2006","62","1","o350","o351","10.1107/S1600536805042388","","","0.71073","MoKα","","0.0225","0.0211","","","0.0541","0.0556","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207931","13.811","0.007","5.855","0.002","38.55","0.015","90","","90","","90","","3117","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-di-4-pyridyl-1,3,4-oxadiazole‒hydroquinone (1/1)","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C144 H112 N32 O24 -","8","1","WW6442","Wang, Yong-Tao; Tang, Gui-Mei; Qin, Da-Wei; Duan, Hong-Dong","1:1 Cocrystal of 2,5-di-4-pyridyl-1,3,4-oxadiazole and hydroquinone","Acta Crystallographica Section E","2006","62","1","o45","o46","10.1107/S1600536805040018","","","0.71073","MoKα","","0.0817","0.0636","","","0.1237","0.1333","","","","","","1.202","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207939","8.968","0.002","16.69","0.003","22.019","0.004","90","","90","","90","","3295.7","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-(4-chlorobenzyl)-9H-carbazole","","- C19 H12 Br2 Cl N -","- C19 H12 Br2 Cl N -","- C152 H96 Br16 Cl8 N8 -","8","1","WW6464","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o143","o144","10.1107/S1600536805040821","","","0.71073","MoKα","","0.0641","0.0348","","","0.0834","0.0985","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207942","10.856","0.005","8.245","0.004","38.898","0.017","90","","90","","90","","3482","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C20 H15 F N4 O -","- C20 H15 F N4 O -","- C160 H120 F8 N32 O8 -","8","1","XU6071","Jing Wang; Song-Lei Zhu","4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","Acta Crystallographica Section E","2006","62","1","o47","o48","10.1107/S1600536805039462","","","0.71073","MoKα","","0.114","0.057","","","0.134","0.165","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207948","19.214","0.003","14.821","0.002","19.639","0.003","90","","90","","90","","5592.6","1.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-{(2,4-Dichlorophenyl)[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4- yl)methyl}-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol monohydrate","","- C27 H18 Cl2 F6 N4 O3 -","- C27 H18 Cl2 F6 N4 O3 -","- C216 H144 Cl16 F48 N32 O24 -","8","1","AC2002","Chang-Sheng Yao; Chen-Xia Yu; Shu-Jiang Tu; Xiang-Shan Wang","4-{(2,4-Dichlorophenyl)[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-4yl]methyl}-1-phenyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-5-ol monohydrate","Acta Crystallographica Section E","2006","62","2","o771","o773","10.1107/S1600536806002339","","","0.71073","MoKα","","0.1559","0.0571","","","0.1016","0.1373","","","","","","1.001","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207984","9.919","0.001","9.687","0.001","19.656","0.002","90","","90","","90","","1888.7","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(tetramethylammonium) di-μ-fluoro-bis[aquatetrafluorohafnate(IV)]","","- C8 H28 F10 Hf2 N2 O2 -","- C8 H28 F10 Hf2 N2 O2 -","- C32 H112 F40 Hf8 N8 O8 -","4","0.5","BV6041","Gerasimenko, Andrey V.; Davidovich, Ruven L.; Tkachev, Valery V.; Ng, Seik Weng","Bis(tetramethylammonium) di-μ-fluoro-bis[aquatetrafluorohafnate(IV)]","Acta Crystallographica Section E","2006","62","2","m196","m197","10.1107/S1600536805042479","","","0.71073","MoKα","","0.025","0.021","","","0.053","0.055","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207989","10.391","0.004","7.771","0.003","33.314","0.013","90","","90","","90","","2690.1","1.8","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Potassium 2-benzoylbenzoate dihydrate","","- C14 H13 K O5 -","- C14 H13 K O5 -","- C112 H104 K8 O40 -","8","1","CF6482","Wang, Dan-Dan; Zhu, Hong-Jun; Shan, Ning; Song, Guang-Liang; Wang, Jin-Tang","Potassium 2-benzoylbenzoate dihydrate","Acta Crystallographica, Section E","2006","62","2","o427","o428","10.1107/S160053680504290X","","","0.71073","MoKα","","0.1193","0.105","","","0.2351","0.2427","","","","","","1.368","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2208027","7.644","0.0005","14.1397","0.001","23.7588","0.0016","90","","90","","90","","2567.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","1","CV6624","Sundar, T. V.; Parthasarathi, V.; Sridhar, B.; Venkatesan, P.; Nallu, M.","3-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","2","o482","o484","10.1107/S1600536806000079","","","0.71073","MoKα","","0.0386","0.0284","","","0.0697","0.0758","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208037","9.3871","0.0004","14.7295","0.0006","21.6478","0.0009","90","","90","","90","","2993.2","0.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,t-6-Dihydroxy-t-5-methoxycarbonyl-c-6-methyl-r-4-phenyl-4,5,6,7-tetrahydro- 1H-indazole","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","CV6635","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K","3,<i>t</i>-6-Dihydroxy-<i>t</i>-5-methoxycarbonyl-<i>c</i>-6-methyl-<i>r</i>-4-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazole","Acta Crystallographica Section E","2006","62","2","o656","o658","10.1107/S1600536806001486","","","0.71073","MoKα","","0.046","0.0416","","","0.1091","0.1129","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208053","7.303","0.002","11.005","0.002","21.447","0.004","90","","90","","90","","1723.7","0.7","296","2","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-Phenylglycinium chloride","","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C64 H80 Cl8 N8 O16 -","8","1","DN6303","Bouacida, Sofiane; Hocine, Merazig; Patricia, Benard-Rocherulle","<small>DL</small>-Phenylglycinium chloride","Acta Crystallographica Section E","2006","62","2","o838","o840","10.1107/S1600536806003023","","","0.71073","MoKα","","0.0427","0.0298","","","0.0941","0.1159","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208088","6.2331","0.0009","16","0.002","27.741","0.004","90","","90","","90","","2766.6","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Hydroxy-4-nitrophenyl 4-toluenesulfonate","","- C13 H11 N O6 S -","- C13 H11 N O6 S -","- C104 H88 N8 O48 S8 -","8","1","HK6079","Xiu-Jie Ji; Chun-Bao Li; Chao Liu","3-Hydroxy-4-nitrophenyl 4-toluenesulfonate","Acta Crystallographica Section E","2006","62","2","o753","o754","10.1107/S1600536806002406","","","0.71073","MoKα","","0.0782","0.0415","","","0.1119","0.1358","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208091","7.1044","0.0005","15.5318","0.0008","24.6393","0.0002","90","","90","","90","","2718.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Quinolin-4-yloxy)phthalonitrile","","- C17 H9 N3 O -","- C17 H9 N3 O -","- C136 H72 N24 O8 -","8","1","IS6165","Yu, Hai-Yan; Xue, Jin-Ping; Chen, Nai-Sheng; Huang, Jin-Ling","4-(Quinolin-4-yloxy)phthalonitrile","Acta Crystallographica Section E","2006","62","2","o480","o481","10.1107/S1600536805042893","","","0.71073","MoKα","","0.0746","0.0414","","","0.1125","0.1247","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208105","10.1525","0.0014","13.1586","0.0018","14.922","0.002","90","","90","","90","","1993.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(1H-pyrrol-2-ylcarboxamido)propionate","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C72 H96 N16 O24 -","8","1","JH6038","Xiang Chao Zeng; Ying Zhou Cen","Methyl 3-(1<i>H</i>-pyrrol-2-ylcarboxamido)propionate","Acta Crystallographica Section E","2006","62","2","o673","o674","10.1107/S1600536806001954","","","0.71073","MoKα","","0.0993","0.0454","","","0.1026","0.1284","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208132","14.0586","0.0003","6.9445","0.0001","21.9664","0.0005","90","","90","","90","","2144.58","0.07","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]","","- C20 H12 Nd2 O12 -","- C20 H12 Nd2 O12 -","- C80 H48 Nd8 O48 -","4","0.5","NG6269","Zhi-Feng Li; Chun-Xiang Wang; Yong Li; Ding-Jian Cai; You-Jun Xiao","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]","Acta Crystallographica Section E","2006","62","2","m251","m252","10.1107/S1600536806000183","","","0.71073","MoKα","","0.0251","0.0239","","","0.0802","0.0813","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208168","14.797","0.004","7.2616","0.0019","15.191","0.004","90","","90","","90","","1632.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis-pyridino-18-crown-6","3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa- 1(23),8,10,12(24),19,21-hexaene","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","SJ6178","Cheng-Juan Li; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa-1(23),8,10,12(24),19,21-hexaene (bis-pyridino-18-crown-6)","Acta Crystallographica Section E","2006","62","2","o416","o417","10.1107/S1600536805042522","","","0.71073","MoKα","","0.0429","0.0344","","","0.0846","0.0922","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208208","11.622","0.003","7.8368","0.0016","24.017","0.005","90","","90","","90","","2187.5","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Fluorophenyl)phthalimide","","- C14 H8 F N O2 -","- C14 H8 F N O2 -","- C112 H64 F8 N8 O16 -","8","1","WW6462","Dan Xu; Yu-Quan Shi; Bin Chen; Yu-Hong Cheng; Xu Gao","<i>N</i>-(2-Fluorophenyl)phthalimide","Acta Crystallographica Section E","2006","62","2","o408","o409","10.1107/S1600536805041206","","","0.71073","MoKα","","0.1002","0.0366","","","0.0796","0.1038","","","","","","0.985","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208212","13.374","0.005","13.04","0.005","15.742","0.006","90","","90","","90","","2745.4","1.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","WW6473","Guo, Min-Jie; Sun, Jia-Cui; Jing, Zuo-Liang; Yu, Ming; Chen, Xin","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section E","2006","62","2","o820","o821","10.1107/S1600536806002509","","","0.71073","MoKα","","0.0565","0.0416","","","0.1138","0.1267","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208310","8.163","0.0007","29.3272","0.0009","11.436","0.003","90","","90","","90","","2737.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Naphthoxy)phthalonitrile","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C144 H80 N16 O8 -","8","1","DN6305","Ustabaş, Reşat; Çoruh, Ufuk; Akdemir, Nesuhi; Ag̃ar, Erbil; Kalkan, Hüseyin","4-(2-Naphthoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","3","o999","o1000","10.1107/S1600536806004168","","","0.71073","MoKα","","0.1274","0.0442","","","0.0995","0.1117","","","","","","0.632","","","","has coordinates,has Fobs","192348","2020-10-21","18:00:00",""
"2208316","13.8485","0.0018","5.8921","0.0008","19.613","0.002","90","","90","","90","","1600.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromobenzoate","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C64 H56 Br8 O16 -","8","1","FL2004","Bolte, Michael; Wissler, Jörg","Methyl 4-bromobenzoate","Acta Crystallographica Section E","2006","62","3","o1192","o1193","10.1107/S1600536806006866","","","0.71073","MoKα","","0.056","0.0405","","","0.089","0.0928","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208318","8.6967","0.0016","14.557","0.003","27.408","0.005","90","","90","","90","","3469.8","1.1","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(Hydroxydiphenylmethyl)-2-(methoxymethoxy)benzaldehyde","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","1","FL6210","Chen, Wei-Zhu; Zeng, Qing-Le; Fang, Hua; Gao, Yu-Xing; Zhao, Yu-Fen","3-(Hydroxydiphenylmethyl)-2-(methoxymethoxy)benzaldehyde","Acta Crystallographica Section E","2006","62","3","o869","o870","10.1107/S1600536806003035","","","0.71073","MoKα","","0.0596","0.0501","","","0.1368","0.1438","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208322","14.23","0.003","6.945","0.002","21.808","0.009","90","","90","","90","","2155.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-methyl-7-hydroxycoumarin sulfate potassium salt","Potassium (4-methyl-2-oxo-2H-chromen-7-yloxy)sulfate","","- C10 H7 K O6 S -","- C10 H7 K O6 S -","- C80 H56 K8 O48 S8 -","8","1","FL6218","Sierosławski, Krzysztof; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium (4-methyl-2-oxo-2<i>H</i>-chromen-7-yloxy)sulfate","Acta Crystallographica Section E","2006","62","3","m560","m562","10.1107/S1600536806005137","","","0.71073","MoKα","","0.0672","0.056","","","0.1021","0.1045","","","","","","1.244","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208325","10.3428","0.0004","19.8783","0.0004","25.8749","0.0008","90","","90","","90","","5319.8","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Co N6 O6 S -","- C25 H26 Co N6 O6 S -","- C200 H208 Co8 N48 O48 S8 -","8","1","HB2005","Lei Cao; Jia-Geng Liu; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate","Acta Crystallographica Section E","2006","62","3","m579","m581","10.1107/S1600536806005897","","","0.71073","MoKα","","0.105","0.054","","","0.093","0.104","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208359","6.8235","0.0005","9.5334","0.0006","16.4932","0.0011","90","","90","","90","","1072.9","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Mn Na2 O10 -","- C6 H8 Mn Na2 O10 -","- C24 H32 Mn4 Na8 O40 -","4","0.5","IS2003","Yong-Tao Wang; Gui-Mei Tang; Xu-Yang Qin","Poly[diaquadi-μ-malonato-manganese(II)disodium(I)]","Acta Crystallographica Section E","2006","62","3","m582","m584","10.1107/S1600536806005915","","","0.71073","MoKα","","0.0236","0.0221","","","0.0624","0.0638","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208422","9.6944","0.0009","12.1761","0.0011","13.7141","0.0012","90","","90","","90","","1618.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-Bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl)piperazine","","- C16 H26 N6 -","- C16 H26 N6 -","- C64 H104 N24 -","4","0.5","SG2006","Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael","<i>N</i>,<i>N</i>'-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylmethyl)piperazine","Acta Crystallographica Section E","2006","62","3","o1103","o1104","10.1107/S1600536806005654","","","0.71073","MoKα","","0.0411","0.0345","","","0.0971","0.0997","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208455","9.4042","0.0014","15.603","0.002","23.143","0.004","90","","90","","90","","3395.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C144 H152 N24 O16 S8 -","8","1","WN6417","Yusof, M. Sukeri M.; Tajuddin, Nazrizawati A.; Mardi, A. Sahali; Yamin, Bohari M.","4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole","Acta Crystallographica Section E","2006","62","3","o1072","o1074","10.1107/S1600536806005204","","","0.71073","MoKα","","0.085","0.063","","","0.118","0.124","","","","","","1.25","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208459","10.8464","0.0007","16.9377","0.0011","22.2437","0.0014","90","","90","","90","","4086.5","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,9-Bis(ethoxycarbonylethyl)-9H-fluorene","diethyl 3,3'-(9H-fluorene-9,9-diyl)dipropionate","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","XU2002","Hu, Wei-Bing; Liu, Hong-Xia; Tian, Da-Ting; Liu, Cheng-Mei; Liu, Zu-Li","9,9-Bis(ethoxycarbonylethyl)-9<i>H</i>-fluorene","Acta Crystallographica Section E","2006","62","3","o1105","o1106","10.1107/S1600536806005733","","","0.71073","MoKα","","0.083","0.06","","","0.158","0.172","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208499","10.733","0.002","9.842","0.001","24.65","0.002","90","","90","","90","","2603.9","0.6","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C88 H104 N24 O32 S8 -","8","1","BH6071","Silva, Luiz Everson da; Joussef, Antonio Carlos; Andrighetti-Fröhner, Carla Regina; Simões, Cláudia Maria Olivra; Bortoluzzi, Adailton José","5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione","Acta Crystallographica Section E","2006","62","4","o1520","o1521","10.1107/S160053680600969X","","","0.71069","MoKα","","0.0921","0.043","","","0.1009","0.1156","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208506","13.589","0.009","18.546","0.006","16.075","0.008","90","","90","","90","","4051","4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","a triazole derivative","2-[3-(Methylphenoxymethyl)-5-phenyl-4H-1,2,4-triazol-4-yl]benzoic acid","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C184 H152 N24 O24 -","8","1","BT2013","Rajnikant; Dinesh; Madhukar Baburao Deshmukh; Anshu Shawney","2-[3-(Methylphenoxymethyl)-5-phenyl-4<i>H</i>-1,2,4-triazol-4-yl]benzoic acid","Acta Crystallographica Section E","2006","62","4","o1373","o1374","10.1107/S1600536806008464","","","0.71069","MoKα","","0.1393","0.047","","","0.0932","0.115","","","","","","0.904","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208513","12.1452","0.0002","10.6688","0.0002","23.1573","0.0006","90","","90","","90","","3000.6","0.11","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Hydroxy-5,6-dihydro-4H-1,3-thiazine","4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-thiazine","","- C17 H17 N O S -","- C17 H17 N O S -","- C136 H136 N8 O8 S8 -","8","1","BT2020","Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4<i>H</i>-1,3-thiazine","Acta Crystallographica Section E","2006","62","4","o1218","o1220","10.1107/S1600536806007008","","","0.71073","MoKα","","0.0934","0.0464","","","0.0873","0.1017","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208532","15.546","0.004","7.8944","0.0019","25.522","0.007","90","","90","","90","","3132.2","1.4","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1-naphthylammonium) triiodoplumbate(II)","","- C10 H10 I3 N Pb -","- C10 H10 I3 N Pb -","- C80 H80 I24 N8 Pb8 -","8","1","BT2043","Lemmerer, Andreas; Billing, David G.","1-Naphthylammonium triiodoplumbate(II)","Acta Crystallographica Section E","2006","62","4","m904","m906","10.1107/S1600536806011032","","","0.71073","MoKα","","","0.0363","","","","0.0787","","","","","","0.959","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208543","7.195","0.001","13.888","0.002","33.602","0.004","90","","90","","90","","3357.7","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{1-[(2-diethylaminoethylimino)methyl]naphthalato}copper(II)","","- C17 H21 Cu N5 O -","- C17 H21 Cu N5 O -","- C136 H168 Cu8 N40 O8 -","8","1","CF2016","Xiao-Yang Qiu","Azido{1-[(2-diethylaminoethylimino)methyl]naphthalato}copper(II)","Acta Crystallographica Section E","2006","62","4","m849","m850","10.1107/S1600536806010087","","","0.71073","MoKα","","0.0793","0.0548","","","0.1407","0.1559","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208555","11.757","0.002","14.363","0.002","17.535","0.002","90","","90","","90","","2961.1","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo{2-[3-(methylamino)propyliminomethyl]phenolato}zinc(II)","","- C11 H16 Br2 N2 O Zn -","- C11 H16 Br2 N2 O Zn -","- C88 H128 Br16 N16 O8 Zn8 -","8","1","CI2021","Xiao-Yang Qiu","Dibromo{2-[3-(methylamino)propyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","4","m717","m718","10.1107/S1600536806007562","","","0.71073","MoKα","","0.0968","0.0459","","","0.0976","0.119","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208626","12.281","0.003","13.945","0.003","23.527","0.005","90","","90","","90","","4029.2","1.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-di-tert-butyl-4-[(4-methoxyphenylimino)methyl]phenol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C176 H232 N8 O16 -","8","1","HK2017","Xin, Chun-Wei; Zeng, Tao; Li, Jiang-Sheng","2,6-Di-<i>tert</i>-butyl-4-[(4-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section E","2006","62","4","o1560","o1561","10.1107/S1600536806010130","","","0.71073","MoKα","","0.1173","0.0445","","","0.0996","0.1353","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208649","7.6277","0.0009","11.9718","0.0009","17.501","0.0013","90","","90","","90","","1598.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,4,6-hydroquinone dihydrate","2,3,5,6-tetrafluoro-1,4-dihydroxybenzene dihydrate","","- C6 H6 F4 O4 -","- C6 H6 F4 O4 -","- C48 H48 F32 O32 -","8","1","KP2013","Rusak, Paweł; Gdaniec, Maria","2,3,5,6-Tetrafluorohydroquinone dihydrate","Acta Crystallographica Section E","2006","62","4","o1650","o1651","10.1107/S1600536806011172","","","0.71073","MoKα","","0.0492","0.0321","","","0.072","0.0802","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208684","13.3595","0.0003","16.9998","0.0004","45.5887","0.0013","90","","90","","90","","10353.6","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetraphenylphosphonium) (cis-dioxo)bis(1-carboxybenzene-2,3-diolate-O,O')molybdenum(VI)","","- C62 H48 Mo O10 P2 -","- C62 H48 Mo O10 P2 -","- C496 H384 Mo8 O80 P16 -","8","1","OB2002","Litos, Charalambos; Karaliota, Alexandra; Parsons, Simon","Bis(tetraphenylphosphonium) bis(1-carboxybenzene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dioxomolybdate(VI)","Acta Crystallographica Section E","2006","62","4","m928","m930","10.1107/S1600536806010907","","","0.71073","MoKα","","0.0697","0.0452","","","0.0918","0.0996","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2208773","28.3243","0.0009","11.4545","0.0003","7.668","0.0002","90","","90","","90","","2487.81","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-phenethyl)phthalimide","2-phenethylisoindoline-1,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","YA2002","Warzecha, Klaus-Dieter; Lex, Johann; Neudörfl, Jörg M.; Griesbeck, Axel G.","<i>N</i>-(2-Phenethyl)phthalimide","Acta Crystallographica Section E","2006","62","4","o1580","o1581","10.1107/S1600536806010154","","","0.71073","MoKα","","0.081","0.041","","","0.083","0.095","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208782","10.599","0.0014","10.9782","0.0014","31.017","0.004","90","","90","","90","","3609.1","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl) -3-methyl-1H-pyrazole-4-carboxylate","","- C18 H20 N6 O3 -","- C18 H20 N6 O3 -","- C144 H160 N48 O24 -","8","1","AT2023","Jun-Fei Li; Hai-Bin Song; You-Quan Zhu; Hua-Zheng Yang","Ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-ylcarbonyl)-3-methyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2006","62","5","o1756","o1758","10.1107/S160053680601097X","","","0.71073","MoKα","","0.0812","0.0421","","","0.0957","0.1156","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208787","8.582","0.002","11.314","0.003","24.941","0.007","90","","90","","90","","2421.7","1.1","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-methylbenzophenone","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","BH2010","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Anilkumar, H. G.; Basavaraju, Y. B.","4-Methoxy-3-methylbenzophenone","Acta Crystallographica Section E","2006","62","5","o1749","o1750","10.1107/S1600536806011986","","","0.71073","MoKα","","0.0867","0.0527","","","0.1054","0.1185","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208795","19.432","0.003","12.512","0.002","37.267","0.006","90","","90","","90","","9061","2","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ^2^S,S')tin(IV)","","- C16 H30 N2 S4 Sn -","- C16 H30 N2 S4 Sn -","- C256 H480 N32 S64 Sn16 -","16","2","BI2007","Shahzadi, Saira; Ali, Saqib; Fettouhi, Mohammed","Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section E","2006","62","5","m1178","m1180","10.1107/S1600536806014929","","","0.71073","MoKα","","0.1467","0.0577","","","0.0893","0.1103","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208813","8.6268","0.0014","7.682","0.003","21.034","0.004","90","","90","","90","","1393.9","0.6","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipropiodurene","1,1'-(2,3,5,6-tetramethyl-p-phenylene)dipropan-1-one or 2,3,5,6-tetramethyl-1,4-dipropiophenone","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","0.5","BX2001","Pinkus, A. G.; Klausmeyer, Kevin K.; Carson, Cody E.; Custard, Herman C.","Dipropiodurene","Acta Crystallographica Section E","2006","62","5","o1854","o1855","10.1107/S160053680601261X","","","0.71073","MoKα","","0.0416","0.0377","","","0.1035","0.1081","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208842","12.3492","0.0009","9.0553","0.0014","19.813","0.002","90","","90","","90","","2215.6","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimethyl 3,6-dioxatetracyclo[6.1.0.0^2,4^.0^5,7^]nonane-2,9-dicarboxylate","","- C11 H12 O6 -","- C11 H12 O6 -","- C88 H96 O48 -","8","1","CI2058","Hökelek, Tuncer; Çelik, Murat; Gültekin, M. Serdar; Balcı, Metin","Dimethyl 3,6-dioxatetracyclo[6.1.0.0^2,4^.0^5,7^]nonane-2,9-dicarboxylate","Acta Crystallographica Section E","2006","62","5","o1991","o1993","10.1107/S1600536806014401","","","0.71073","MoKα","","0.079","0.0397","","","0.1015","0.1167","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208876","11.3969","0.0017","12.911","0.002","28.337","0.004","90","","90","","90","","4169.7","1.1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(di-2-pyridylaminato N,N'-dioxide)nickel(II) methanol solvate","","- C21 H20 N6 Ni O5 -","- C21 H20 N6 Ni O5 -","- C168 H160 N48 Ni8 O40 -","8","1","EZ2001","Kuang, Han-Mao; Zeng, Xi-Rui; Liu, Yin-Qiu; Luo, Qiu-Yan; Fang, Xiao-Niu","Bis[bis(1-oxo-2-pyridyl)aminato]nickel(II) methanol solvate","Acta Crystallographica Section E","2006","62","5","m1132","m1133","10.1107/S1600536806014383","","","0.71073","MoKα","","0.059","0.036","","","0.087","0.097","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208885","15.384","0.002","17.603","0.002","19.469","0.002","90","","90","","90","","5272.3","1.1","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine- κP)ruthenium(IV) hexafluorophosphate","","- C26 H26 Br F6 N P2 Ru -","- C26 H26 Br F6 N P2 Ru -","- C208 H208 Br8 F48 N8 P16 Ru8 -","8","1","GK2003","Pavlik, Sonja; Kirchner, Karl; Mereiter, Kurt","(η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine-κ<i>P</i>)ruthenium(IV) hexafluorophosphate","Acta Crystallographica Section E","2006","62","5","m1051","m1053","10.1107/S1600536806012712","","","0.71073","MoKα","","0.0401","0.0234","","","0.0493","0.0558","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208902","16.0883","0.0003","19.262","0.0004","22.2566","0.0004","90","","90","","90","","6897.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Triaquatetrakis(dimethylacetamide-κO)gadolinium(III) hexacyanoferrate(III) dihydrate","","- C22 H46 Fe Gd N10 O9 -","- C22 H46 Fe Gd N10 O9 -","- C176 H368 Fe8 Gd8 N80 O72 -","8","1","HG2026","Svendsen, Helle; Overgaard, Jacob; Chevalier, Marie A.; Iversen, Bo B.","Triaquatetrakis(dimethylacetamide-κ<i>O</i>)gadolinium(III) hexacyanoferrate(III) dihydrate","Acta Crystallographica Section E","2006","62","5","m989","m991","10.1107/S1600536806011950","","","0.71073","MoKα","","0.0402","0.0277","","","0.0675","0.0703","","","","","","1.279","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208911","10.582","0.0007","12.5388","0.0009","19.425","0.0013","90","","90","","90","","2577.4","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-Naphthyliminomethyl)phenol","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","HK2028","Cheng, Kui; Zhu, Hai-Liang; Liu, Jing-Jing; Gao, Meng; Zeng, Jun-He","2-(1-Naphthyliminomethyl)phenol","Acta Crystallographica Section E","2006","62","5","o1932","o1933","10.1107/S1600536806013341","","","0.71073","MoKα","","0.0564","0.0459","","","0.1234","0.1303","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208919","8.6366","0.0005","18.1462","0.0012","14.3885","0.0011","90","","90","","90","","2255","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(2-pyridylamino)phthalide","3-(2-pyridylamino)isobenzofuran-1(3H)-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","IS2028","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2079","o2080","10.1107/S1600536806014747","","","0.71073","MoKα","","0.1158","0.0622","","","0.1124","0.1316","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208925","13.7859","0.0002","6.7632","0.0001","21.6642","0.0003","90","","90","","90","","2019.9","0.05","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dierbium(III)]","","- C20 H12 Er2 O12 -","- C20 H12 Er2 O12 -","- C80 H48 Er8 O48 -","4","0.5","JH2011","Qin He; Jun-Feng Zi; Fu-Juan Zhang","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dierbium(III)]","Acta Crystallographica Section E","2006","62","5","m997","m998","10.1107/S160053680601213X","","","0.71073","MoKα","","0.0201","0.0162","","","0.0439","0.0451","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208947","15.2947","0.0012","11.7932","0.0009","17.9949","0.0014","90","","90","","90","","3245.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","O-vanillin copper","Aquabis(2-formyl-6-methoxyphenolato)copper(II)","","- C16 H16 Cu O7 -","- C16 H16 Cu O7 -","- C128 H128 Cu8 O56 -","8","1","LH2043","Lin, Zhi-Dong; Zeng, Wen","Aquabis(2-formyl-6-methoxyphenolato)copper(II)","Acta Crystallographica Section E","2006","62","5","m1074","m1076","10.1107/S1600536806013559","","","0.71073","MoKα","","0.0467","0.0381","","","0.1043","0.1088","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208980","14.2781","0.001","16.1865","0.0012","20.1828","0.0015","90","","90","","90","","4664.5","0.6","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (E,E)-(2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1H-pyrazol-4- ylmethylene]amino}oxy)methyl]phenyl)-2-(methoxyimino)acetate","","- C23 H23 F N4 O5 -","- C23 H23 F N4 O5 -","- C184 H184 F8 N32 O40 -","8","1","RZ2018","Yan Li; Xiang-Ping Yang; Hong-Quan Zhang; Xiang-Gao Meng; Zhao-Jie Liu","Methyl (<i>E</i>,<i>E</i>)-{2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1<i>H</i>-pyrazol-4-ylmethylene]amino}oxy)methyl]phenyl}-2-(methoxyimino)acetate","Acta Crystallographica Section E","2006","62","5","o2027","o2029","10.1107/S1600536806014292","","","0.71073","MoKα","","0.1102","0.0586","","","0.1425","0.1723","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208992","7.568","0.001","13.306","0.001","30.28","0.002","90","","90","","90","","3049.2","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C120 H136 Cu8 N40 O8 -","8","1","SJ2024","Zhu, Qi-Yong; Wei, Yi-Jun; Wang, Feng-Wu","Azido{1-[2-(dimethylamino)ethyliminomethyl]naphthalenolato}copper(II)","Acta Crystallographica Section E","2006","62","5","m983","m985","10.1107/S1600536806010555","","","0.71073","MoKα","","0.0569","0.0485","","","0.132","0.139","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208995","18.8275","0.001","8.9784","0.0005","20.9951","0.0011","90","","90","","90","","3549","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Benzylidene-2-diethylamino-1-phenyl-1H-imidazol-5(4H)-one","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C160 H168 N24 O8 -","8","1","SJ2030","Gui-Hua Li; Yang-Gen Hu","4-Benzylidene-2-diethylamino-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1691","o1693","10.1107/S1600536806011548","","","0.71073","MoKα","","0.0829","0.0558","","","0.1551","0.1686","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209070","15.533","0.006","11.414","0.005","24.006","0.01","90","","90","","90","","4256","3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl 5,10-dihydro-6-iodo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a- tetraazazbenz[<i>f</i>]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C20 H21 I N4 O7 -","- C20 H21 I N4 O7 -","- C160 H168 I8 N32 O56 -","8","1","AT2031","Yun-Feng Chen; Mei Xu; An-Xin Wu","Diethyl 5,10-dihydro-6-iodo-4,11-dioxo-<i>cis</i>-1<i>H</i>,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2006","62","6","o2254","o2255","10.1107/S1600536806016011","","","0.71073","MoKα","","0.1024","0.0592","","","0.1319","0.1481","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209109","10.6198","0.0011","12.4497","0.0012","20.141","0.002","90","","90","","90","","2662.9","0.5","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dimethyl-2-(p-tolylsulfonyl)butyric acid","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C104 H144 O32 S8 -","8","1","BT2083","Jones, Peter G.; Łysiak, Violetta; Jarzembek, Krystyna; Kuś, Piotr","2,3-Dimethyl-2-(<i>p</i>-tolylsulfonyl)butyric acid","Acta Crystallographica Section E","2006","62","6","o2427","o2428","10.1107/S1600536806017879","","","0.71073","MoKα","","0.0485","0.0366","","","0.0958","0.1045","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209118","18.23","0.003","9.4065","0.0016","19.578","0.003","90","","90","","90","","3357.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[2-(1H-benzimidazol-1-yl)ethyl] ether monohydrate","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C144 H160 N32 O16 -","8","1","CF2024","Cai-Feng Ding; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang","Bis[2-(1<i>H</i>-benzimidazol-1-yl)ethyl] ether monohydrate","Acta Crystallographica Section E","2006","62","6","o2531","o2532","10.1107/S1600536806019088","","","0.71073","MoKα","","0.0549","0.0385","","","0.091","0.1006","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209150","12.175","0.002","16.548","0.003","17.111","0.003","90","","90","","90","","3447.4","1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile","","- C23 H16 N2 -","- C23 H16 N2 -","- C184 H128 N16 -","8","1","DN2029","Qian, Bao-Hua; Liu, Wei-Wei; Lu, Lu-De; Hu, Hong-Weng","(<i>E</i>)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile","Acta Crystallographica Section E","2006","62","6","o2363","o2364","10.1107/S1600536806017466","","","0.71073","MoKα","","0.152","0.0405","","","0.0863","0.1221","","","","","","0.967","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209171","26.4265","0.0005","24.8578","0.0005","28.1714","0.0007","90","","90","","90","","18505.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","di-μ~4~-oxo-tetraμ~3~-pivalato-hexa-μ~2~-pivalato-tetrakis(pivalic acid)dimanganese(III)tetramanganese(II)","","- C70 H130 Mn6 O30 -","- C70 H130 Mn6 O30 -","- C560 H1040 Mn48 O240 -","8","1","GK2005","Poyraz, Mehmet; Sarı, Musa; Cevik, Sabri; Büyükgüngör, Orhan","Redetermination of the mixed-valence hexanuclear manganese oxide complex di-μ~4~-oxo-tetra-μ~3~-pivalato-hexa-μ~2~-pivalato-tetrakis(pivalic acid)dimanganese(III)tetramanganese(II) at 100 K","Acta Crystallographica Section E","2006","62","6","m1442","m1444","10.1107/S1600536806019155","","","0.71073","MoKα","","0.1052","0.062","","","0.1803","0.1639","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209180","7.145","0.0012","22.663","0.004","6.9532","0.0011","90","","90","","90","","1125.9","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(biguanido-k^2^N,N')palladium(II) dihydrate","","- C4 H16 N10 O2 Pd -","- C4 H16 N10 O2 Pd -","- C16 H64 N40 O8 Pd4 -","4","0.5","HB2042","Su, Ying-Lan; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section E","2006","62","6","m1188","m1189","10.1107/S1600536806015327","","","0.71073","MoKα","","0.0498","0.0384","","","0.0793","0.0836","","","","","","1.114","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209202","11.417","0.0005","20.8796","0.0017","27.6747","0.0013","90","","90","","90","","6597.2","0.7","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro{P,P'-[3,3'-oxybis(m- phenylenemethylene)]bis(diphenylphosphine)}palladium(II)","","- C38 H32 Cl2 O P2 Pd -","- C38 H32 Cl2 O P2 Pd -","- C304 H256 Cl16 O8 P16 Pd8 -","8","1","HG2034","Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg","<i>trans</i>-Dichloro{<i>P</i>,<i>P</i>'-[3,3'-oxybis(<i>m</i>-phenylenemethylene)]bis(diphenylphosphine)}palladium(II)","Acta Crystallographica Section E","2006","62","6","m1270","m1271","10.1107/S1600536806016710","","","0.71073","MoKα","","0.0859","0.0369","","","0.0643","0.0744","","","","","","0.822","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209204","21.924","0.004","13.52","0.002","23.743","0.004","90","","90","","90","","7038","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-N-cyclohexyl-N-(2- thienylmethylene)amido]tetrairon","","- C32 H28 Fe4 N2 O10 S2 -","- C32 H28 Fe4 N2 O10 S2 -","- C256 H224 Fe32 N16 O80 S16 -","8","1","HG2037","Imhof, Wolfgang","Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-<i>N</i>-cyclohexyl-<i>N</i>-(2-thienylmethylene)amine]tetrairon(0)","Acta Crystallographica Section E","2006","62","6","m1350","m1352","10.1107/S1600536806018058","","","0.71073","MoKα","","0.162","0.0664","","","0.107","0.136","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209207","6.506","0.0013","11.344","0.002","14.587","0.003","90","","90","","90","","1076.6","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N'-1,4-Piperazinediacetic acid","2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate","","- C8 H18 N2 O6 -","- C8 H18 N2 O6 -","- C32 H72 N8 O24 -","4","0.5","HK2023","Shen, Li; Wang, Feng-Wu; Cheng, Ai-Bin; Yang, Song","2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate","Acta Crystallographica Section E","2006","62","6","o2242","o2244","10.1107/S1600536806013572","","","0.71073","MoKα","","0.0655","0.0428","","","0.0953","0.1069","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209229","7.8798","0.001","16.225","0.002","16.894","0.002","90","","90","","90","","2159.9","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-Dibromo-4,5-bis(bromomethyl)benzene","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C64 H48 Br32 -","8","1","IS2041","Neng-Fang She; Qin Zhao; Guo-Dong Yin; An-Xin Wu","1,2-Dibromo-4,5-bis(bromomethyl)benzene","Acta Crystallographica Section E","2006","62","6","o2523","o2524","10.1107/S1600536806018514","","","0.71073","MoKα","","0.089","0.042","","","0.0964","0.1065","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209352","8.3923","0.0011","9.457","0.0013","15.023","0.002","90","","90","","90","","1192.3","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ~3~-iminodiacetato-manganese(II)]","","- C4 H5 Mn N O4 -","- C4 H5 Mn N O4 -","- C32 H40 Mn8 N8 O32 -","8","1","XU2029","Wang, Hua; Wang, Zhen; Han, Jin-Yu","Poly[μ~3~-iminodiacetato-manganese(II)]","Acta Crystallographica Section E","2006","62","6","m1344","m1345","10.1107/S160053680601590X","","","0.71073","MoKα","","0.028","0.021","","","0.051","0.053","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209375","8.0455","0.0006","11.7674","0.0009","39.887","0.003","90","","90","","90","","3776.3","0.5","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-d]pyrimidin- 4(3H)-one","","- C19 H20 Cl N3 O2 S -","- C19 H20 Cl N3 O2 S -","- C152 H160 Cl8 N24 O16 S8 -","8","1","AT2037","Zheng-Dong Fang; Ming-Wu Ding","3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2869","o2871","10.1107/S1600536806020897","","","0.71073","MoKα","","0.0685","0.0562","","","0.1413","0.1525","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209415","16.933","0.004","10.918","0.003","28.116","0.006","90","","90","","90","","5198","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(2-sulfonatobenzoato-κ^2^O:O')zinc(II)]- μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N'] N,N-dimethylformamide solvate]","","- C23 H29 N3 O8 S Zn -","- C23 H29 N3 O8 S Zn -","- C184 H232 N24 O64 S8 Zn8 -","8","1","BT2108","Hong-Ping Xiao","<i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]-μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate]","Acta Crystallographica Section E","2006","62","7","m1611","m1612","10.1107/S1600536806022781","","","0.71073","MoKα","","0.079","0.0722","","","0.1381","0.1409","","","","","","1.349","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209448","9.4664","0.0018","9.5316","0.0017","23.823","0.005","90","","90","","90","","2149.5","0.7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1H)-one","","- C11 H11 F N2 O S -","- C11 H11 F N2 O S -","- C88 H88 F8 N16 O8 S8 -","8","1","CI2070","Chen-Xia Yu; Chang-Sheng Yao; Shu-Jiang Tu; Xiang-Shan Wang; Hong Jiang","3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2981","o2982","10.1107/S1600536806022422","","","0.71073","MoKα","","0.0744","0.0384","","","0.0865","0.1033","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209463","15.7845","0.0008","10.6592","0.0014","16.872","0.002","90","","90","","90","","2838.7","0.5","299","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide","","- C13 H21 Br N2 O -","- C13 H21 Br N2 O -","- C104 H168 Br8 N16 O8 -","8","1","CV2066","Pavel Tuzina; Andreas Fischer; Peter Somfai","<i>N</i>-Benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide","Acta Crystallographica Section E","2006","62","7","o2971","o2972","10.1107/S1600536806023026","","","0.71073","MoKα","","0.1334","0.0582","","","0.0863","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209474","8.3942","0.0007","22.426","0.002","15.855","0.002","90","","90","","90","","2984.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Acetyl-2-methoxyphenoxy)benzene-1,2-dinitrile","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","DN2041","Kartal, Aslı; Albayrak, Çig̃dem; Ağar, Ayşen; Ocak Ískeleli, Nazan; Erdönmez, Ahmet","4-(4-Acetyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2006","62","7","o2720","o2721","10.1107/S1600536806020204","","","0.71073","MoKα","","0.2181","0.0741","","","0.1058","0.1431","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209488","9.5251","0.0005","15.4476","0.0008","19.3226","0.0011","90","","90","","90","","2843.1","0.3","187","2","187","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyclothiazide","6-chloro-3-chloromethyl-3,4-dihydro-2-methyl-7-sulfamoyl-1,2,4-benzo- thiadiazine 1,1-dioxide","","- C9 H11 Cl2 N3 O4 S2 -","- C9 H11 Cl2 N3 O4 S2 -","- C72 H88 Cl16 N24 O32 S16 -","8","1","EZ2002","Zhou, Hua; Hu, Ning-Hai; Li, Zhi-Gang; Dou, Yan-Li; Xu, Jing-Wei","Methyclothiazide: a hydrogen-bonded layer structure","Acta Crystallographica Section E","2006","62","7","o3009","o3010","10.1107/S1600536806016977","","","0.71073","MoKα","","0.037","0.035","","","0.091","0.092","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209489","16.126","0.004","12.852","0.004","23.725","0.006","90","","90","","90","","4917","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1'-Methyl-4'-(1-naphthyl)-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''- thiazolo[3,2-a][1,3]benzimidazole-2(3H),3''(2''H)-dione","","- C30 H22 N4 O2 S -","- C30 H22 N4 O2 S -","- C240 H176 N32 O16 S8 -","8","1","EZ2005","Xiu-Ling Zhang; Ai-Zhen Liu; Mei-Fang Jin","1'-Methyl-4'-(1-naphthyl)-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-thiazolo[3,2-<i>a</i>]benzimidazole-2(3<i>H</i>),3''(2''<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","7","o2961","o2962","10.1107/S1600536806022847","","","0.71073","MoKα","","0.086","0.043","","","","0.114","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209492","11.4464","0.0011","7.5202","0.0007","28.277","0.003","90","","90","","90","","2434.1","0.4","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(1,3-benzodioxol-5-yl)-1-phenyl-2-propen-1-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","EZ2010","Xu-Hong Yang; Ming-Hu Wu; Wei-Dong Zou; Chuan Li","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one","Acta Crystallographica Section E","2006","62","7","o3117","o3118","10.1107/S1600536806024597","","","0.71073","MoKα","","0.0669","0.0473","","","0.1025","0.1099","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209523","8.2388","0.0007","19.9018","0.0017","25.697","0.002","90","","90","","90","","4213.5","0.6","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1H-imidazol-5(4H)-one","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C184 H216 N24 O16 -","8","1","HB2089","Shao-Fa Sun","2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3107","o3108","10.1107/S1600536806024457","","","0.71073","MoKα","","0.0925","0.0585","","","0.1496","0.1641","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209554","10.817","0.002","13.679","0.003","29.37","0.006","90","","90","","90","","4345.8","1.5","315","2","313","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-Dichloro-3,7-diphenylbenzo[1,2-c;4,5-c']difuran-1,5(3H,7H)-dione cyclohexane 0.25-solvate","","- C23.5 H15 Cl4 O8 -","- C23.5 H15 Cl2 O4 -","- C188 H120 Cl16 O32 -","8","1","HK2067","Shan Liu; Jing-Ning Liu; Guang-Liang Song; Ya-Ming Wu; Hong-Jun Zhu","3,7-Dichloro-3,7-diphenylbenzo[1,2-<i>c</i>;4,5-<i>c</i>']difuran-1,5(3<i>H</i>,7<i>H</i>)-dione cyclohexane 0.25-solvate","Acta Crystallographica Section E","2006","62","7","o3099","o3100","10.1107/S160053680602410X","","","0.71073","MoKα","","0.1731","0.0864","","","0.1968","0.2293","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209613","16.878","0.004","16.488","0.004","24.107","0.005","90","","90","","90","","6709","3","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{2-[1-(N-Benzyl-N-methylamino)ethyl]ferrocenyl- κ^2^N,C^1^}chloro(triphenylphosphine-κP)palladium(II)","","- C38 H37 Cl Fe N P Pd -","- C38 H37 Cl Fe N P Pd -","- C304 H296 Cl8 Fe8 N8 P8 Pd8 -","8","1","OB2021","Hong-Xing Wang; Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao","{2-[1-(<i>N</i>-Benzyl-<i>N</i>-methylamino)ethyl]ferrocenyl- κ^2^<i>N</i>,<i>C</i>^1^}chloro(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","7","m1485","m1486","10.1107/S1600536806020307","","","0.71073","MoKα","","0.035","0.0242","","","0.0565","0.0606","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209634","11.121","0.002","7.242","0.0014","32.691","0.007","90","","90","","90","","2632.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{1-[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]ethan-2-yl}-1H-1,2,4-triazole","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C96 H88 Cl16 N24 O16 -","8","1","RZ2037","Xie, Xue-Qun; Yang, Chun-Long; Luo, Jin-Xiang; Li, Qian-Jin","1-{[1-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","7","o2858","o2859","10.1107/S1600536806021386","","","0.71073","MoKα","","0.0883","0.0572","","","0.0981","0.102","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209641","11.668","0.004","20.397","0.006","20.804","0.006","90","","90","","90","","4951","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C216 H216 N24 O16 S8 -","8","1","RZ2045","Shuwen Wang; Wei-Si Guo; Li-Rong Wen; Ming Li","Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","7","o2856","o2857","10.1107/S1600536806021933","","","0.71073","MoKα","","0.1254","0.0471","","","0.1007","0.1432","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209643","6.7815","0.0016","9.348","0.002","16.509","0.004","90","","90","","90","","1046.6","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[diaquadisodium(di-μ-malonato)cobalt(II)]","","- C6 H8 Co Na2 O10 -","- C6 H8 Co Na2 O10 -","- C24 H32 Co4 Na8 O40 -","4","0.5","SA2007","Da-Qi Wang","Poly[diaqua-di-μ-malonato-cobalt(II)disodium(I)]","Acta Crystallographica Section E","2006","62","7","m1530","m1532","10.1107/S1600536806021416","","","0.71073","MoKα","","0.0464","0.0276","","","0.0752","0.0913","","","","","","1.001","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209644","10.093","0.002","8.808","0.0019","35.159","0.008","90","","90","","90","","3125.6","1.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N-methyl-N-(4-chlorophenyl)amino]methylferrocene","","- C18 H18 Cl Fe N -","- C18 H18 Cl Fe N -","- C144 H144 Cl8 Fe8 N8 -","8","1","SA2008","Wang, Hong-Xing; Gao, Ren-Qing; Wu, Hong-Fei; Geng, Feng-Ying; Yang, Xiao-Li","{[<i>N</i>-(4-Chlorophenyl)-<i>N</i>-methylamino]methyl}ferrocene","Acta Crystallographica Section E","2006","62","7","m1494","m1495","10.1107/S1600536806021155","","","0.71073","MoKα","","0.084","0.0471","","","0.1199","0.1471","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209649","16.7367","0.0005","11.3713","0.0002","19.9214","0.0005","90","","90","","90","","3791.4","0.16","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dichlorotris(pentafluorophenyl)phosphorane","","- C18 Cl2 F15 P -","- C18 Cl2 F15 P -","- C144 Cl16 F120 P8 -","8","1","SG2035","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","An orthorhombic polymorph of dichlorotris(pentafluorophenyl)phosphorane","Acta Crystallographica Section E","2006","62","7","o2872","o2874","10.1107/S1600536806021751","","","0.71073","MoKα","","0.0593","0.0388","","","0.09","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209696","14.291","0.001","8.699","0.001","17.529","0.001","90","","90","","90","","2179.2","0.3","296","","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-(2-thiazolylamino)phthalide","3-(thiazol-2-ylamino)isobenzofuran-1(3H)-one","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C88 H64 N16 O16 S8 -","8","1","WW2023","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(Thiazol-2-ylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2866","o2868","10.1107/S1600536806022574","","","0.71073","MoKα","","0.058","0.04","","","0.0986","0.1061","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209742","6.7916","0.001","12.694","0.009","15.93","0.007","90","","90","","90","","1373.4","1.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethylenediammonium fluorotrioxophosphate","","- C2 H10 F N2 O3 P -","- C2 H10 F N2 O3 P -","- C16 H80 F8 N16 O24 P8 -","8","1","BH2026","Fábry, Jan; Dušek, Michal; Krupková, Radmila; Vaněk, Přemysl","Ethylenediammonium fluorotrioxophosphate at 150 K","Acta Crystallographica Section E","2006","62","8","o3217","o3219","10.1107/S1600536806025396","","","0.71069","MoKα","","0.0312","0.0246","","","0.0746","0.0758","","","","","","1.41","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209748","13.3482","0.0009","7.6922","0.0005","25.3822","0.0017","90","","90","","90","","2606.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","BI2018","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang; Sheng, Liang-Quan","(E)-3-(4-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3324","o3325","10.1107/S1600536806022926","","","0.71073","MoKα","","0.1235","0.0528","","","0.1119","0.1388","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209773","16.7083","0.0008","10.916","0.0005","21.0628","0.001","90","","90","","90","","3841.6","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[bis(acetonitrile-κN)bis{μ-2-[(2- carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]","","- C30 H36 Cl2 Cu2 N6 O16 -","- C30 H36 Cl2 Cu2 N6 O16 -","- C120 H144 Cl8 Cu8 N24 O64 -","4","0.5","BT2146","Musie, Ghezai T.; Li, Xiaobao; Klausmeyer, Kevin K.","Poly[[bis(acetonitrile-κ<i>N</i>)bis{μ-2-[(2-carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]","Acta Crystallographica Section E","2006","62","8","m1966","m1968","10.1107/S160053680602839X","","","0.71073","MoKα","","0.052","0.0318","","","0.073","0.0798","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209795","13.226","0.002","13.594","0.002","30.205","0.005","90","","90","","90","","5430.7","1.5","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Cl N2 O P2 Pd -","- C29 H25 Cl N2 O P2 Pd -","- C232 H200 Cl8 N16 O8 P16 Pd8 -","8","1","CI2093","Li, Peng; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Zhang, Zheng-Zhi","Chloro[<i>N</i>-(diphenylphosphino)pyridin-2-amine-κ^2^<i>N</i>^1^,<i>P</i>](diphenylphosphoryl)palladium(II)","Acta Crystallographica Section E","2006","62","8","m1825","m1826","10.1107/S1600536806026055","","","0.71073","MoKα","","0.142","0.057","","","0.0949","0.1234","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209881","10.2268","0.0001","16.7196","0.0002","18.2311","0.0002","90","","90","","90","","3117.3","0.06","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-butanediamminium dihydrogendecavanadate","","- C8 H30 N4 O28 V10 -","- C8 H30 N4 O28 V10 -","- C32 H120 N16 O112 V40 -","4","0.5","HK2073","Rakovský, Erik; Gyepes, Robert","Butane-1,4-diammonium dihydrogendecavanadate(V)","Acta Crystallographica Section E","2006","62","8","m1820","m1822","10.1107/S1600536806026249","","","0.7107","MoKα","","0.0236","0.0212","","","0.0541","0.0563","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209894","13.617","0.002","13.883","0.002","17.501","0.003","90","","90","","90","","3308.5","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan- 2-olato}-κ^8^N^2^,O:O,N^2'^-bis[(acetato-κ^2^O,O')nickel(II)]","","- C30 H28 F4 N12 Ni2 O6 -","- C30 H28 F4 N12 Ni2 O6 -","- C120 H112 F16 N48 Ni8 O24 -","4","0.5","HY2009","Yun Gong; Wang Tang; Wen-Bin Hou; Zhong-Yong Zha; Chang-Wen Hu","Bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-olato]-κ^8^<i>N</i>^2^,<i>O</i>:<i>O</i>,<i>N</i>^2'^-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')nickel(II)]","Acta Crystallographica Section E","2006","62","8","m1827","m1829","10.1107/S1600536806026584","","","0.71073","MoKα","","0.0687","0.0349","","","0.0751","0.0978","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209907","9.574","0.004","11.592","0.005","16.06","0.005","90","","90","","90","","1782.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(azaferrocene)dichloropalladium(II)","","- C18 H18 Cl2 Fe2 N2 Pd -","- C18 H18 Cl2 Fe2 N2 Pd -","- C72 H72 Cl8 Fe8 N8 Pd4 -","4","0.5","JH2024","Lucjan B. Jerzykiewicz; Konrad Kowalski; Janusz Zakrzewski","<i>trans</i>-Bis(azaferrocene)dichloropalladium(II)","Acta Crystallographica Section E","2006","62","8","m1832","m1834","10.1107/S1600536806026729","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0867","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209911","7.898","0.002","11.91","0.005","35.17","0.016","90","","90","","90","","3308","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-5-tert-Butyl-1-cinnamoylthiobiuret","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C120 H152 N24 O16 S8 -","8","1","KP2028","Xue, Si-Jia; Chai, An; Guo, Yan-Lin; Wang, Qing-Dong","(<i>E</i>)-5-<i>tert</i>-Butyl-1-cinnamoylthiobiuret","Acta Crystallographica Section E","2006","62","8","o3157","o3158","10.1107/S160053680602280X","","","0.71073","MoKα","","0.0951","0.0756","","","0.1628","0.1719","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210012","11.113","0.003","9.084","0.003","16.059","0.004","90","","90","","90","","1621.2","0.8","153.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Amino-5-methoxycarbonyltropone","Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","TK2066","Kubo, Kanji; Matsumoto, Taisuke; Hashimoto, Masashi; Mori, Akira","Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate","Acta Crystallographica Section E","2006","62","8","o3584","o3586","10.1107/S1600536806028807","","","1.54187","CuKα","","","0.041","","","","0.109","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210036","10.565","0.007","8.274","0.006","41.17","0.03","90","","90","","90","","3599","4","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole","","- C22 H18 F N O2 -","- C22 H18 F N O2 -","- C176 H144 F8 N8 O16 -","8","1","XU2092","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.","5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2006","62","8","o3547","o3548","10.1107/S1600536806028406","","","0.71073","MoKα","","0.152","0.1","","","0.192","0.219","","","","","","1.322","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210080","14.362","0.005","8.22","0.003","14.36","0.002","90","","90","","90","","1695.3","0.9","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4,6-dimethyl-3H-isobenzofuran-1-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","1","BH2039","Wang, Ruo-Yu; Fang, Mei-Juan; Huang, Yao-Jian; Zheng, Zhong-Hui; Shen, Yue-Mao","7-Hydroxy-4,6-dimethyl-3<i>H</i>-isobenzofuran-1-one","Acta Crystallographica Section E","2006","62","9","o4172","o4173","10.1107/S1600536806033939","","","0.71073","MoKα","","0.0671","0.0606","","","0.1561","0.1612","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210109","10.1723","0.0006","10.3446","0.0009","17.6278","0.001","90","","90","","90","","1854.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","","- C8 H9 Br O3 S -","- C8 H9 Br O3 S -","- C64 H72 Br8 O24 S8 -","8","1","BT2156","Koşar, Başak; Göktürk, Ersen; Demircan, Aydın; Büyükgüngör, Orhan","5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","Acta Crystallographica Section E","2006","62","9","o3868","o3869","10.1107/S160053680603090X","","","0.71073","MoKα","","0.0581","0.0354","","","0.062","0.0691","","","","","","0.952","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210161","14.866","0.003","10.499","0.002","24.121","0.005","90","","90","","90","","3764.8","1.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-1,3-Dimethyl-5-p-tolyloxy-1H-pyrazole-4-carbaldehyde O-(6-chloropyridazin-3-yl)oxime","","- C18 H18 Cl N5 O2 -","- C18 H18 Cl N5 O2 -","- C144 H144 Cl8 N40 O16 -","8","1","CI2132","Fang-Zhong Hu; Yong-Qiang Chang; Yong-Quan Zhu; XiaO Miao Zou; Hua-Zheng Yang","(<i>E</i>)-1,3-Dimethyl-5-<i>p</i>-tolyloxy-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-(6-chloropyridazin-3-yl)oxime","Acta Crystallographica Section E","2006","62","9","o3676","o3677","10.1107/S160053680602993X","","","0.71073","MoKα","","0.1378","0.0554","","","0.1368","0.1867","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210178","9.4","0.002","10.739","0.002","31.821","0.007","90","","90","","90","","3212.2","1.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Dimethoxyphosphoryl)(phenyl)methyl benzoate","","- C16 H17 O5 P -","- C16 H17 O5 P -","- C128 H136 O40 P8 -","8","1","CS2009","Fang, Hua; Zeng, Zhi-Ping; Fang, Mei-Juan; Ji, Tao; Zhao, Yu-Fen","(Dimethoxyphosphoryl)(phenyl)methyl benzoate","Acta Crystallographica Section E","2006","62","9","o3797","o3798","10.1107/S1600536806028492","","","0.71073","MoKα","","0.0774","0.0602","","","0.1642","0.1784","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210194","7.6626","0.0001","18.2969","0.0003","19.4176","0.0003","90","","90","","90","","2722.38","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl N-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate","","- C12 H12 N2 S3 -","- C12 H12 N2 S3 -","- C96 H96 N16 S24 -","8","1","CV2094","Sema Öztürk Yıldırım; Mehmet Akkurt; Murat Koca; Memet Şekerci; H.-K. Fun","Dimethyl <i>N</i>-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate","Acta Crystallographica Section E","2006","62","9","o3902","o3903","10.1107/S1600536806031382","","","0.71069","MoKα","","0.0887","0.0416","","","0.0897","0.1064","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210208","11.158","0.004","7.674","0.003","30.95","0.012","90","","90","","90","","2650.1","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']nickel(II) monohydrate","","- C10 H15 N Ni O8 -","- C10 H15 N Ni O8 -","- C80 H120 N8 Ni8 O64 -","8","1","EZ2018","Xu-Hui Liu; Jin-Hua Cai; Yi-Min Jiang; Ying-Heng Huang; Xiu-Ju Yin","Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","9","m2119","m2121","10.1107/S1600536806030698","","","0.71073","MoKα","","0.053","0.038","","","0.087","0.092","","","","","","1.01","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210214","8.2673","0.0009","9.0198","0.0007","26.565","0.002","90","","90","","90","","1980.9","0.3","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Acetophenonaminoguanidine","2-(1-Phenylethylideneamino)guanidine","","- C9 H12 N4 -","- C9 H12 N4 -","- C72 H96 N32 -","8","1","EZ2024","Demir, Sibel; Dinçer, Muharrem; Sarıpınar, Emin","2-(1-Phenylethylideneamino)guanidine","Acta Crystallographica Section E","2006","62","9","o4194","o4195","10.1107/S160053680603399X","","","0.71073","MoKα","","0.089","0.049","","","0.107","0.125","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210222","8.4312","0.0005","14.1135","0.0007","14.7463","0.0007","90","","90","","90","","1754.72","0.16","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichlorotetrakis(dimethylsulfide)ruthenium(II)","","- C8 H24 Cl2 Ru S4 -","- C8 H24 Cl2 Ru S4 -","- C32 H96 Cl8 Ru4 S16 -","4","0.5","FI2006","Abbasi, Alireza; Azizi, Fereshteh; Eriksson, Lars; Sandström, Magnus","<i>trans</i>-Dichlorotetrakis(dimethyl sulfide)ruthenium(II)","Acta Crystallographica Section E","2006","62","9","m2295","m2296","10.1107/S1600536806032867","","","0.71073","MoKα","","0.0495","0.0383","","","0.0796","0.0852","","","","","","1.123","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210252","8.1865","0.0013","20.9285","0.0016","28.304","0.002","90","","90","","90","","4849.4","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 As N5 O10 -","- C20 H26 As N5 O10 -","- C160 H208 As8 N40 O80 -","8","1","HB2119","Tian-Tian Pan; Bing-Xin Liu; Duan-Jun Xu","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium 4-hydroxy-3-nitrophenyl-arsonate monohydrate","Acta Crystallographica Section E","2006","62","9","m2198","m2199","10.1107/S1600536806032090","","","0.71073","MoKα","","0.066","0.057","","","0.115","0.119","","","","","","1.212","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2210274","7.119","0.002","16.922","0.004","20.671","0.005","90","","90","","90","","2490.2","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C80 H112 N32 O48 -","8","1","HG2094","Zhao, Li-Fang","2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate","Acta Crystallographica Section E","2006","62","9","o3970","o3971","10.1107/S1600536806032594","","","0.71073","MoKα","","0.1365","0.0707","","","0.1389","0.1643","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210303","10.269","0.002","11.194","0.002","19.006","0.004","90","","90","","90","","2184.8","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","chromene","6-Acetyl-5-hydroxy-2,2-dimethyl-2H-chromene","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","JH2031","Rodríguez-López, Verónica; Moreno-Escobar, J. Armando; Ávila-Torres, Olga; Tlahuext, Hugo","6-Acetyl-5-hydroxy-2,2-dimethyl-2<i>H</i>-chromene","Acta Crystallographica Section E","2006","62","9","o3616","o3617","10.1107/S1600536806028947","","","0.71073","MoKα","","0.0645","0.058","","","0.1128","0.1155","","","","","","1.23","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210304","12.0026","0.0015","14.5838","0.0017","18.364","0.002","90","","90","","90","","3214.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4RS,6SR)2-amino-6-phenyl-4-p-tolyl-5,6-dihydro-4H-1,3-thiazin-3-ium chloride","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C136 H152 Cl8 N16 S8 -","8","1","JH2033","Jie-Ping Wan; Dan-Hua Wang; Hui Xu; Cui-Rong Sun","(4<i>RS</i>,6<i>SR</i>)-2-Amino-6-phenyl-4-<i>p</i>-tolyl-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section E","2006","62","9","o3667","o3669","10.1107/S1600536806029485","","","0.71073","MoKα","","0.0799","0.0437","","","0.1005","0.1195","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210314","13.6266","0.0004","10.3234","0.0003","20.6939","0.0006","90","","90","","90","","2911.07","0.15","100","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile] tricarbonylchromium(0)","","- C17 H10 Cr N2 O4 -","- C17 H10 Cr N2 O4 -","- C136 H80 Cr8 N16 O32 -","8","1","KP2047","Duke, III, Charles B.; Ross, II, Charles R.; Burkey, Theodore J.","[η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile]tricarbonylchromium(0)","Acta Crystallographica Section E","2006","62","9","m2086","m2088","10.1107/S1600536806029904","","","1.54178","CuKα","","","0.0413","","","","0.1202","","","","","","1.087","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210318","11.1234","0.0005","7.7504","0.0004","28.4607","0.0011","90","","90","","90","","2453.62","0.19","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(1,3-Benzodioxol-5-yl)-1-phenylprop-2-en-1-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","LH2140","Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Bindya, S.; Bolte, Michael","3-(1,3-Benzodioxol-5-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3629","o3630","10.1107/S160053680602767X","","","0.71073","MoKα","","0.0372","0.0345","","","0.0901","0.0919","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210347","13.61","0.0002","21.106","0.0003","17.573","0.0003","90","","90","","90","","5047.89","0.13","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diacetonitrile-μ~2~-acetato-μ~2~-N,N'-bis(2-hydroxyphenyl)pyridine- 2,6-dicarboxamide)potassium(I)]","","- C25 H24 K N5 O6 -","- C25 H24 K N5 O6 -","- C200 H192 K8 N40 O48 -","8","1","NG2075","Pérez, Yolanda; Johnson, Andrew L.; Raithby, Paul R.","Poly[μ~2~-acetato-diacetonitrile[μ~2~-<i>N</i>,<i>N</i>'-bis(2-hydroxyphenyl)pyridine-2,6-dicarboxamide]potassium(I)]","Acta Crystallographica Section E","2006","62","9","m2359","m2360","10.1107/S1600536806033678","","","0.71073","MoKα","","","0.0622","","","","0.1825","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210372","11.4895","0.0008","15.7158","0.0011","22.1792","0.0016","90","","90","","90","","4004.8","0.5","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C~19~H~16~Cl~2~NO~5~P","Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate","","- C19 H16 Cl2 N O5 P -","- C19 H16 Cl2 N O5 P -","- C152 H128 Cl16 N8 O40 P8 -","8","1","SJ2071","Liang, Ying; He, Hong-Wu; Wang, Ya-Zhou; Chen, Ting","Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate","Acta Crystallographica Section E","2006","62","9","o3652","o3654","10.1107/S1600536806019039","","","0.71073","MoKα","","0.0722","0.0515","","","0.1193","0.1305","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210410","9.475","0.004","9.844","0.004","36.821","0.015","90","","90","","90","","3434","2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(Pyridin-2)cyclopropanecarboxamide","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C144 H160 N32 O16 -","16","2","WN2049","Li Tian; Bin Liu","<i>N</i>-(2-Pyridyl)cyclopropanecarboxamide","Acta Crystallographica Section E","2006","62","9","o4183","o4185","10.1107/S1600536806032971","","","0.71073","MoKα","","0.1079","0.0446","","","0.0972","0.1139","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210495","7.3423","0.0016","19.487","0.004","20.022","0.004","90","","90","","90","","2864.7","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzenesulfonyl-5-chloro-2,4-dimethoxybenzene","","- C14 H13 Cl O4 S -","- C14 H13 Cl O4 S -","- C112 H104 Cl8 O32 S8 -","8","1","BH2042","Wu, Ya","1-Benzenesulfonyl-5-chloro-2,4-dimethoxybenzene","Acta Crystallographica Section E","2006","62","10","o4272","o4273","10.1107/S1600536806034647","","","0.71073","MoKα","","0.0819","0.0398","","","0.0883","0.1066","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210533","11.232","0.004","7.759","0.003","30.973","0.011","90","","90","","90","","2699.3","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']zinc(II) monohydrate","","- C10 H15 N O8 Zn -","- C10 H15 N O8 Zn -","- C80 H120 N8 O64 Zn8 -","8","1","BX2026","Jin-Hua Cai; Ying-Heng Huang; Yi-Min Jiang","Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","10","m2432","m2434","10.1107/S1600536806034581","","","0.71073","MoKα","","0.0502","0.0372","","","0.0947","0.0985","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210539","11.524","0.003","7.7133","0.0019","24.89","0.006","90","","90","","90","","2212.4","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-hydroxyphenyl)isoindoline-1,3-dione","","- C14 H9 N O3 -","- C14 H9 N O3 -","- C112 H72 N8 O24 -","8","1","CI2156","Liang, Zu-Pei; Li, Jian","2-(4-Hydroxyphenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","10","o4436","o4437","10.1107/S1600536806035963","","","0.71073","MoKα","","0.0981","0.0426","","","0.1069","0.1404","","","","","","0.918","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210576","8.0888","0.0004","7.1356","0.0004","44.235","0.003","90","","90","","90","","2553.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[2-(2-Thienyl)ethoxy]phthalonitrile","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C112 H80 N16 O8 S8 -","8","1","DN2060","Yavuz Köysal; Şamil Işık; Nazan Ocak Iskeleli; Mahmut Durmuş; Vefa Ahsen","3-[2-(2-Thienyl)ethoxy]phthalonitrile","Acta Crystallographica Section E","2006","62","10","o4261","o4262","10.1107/S1600536806034830","","","0.71073","MoKα","","0.1076","0.0708","","","0.2143","0.2442","","","","","","0.952","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210579","15.2885","0.0013","11.9367","0.001","19.2389","0.0016","90","","90","","90","","3511","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tris(ethylenediamine)nickel(II) hexaselenodistannate","","- C12 H48 N12 Ni2 Se6 Sn2 -","- C12 H48 N12 Ni2 Se6 Sn2 -","- C48 H192 N48 Ni8 Se24 Sn8 -","4","0.5","EZ2014","Hai-Bao Duan; Zhan Hu; Bing Jia; Yong-Lin An","Solvothermal synthesis and characterization of tris(ethylenediamine)nickel(II) hexaselenodistannate(IV)","Acta Crystallographica Section E","2006","62","10","m2709","m2710","10.1107/S1600536806038050","","","0.71073","MoKα","","0.043","0.03","","","0.065","0.068","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210593","10.023","0.0004","11.2803","0.0005","28.6327","0.0014","90","","90","","90","","3237.3","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","mer,cis-trichlorotris(dimethyl sulfoxide)rhodium(III)","","- C6 H18 Cl3 O3 Rh S3 -","- C6 H18 Cl3 O3 Rh S3 -","- C48 H144 Cl24 O24 Rh8 S24 -","8","1","FI2012","Abbasi, Alireza; Azizi, Fereshteh; Eriksson, Lars; Sandström, Magnus","A new polymorph of <i>mer</i>,<i>cis</i>-trichlorotris(dimethyl sulfoxide)rhodium(III)","Acta Crystallographica Section E","2006","62","10","m2651","m2652","10.1107/S1600536806037329","","","0.71073","MoKα","","0.0493","0.0344","","","0.0835","0.086","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210643","13.902","0.003","9.337","0.0019","35.815","0.007","90","","90","","90","","4648.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2-(Diphenylphosphino)phenyliminomethyl]ferrocene","","- C29 H24 Fe N P -","- C29 H24 Fe N P -","- C232 H192 Fe8 N8 P8 -","8","1","HG2079","Xiao-Lin Zhang; Ren-Yun Kuang; Qian-Yong Cao; Lai-Tao Luo","[2-(Diphenylphosphino)phenyliminomethyl]ferrocene","Acta Crystallographica Section E","2006","62","10","m2491","m2492","10.1107/S1600536806035082","","","0.71073","MoKα","","0.1725","0.0789","","","0.1569","0.1919","","","","","","0.948","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210656","13.812","0.003","7.54","0.0015","16.708","0.003","90","","90","","90","","1740","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1H)-one","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C72 H72 N24 O8 -","8","1","HK2117","Jing, Heng; Hong-Jun Zhu; Shan Liu; Wei Zheng; Ya-Ming Wu","3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4318","o4319","10.1107/S1600536806035100","","","0.71073","MoKα","","0.1044","0.0545","","","0.1225","0.1458","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210679","16.435","0.002","8.6228","0.0013","17.634","0.003","90","","90","","90","","2499","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-cyano-1:2κ^2^C:N;2:3κ^2^N:C-dicyano-1κC,3κC-(5,7,7,12,14,14- hexamethyl-1,4,8,11-tetraazacylotetradecane-2κ^4^N)nickel(II)disilver(I)","","- C20 H36 Ag2 N8 Ni -","- C20 H36 Ag2 N8 Ni -","- C80 H144 Ag8 N32 Ni4 -","4","0.5","JH2029","Ying-Ying Kou; Wen Gu; Zhan-Quan Liu; Hui Liu; Shi-Ping Yan","Di-μ-cyano-1:2κ^2^<i>C</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>C</i>-dicyano-1κ<i>C</i>,3κ<i>C</i>-(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacylotetradecane-2κ^4^<i>N</i>)nickel(II)disilver(I)","Acta Crystallographica Section E","2006","62","10","m2631","m2633","10.1107/S1600536806036853","","","0.71073","MoKα","","0.0446","0.0278","","","0.0718","0.0774","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210723","19.0405","0.0007","17.1308","0.0007","20.5597","0.0008","90","","90","","90","","6706.1","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O)cerate(III) trihydrate","","- C24 H33 Ce N12 O15 -","- C24 H33 Ce N12 O15 -","- C192 H264 Ce8 N96 O120 -","8","1","NG2085","Aghabozorg, Hossein; Mohammad Panah, Fahimeh; Sadr-khanlou, Elahe","Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>)cerate(III) trihydrate","Acta Crystallographica Section E","2006","62","10","m2509","m2511","10.1107/S1600536806034428","","","0.71073","MoKα","","0.0727","0.039","","","0.0785","0.0868","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210733","10.6079","0.0002","40.5916","0.0002","14.8774","0.0002","90","","90","","90","","6406.08","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[7,16-Bis(benzyloxycarbonyl)-6,18,15,17- tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato-κ^4^N]nickel(II)","","- C38 H34 N4 Ni O4 -","- C38 H34 N4 Ni O4 -","- C304 H272 N32 Ni8 O32 -","8","1","NG2105","Boyd, Peter D.W.; Challis, J.B.; Rickard, C.E.F.","[7,16-Bis(benzyloxycarbonyl)-6,18,15,17-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradecinato-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section E","2006","62","10","m2732","m2734","10.1107/S1600536806038803","","","0.71073","MoKα","","0.0477","0.0373","","","0.0935","0.1037","","","","","","0.847","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210756","9.498","0.002","9.457","0.002","20.205","0.005","90","","90","","90","","1814.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-N-(4-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C64 H56 Cl8 N16 O24 -","8","1","OM2040","Yong-Hong Wen; Xue-Mei Li; Li-Li Xu; Xiao-Fang Tang; Shu-Sheng Zhang","2-Chloro-<i>N</i>-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2006","62","10","o4427","o4428","10.1107/S1600536806036221","","","0.71073","MoKα","","0.0567","0.0421","","","0.0988","0.108","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210773","14.9271","0.0013","10.9247","0.0013","18.8582","0.0016","90","","90","","90","","3075.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(2-Bromo-5-methoxyphenyl)-6-phenyl-1,3-thiazolo[3,2-b][1,2,4]triazole","","- C17 H12 Br N3 O S -","- C17 H12 Br N3 O S -","- C136 H96 Br8 N24 O8 S8 -","8","1","SG2057","Yathirajan, H. S.; Vijaya Raj, K. K.; Narayana, B.; Sarojini, B. K.; Bolte, Michael","2-(2-Bromo-5-methoxyphenyl)-6-phenyl-1,3-thiazolo[3,2-<i>b</i>][1,2,4]triazole","Acta Crystallographica Section E","2006","62","10","o4444","o4445","10.1107/S1600536806035707","","","0.71073","MoKα","","0.0558","0.037","","","0.0812","0.0871","","","","","","0.981","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210779","14.847","0.002","9.548","0.0011","15.473","0.002","90","","90","","90","","2193.4","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)","","- C16 H36 Co N2 O10 -","- C16 H36 Co N2 O10 -","- C64 H144 Co4 N8 O40 -","4","0.5","SJ2111","Ward, Antony J.; Burger, Matija; Aquino, Cindy; Clegg, Jack K.; Turner, Peter; Masters, Anthony F.; Maschmeyer, Thomas","Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)","Acta Crystallographica Section E","2006","62","10","m2429","m2431","10.1107/S160053680603443X","","","0.71073","MoKα","","0.0352","0.0288","","","0.0791","0.0836","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210790","9.9173","0.0008","9.2463","0.0007","35.405","0.003","90","","90","","90","","3246.6","0.5","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Phosphoric trianilide","Trianilinophosphine oxide","","- C18 H18 N3 O P -","- C18 H18 N3 O P -","- C144 H144 N24 O8 P8 -","8","1","SJ2124","Shazia Anjum; Atta-ur-Rahman; Hoong-Kun Fun","Trianilinophosphine oxide","Acta Crystallographica Section E","2006","62","10","o4569","o4571","10.1107/S1600536806037159","","","0.71073","MoKα","","0.0554","0.049","","","0.1286","0.1365","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210874","6.9803","0.0004","17.5191","0.0009","26.9377","0.0014","90","","90","","90","","3294.2","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-[(4-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Br N3 O -","- C18 H16 Br N3 O -","- C144 H128 Br8 N24 O8 -","8","1","BH2054","Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu; Yang, Ming-Hua","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5328","o5329","10.1107/S1600536806044540","","","0.71073","MoKα","","0.0812","0.0507","","","0.106","0.1134","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210883","7.4122","0.0012","11.2752","0.0018","32.189","0.005","90","","90","","90","","2690.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-(2-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","BI2076","Qiu, Xiao-Yang; Ma, Ji-Long","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5041","o5042","10.1107/S1600536806041456","","","0.71073","MoKα","","0.0804","0.0424","","","0.1064","0.1268","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210891","14.4587","0.0012","14.4275","0.001","19.0072","0.0013","90","","90","","90","","3965","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C160 H184 N8 O56 -","8","1","BT2190","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Zoufalá, Petra; Lang, H.","Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o4963","o4965","10.1107/S160053680604089X","","","0.71073","MoKα","","0.0704","0.0506","","","0.1182","0.1334","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210902","10.0451","0.0003","9.4978","0.0002","18.5293","0.0006","90","","90","","90","","1767.81","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluoro-1H-indole-2-carbohydrazide","","- C9 H8 F N3 O -","- C9 H8 F N3 O -","- C72 H64 F8 N24 O8 -","8","1","BT2203","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Vijaya Raj, K. K.; Narayana, B.","5-Fluoro-1<i>H</i>-indole-2-carbohydrazide","Acta Crystallographica Section E","2006","62","11","o4986","o4988","10.1107/S1600536806040943","","","0.71073","MoKα","","0.0389","0.032","","","0.0839","0.0886","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210926","7.752","0.005","21.259","0.005","23.011","0.005","90","","90","","90","","3792","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-amino-6-phenyl 4-tolylfuro[2,3-b]pyridine-2-carboxylate","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","CI2180","Jotani, Mukesh M.; Patel, Urmila H.; Shah, Hetal C.","Ethyl 3-amino-6-phenyl-4-tolylfuro[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section E","2006","62","11","o4906","o4908","10.1107/S160053680604027X","","","0.71069","MoKα","","0.1106","0.0781","","","0.1526","0.1661","","","","","","1.194","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210941","14.979","0.001","13.609","0.001","25.164","0.001","90","","90","","90","","5129.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","","- C26 H30 Br2 Co N2 O2 -","- C26 H30 Br2 Co N2 O2 -","- C208 H240 Br16 Co8 N16 O16 -","8","1","CI2197","Qing Wang; Xiao-Yang Qiu","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","Acta Crystallographica Section E","2006","62","11","m3000","m3001","10.1107/S1600536806043364","","","0.71073","MoKα","","0.0953","0.0522","","","0.14","0.1655","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210948","16.096","0.003","17.769","0.004","19.759","0.004","90","","90","","90","","5651","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Co N10 S2 -","- C22 H32 Co N10 S2 -","- C176 H256 Co8 N80 S16 -","8","1","CV2130","Fa-Qian Liu; Hong-Na Chen; Juan Su; Wei Li; Rong-Xun Li","Tetrakis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","11","m2881","m2882","10.1107/S1600536806040554","","","0.71073","MoKα","","0.1772","0.0777","","","0.1542","0.1947","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210993","15.3791","0.0017","13.2941","0.0014","17.0078","0.0019","90","","90","","90","","3477.3","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydroxy-diphenyl-acetic acid 1-methyl-piperidin-4-yl ester","1-Methylpiperidin-4-yl hydroxydiphenylacetate","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C160 H184 N8 O24 -","8","1","FL2060","Fu, De-Cai; Sun, Feng-Xia; Liu, Qian; Lv, Hai-Jun","1-Methylpiperidin-4-yl hydroxydiphenylacetate","Acta Crystallographica Section E","2006","62","11","o5284","o5285","10.1107/S1600536806044035","","","0.7107","MoKα","","0.0532","0.0428","","","0.1024","0.1088","","","","","","1.096","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210995","10.212","0.002","9.696","0.002","36.927","0.008","90","","90","","90","","3656.3","1.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","FL2062","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[2-(4-Chlorobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","11","o4835","o4836","10.1107/S1600536806039973","","","0.71073","MoKα","","0.102","0.0467","","","0.1131","0.1384","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211040","9.6943","0.0019","14.775","0.003","25.693","0.005","90","","90","","90","","3680.1","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(1H-imidazol-2-yl)phenolato-κ^2^N,O]zinc(II) methanol solvate","","- C19 H18 N4 O3 Zn -","- C19 H18 N4 O3 Zn -","- C152 H144 N32 O24 Zn8 -","8","1","HG2110","He, Hong-Shan","Bis[2-(1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II) methanol solvate","Acta Crystallographica Section E","2006","62","11","m3042","m3043","10.1107/S1600536806042796","","","0.71073","MoKα","","0.1775","0.0857","","","0.1591","0.2139","","","","","","1.167","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211134","15.768","0.009","12.437","0.007","15.877","0.009","90","","90","","90","","3114","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","salicylato dimethyltitanocene","Bis(η^5^-methylcyclopentadienyl)(salicylato-κ^2^O,O')titanium(IV)","","- C19 H18 O3 Ti -","- C19 H18 O3 Ti -","- C152 H144 O24 Ti8 -","8","1","NG2113","Fang Xu; Zi-Wei Gao; Ling-Xiang Gao; Jin-Ling Li","Bis(η^5^-methylcyclopentadienyl)(salicylato-κ^2^<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section E","2006","62","11","m2811","m2812","10.1107/S1600536806039675","","","0.71073","MoKα","","0.1185","0.0503","","","0.1195","0.1604","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211144","9.6139","0.0002","10.5459","0.0002","17.3756","0.0003","90","","90","","90","","1761.66","0.06","100","0.1","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","OB2073","Muhammad I. Saleh; Weng-Thim Tham; Rohana Adnan; Eny Kusrini; Shea-Lin Ng; Hoong-Kun Fun","A second orthorhombic polymorph of 5-nitroisophthalic acid monohydrate","Acta Crystallographica Section E","2006","62","11","o4837","o4839","10.1107/S1600536806040062","","","0.71073","MoKα","","0.0527","0.0417","","","0.1077","0.1143","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211146","6.9966","0.0008","17.994","0.002","26.469","0.003","90","","90","","90","","3332.4","0.7","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-4-(4-methylbenzylideneamino)-1, 5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C152 H152 N24 O8 -","8","1","OB2075","Yang, Ming-Hua; Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu","(<i>E</i>)-1,5-Dimethyl-4-(4-methylbenzylideneamino)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4944","o4945","10.1107/S1600536806041080","","","0.71073","MoKα","","0.0918","0.0508","","","0.0798","0.0837","","","","","","1.081","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211153","11.193","0.003","7.731","0.002","30.815","0.008","90","","90","","90","","2666.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formylsalicylidene)glycinato(2-)-κ^3^O,N,O']cobalt(II) monohydrate","","- C10 H15 Co N O8 -","- C10 H15 Co N O8 -","- C80 H120 Co8 N8 O64 -","8","1","OB2084","Ying-Heng Huang; Jin-Hua Cai; Xiu-Ju Yin; Yi-Min Jiang","Triaqua[<i>N</i>-(5-formylsalicylidene)glycinato(2{-})-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']cobalt(II) monohydrate","Acta Crystallographica Section E","2006","62","11","m2922","m2924","10.1107/S1600536806041626","","","0.71073","MoKα","","0.065","0.0358","","","0.0898","0.0966","","","","","","0.873","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211155","12.6478","0.0011","12.8564","0.0011","18.2165","0.0015","90","","90","","90","","2962.1","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl]acrylonitrile","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C128 H104 Cl8 N16 O16 -","8","1","OB2086","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","2-{[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl}acrylonitrile","Acta Crystallographica Section E","2006","62","11","o5063","o5064","10.1107/S160053680604181X","","","0.71073","MoKα","","0.0731","0.0535","","","0.122","0.1311","","","","","","1.117","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211158","13.496","0.003","9.5681","0.0019","25.706","0.005","90","","90","","90","","3319.4","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- μ-acetylenedicarboxylato-κ^2^O:O']","","- C16 H12 Co N2 O6 -","- C16 H12 Co N2 O6 -","- C128 H96 Co8 N16 O48 -","8","1","OB2089","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-acetylenedicarboxylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m3152","m3154","10.1107/S1600536806044734","","","0.71073","MoKα","","0.0351","0.0261","","","0.066","0.0695","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211164","9.1284","0.0018","9.783","0.002","24.156","0.005","90","","90","","90","","2157.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C104 H72 Cl8 N16 -","8","1","OM2059","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Pu-Su Zhao; Hai-Lian Xiao","2-(4-Chlorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","11","o5194","o5195","10.1107/S1600536806043017","","","0.71073","MoKα","","0.0949","0.073","","","0.1412","0.1502","","","","","","1.209","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211199","7.1676","0.0001","11.1505","0.0002","34.6112","0.0005","90","","90","","90","","2766.21","0.07","100","0.1","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C128 H96 Cl16 O16 -","8","1","SJ2130","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; Vedavati G. Puranik; S. M. Dharmaprakash","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4773","o4774","10.1107/S1600536806039006","","","0.71073","MoKα","","0.0674","0.049","","","0.1079","0.1158","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211206","9.707","0.0005","12.7121","0.0007","16.4203","0.0008","90","","90","","90","","2026.21","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Chlorohydroxydimethyldihydroquinazolinone","5-Chloro-3-hydroxy-2,2-dimethylquinazolin-4(1H)-one","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C80 H88 Cl8 N16 O16 -","8","1","SJ2138","Nagarajan Vembu; Elinor C. Spencer; Jean Lee; John G. Kelly; Kevin B. Nolan; Marc Devocelle","5-Chloro-3-hydroxy-2,2-dimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one: supramolecular aggregation through a two-dimensional network of N—H···O and O—H···O interactions","Acta Crystallographica Section E","2006","62","11","o5003","o5005","10.1107/S1600536806040852","","","0.71073","MoKα","","0.0543","0.0376","","","0.0962","0.1071","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211223","9.4085","0.0003","7.4402","0.0002","26.7754","0.0007","90","","90","","90","","1874.31","0.09","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4,4'-bis(2-(2-pyridyl)vinyl)biphenyl","4,4'-Bis[2-(2-pyridyl)vinyl]biphenyl","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","WK2030","Liu, Hui-Jun; Tao, Xu-Tang; Zhao, Hua-Pin; Yu, Wen-Tao; Jiang, Min-Hua","4,4'-Bis[2-(2-pyridyl)vinyl]biphenyl","Acta Crystallographica Section E","2006","62","11","o5319","o5320","10.1107/S1600536806042085","","","0.71073","MoKα","","0.0811","0.0439","","","0.0968","0.1153","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211248","11.2807","0.0004","13.9968","0.0005","16.7612","0.0006","90","","90","","90","","2646.49","0.16","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-quinolinium Iodide","","- C13 H16 I N -","- C13 H16 I N -","- C104 H128 I8 N8 -","8","1","YM2028","Zhong, Chong-Min; Zuo, Ya-Jie; Jin, Hua-Shu; Liu, Shuang-Quan; Wang, Tian-Chi","1-Butylquinolinium iodide","Acta Crystallographica Section E","2006","62","11","o5050","o5051","10.1107/S1600536806041225","","","0.71073","MoKα","","0.0338","0.0223","","","0.0513","0.056","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211272","6.852","0.0005","16.8891","0.0013","27.204","0.002","90","","90","","90","","3148.2","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,4-Dihydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C144 H136 N24 O24 -","8","1","AT2165","Sun, Yu-Xi","4-(3,4-Dihydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5860","o5861","10.1107/S1600536806049658","","","0.71073","MoKα","","0.1073","0.0608","","","0.1211","0.1406","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211294","12.823","0.002","9.914","0.003","19.75","0.004","90","","90","","90","","2510.8","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[bis(salicylato-κO)copper(II)]-di-μ-3-pyridylmethanol-κ^2^N:O;κ^2^O:N]","","- C26 H24 Cu N2 O8 -","- C26 H24 Cu N2 O8 -","- C104 H96 Cu4 N8 O32 -","4","0.5","BI2093","Maroszová, Jaroslava; Moncol, Jan; Koman, Marian; Melník, Milan; Głowiak, Tadeusz","Poly[[bis(salicylato-κ<i>O</i>)copper(II)]-di-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]: a redetermination at 100 K","Acta Crystallographica Section E","2006","62","12","m3385","m3387","10.1107/S1600536806047891","","","0.71069","MoKα","","0.0439","0.0392","","","0.085","0.0879","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211296","8.4259","0.0007","10.9029","0.0009","33.263","0.003","90","","90","","90","","3055.8","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Diethylamino-3-phenylquinazolin-4(3H)-one","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","1","BI2097","Chang Xie; Hong-Xia Li","2-Diethylamino-3-phenylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5632","o5633","10.1107/S160053680604582X","","","0.71073","MoKα","","0.0616","0.0518","","","0.1291","0.1362","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211309","9.8781","0.0008","6.9451","0.0005","19.2655","0.0015","90","","90","","90","","1321.7","0.18","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(2H-indazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","BX2032","Rodríguez de Barbarín, Cecilia; Nájera, Blanca; Elizondo, Perla; Cerda, Patricia","2,2'-(Ethane-1,2-diyl)bis(2<i>H</i>-indazole)","Acta Crystallographica Section E","2006","62","12","o5423","o5424","10.1107/S1600536806045120","","","0.71073","MoKα","","0.0651","0.0402","","","0.0944","0.1056","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211372","12.379","0.002","12.651","0.002","20.421","0.004","90","","90","","90","","3198.1","1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-bis(2-cyano-2-thienylvinyl)thiophene","","- C18 H10 N2 S3 -","- C18 H10 N2 S3 -","- C144 H80 N16 S24 -","8","1","DN2097","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","2,5-Bis(2-cyano-2-thienylvinyl)thiophene","Acta Crystallographica Section E","2006","62","12","o5931","o5932","10.1107/S1600536806050100","","","0.71073","MoKα","","0.0566","0.0406","","","0.0866","0.0947","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211397","7.4264","0.0006","8.9074","0.0006","15.8018","0.0014","90","","90","","90","","1045.29","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-1,4-Diaminocyclohexane dihydrobromide","","- C6 H16 Br2 N2 -","- C6 H16 Br2 N2 -","- C24 H64 Br8 N8 -","4","0.5","FL2078","Rademeyer, Melanie","<i>trans</i>-Cyclohexane-1,4-diammonium dibromide","Acta Crystallographica Section E","2006","62","12","o5767","o5769","10.1107/S1600536806047908","","","0.71073","MoKα","","0.0832","0.049","","","0.1013","0.1133","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211407","12.369","0.001","11.964","0.001","12.844","0.001","90","","90","","90","","1900.7","0.3","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NDSB-195","ethyldimethylammoniopropane sulfonate","","- C7 H17 N O3 S -","- C7 H17 N O3 S -","- C56 H136 N8 O24 S8 -","8","1","GK2041","Katarzyna D. Koclega; Maksymilian Chruszcz; Wladek Minor","3-(Ethyldimethylammonio)propanesulfonate","Acta Crystallographica Section E","2006","62","12","o5757","o5759","10.1107/S1600536806048069","","","1.54179","CuKα","","0.0368","0.0339","","","0.0899","0.092","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211478","9.431","0.003","10.512","0.004","17.414","0.006","90","","90","","90","","1726.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","0.5","IS2110","Xia, Hai-Tao; Liu, Yun-Fen; Yang, Shu-Ping; Wang, Da-Qi","6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol","Acta Crystallographica Section E","2006","62","12","o5864","o5865","10.1107/S1600536806050227","","","0.71073","MoKα","","0.0656","0.0413","","","0.1094","0.1363","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211492","11.142","0.002","14.929","0.003","15.68","0.003","90","","90","","90","","2608.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,6-Trimethyl-8,9-dihydro-5H,7H-pyrido[3,2-e]pyrazino[1,2-b][1,2]thiazin-5-one 11,11-dioxide","","- C13 H15 N3 O3 S -","- C13 H15 N3 O3 S -","- C104 H120 N24 O24 S8 -","8","1","KP2062","Karczmarzyk, Zbigniew; Malinka, Wiesław","2,4,6-Trimethyl-8,9-dihydro-5<i>H</i>,7<i>H</i>-pyrido[3,2-<i>e</i>]pyrazino[1,2-<i>b</i>][1,2]thiazin-5-one 11,11-dioxide","Acta Crystallographica Section E","2006","62","12","o5781","o5783","10.1107/S1600536806048355","","","1.54178","CuKα","","0.0331","0.0328","","","0.0961","0.0965","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211517","13.393","0.003","8.8039","0.0018","14.622","0.003","90","","90","","90","","1724.1","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","zinc pyridazinedicarboxylate","Bis(μ-pyridazine-3,6-carboxylato-κ^4^N,O:N',O')bis[diaquazinc(II)]","","- C12 H12 N4 O12 Zn2 -","- C12 H12 N4 O12 Zn2 -","- C48 H48 N16 O48 Zn8 -","4","0.5","LH2245","Michał Gryz; Wojciech Starosta; Janusz Leciejewicz","Bis(μ-pyridazine-3,6-carboxylato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>')bis[diaquazinc(II)]","Acta Crystallographica Section E","2006","62","12","m3470","m3472","10.1107/S1600536806049130","","","0.71073","MoKα","","0.07","0.031","","","0.0884","0.1008","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211524","10.416","0.002","7.6525","0.0014","33.053","0.006","90","","90","","90","","2634.6","0.8","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(p-nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C128 H104 Fe8 N8 O16 -","8","1","LH2253","Xin-Hong Chang","An orthorhombic polymorph of (<i>p</i>-nitrophenyl)ferrocene","Acta Crystallographica Section E","2006","62","12","m3544","m3545","10.1107/S1600536806050185","","","0.71073","MoKα","","0.0477","0.0419","","","0.0975","0.1007","","","","","","1.176","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211545","15.7488","0.0007","25.5058","0.0009","25.5058","0.0009","90","","90","","90","","10245.3","0.7","293.15","","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-3,5-dimethylpyrazolato-κ^2^N:N')bis[(4,4'-dimethyl- 2,2'-bipyridine-κ^2^N,N')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate","","- C38 H44 F12 N10 P2 Pd2 -","- C38 H44 F12 N10 P2 Pd2 -","- C304 H352 F96 N80 P16 Pd16 -","8","1","NG2152","Hai-Ping Huang; Qiong Wu; Guang-Quan Mei","Bis(μ-3,5-dimethylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","12","m3465","m3466","10.1107/S1600536806048926","","","0.71073","MoKα","","0.0748","0.0632","","","0.1575","0.169","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211548","7.471","0.001","13.805","0.002","26.096","0.005","90","","90","","90","","2691.5","0.7","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)","","- C16 H14 Co N2 O2 -","- C16 H14 Co N2 O2 -","- C128 H112 Co8 N16 O16 -","8","1","NG2157","Yuan, Wen-Bing; Wang, Hai-Yang; Du, Jin-Feng; Chen, Shang-Wen; Zhang, Qi","{2,2'-[Ethane-1,2-diylbis(nitrilomethylidene)]diphenolato}cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3504","m3505","10.1107/S1600536806049932","","","0.71073","MoKα","","0.0634","0.0367","","","0.0768","0.0821","","","","","","0.97","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211564","9.2132","0.0004","23.6595","0.001","19.7075","0.001","90","","90","","90","","4295.8","0.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}- (ethanol)dioxouranium(VI)","","- C20 H24 N2 O7 U -","- C20 H24 N2 O7 U -","- C160 H192 N16 O56 U8 -","8","1","OB3026","Nuray Şenyüz; Çiĝdem Yüksektepe; Hümeyra Batı; Nezihe Çalışkan; Orhan Büyükgüngör","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(ethanol)dioxouranium(VI)","Acta Crystallographica Section E","2006","62","12","m3163","m3164","10.1107/S1600536806044771","","","0.71073","MoKα","","0.0761","0.0419","","","0.0906","0.0989","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211604","15.4148","0.0017","14.9772","0.0017","17.0633","0.0019","90","","90","","90","","3939.4","0.8","173","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Diethylpyrrolidinium pentachloro(tetrahydrofuran)zirconate","","- C12 H26 Cl5 N O Zr -","- C12 H26 Cl5 N O Zr -","- C96 H208 Cl40 N8 O8 Zr8 -","8","1","SG2085","Braunschweig, Holger; Kraft, Mario; Seeler, Fabian","<i>N</i>,<i>N</i>-Diethylpyrrolidinium pentachloro(tetrahydrofuran)zirconate(IV)","Acta Crystallographica Section E","2006","62","12","m3267","m3268","10.1107/S1600536806045880","","","0.71073","MoKα","","0.0395","0.034","","","0.1024","0.1082","","","","","","1.098","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211605","10.9824","0.0006","11.6668","0.0006","22.4586","0.0012","90","","90","","90","","2877.6","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","thorium chromate monohydrate","Thorium chromate monohydrate","","- Cr2 O9 Th -","- Cr2 O9 Th -","- Cr32 O144 Th16 -","16","2","SG2089","Tyler A. Sullens; Thomas E. Albrecht-Schmitt","Thorium(IV) chromate(VI) monohydrate","Acta Crystallographica Section E","2006","62","12","i258","i260","10.1107/S1600536806047416","","","0.71073","MoKα","","0.0249","0.0228","","","0.0532","0.0539","","","","","","1.114","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211611","8.797","0.002","16.88","0.002","28.145","0.004","90","","90","","90","","4179.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate","","- C22 H20 N4 O4 S -","- C22 H20 N4 O4 S -","- C176 H160 N32 O32 S8 -","8","1","SG2104","Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","<i>N</i>,<i>N</i>'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate","Acta Crystallographica Section E","2006","62","12","o5913","o5915","10.1107/S160053680605077X","","","0.71073","MoKα","","0.1016","0.0466","","","0.1224","0.1477","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211631","14.7417","0.0011","6.1208","0.0004","32.941","0.003","90","","90","","90","","2972.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","SJ2169","Lu, Zhi-Ke; Duan, Xue-Min; Huang, Peng-Mian","(<i>E</i>)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5751","o5752","10.1107/S1600536806048859","","","0.7107","MoKα","","0.0656","0.0563","","","0.1355","0.1441","","","","","","1.16","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211664","7.0477","0.0008","15.1868","0.0017","24.426","0.003","90","","90","","90","","2614.4","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-(4-nitrobenzylideneamino)phenyl)acetamide","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C120 H104 N24 O24 -","8","1","WN2091","Wu, Yun; Zhao, Bo; Li, Baolong","<i>N</i>-[4-(4-Nitrobenzylideneamino)phenyl]acetamide","Acta Crystallographica Section E","2006","62","12","o5677","o5678","10.1107/S1600536806048173","","","0.7107","MoKα","","0.0699","0.0634","","","0.1385","0.1421","","","","","","1.152","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211675","9.8517","0.0017","11.3516","0.0018","33.451","0.008","90","","90","","90","","3740.9","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]benzamide","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","XU2150","Bazgir, Ayoob; Amani, Vahid; Khavasi, Hamid Reza","<i>N</i>-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]benzamide","Acta Crystallographica Section E","2006","62","12","o5523","o5524","10.1107/S1600536806046526","","","0.71073","MoKα","","0.11","0.08","","","0.137","0.15","","","","","","1.182","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211681","13.5903","0.0013","8.6378","0.0009","30.169","0.003","90","","90","","90","","3541.5","0.6","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1-(naphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","1","XU2159","Lu, Zhi-Ke; Huang, Peng-Mian; Yu, Jiang-Fan","(<i>E</i>)-1-(2-Naphthyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5753","o5754","10.1107/S160053680604815X","","","0.7107","MoKα","","0.073","0.066","","","0.142","0.146","","","","","","1.225","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211715","12.778","0.003","12.655","0.003","15.926","0.004","90","","90","","90","","2575.3","1.1","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Bis(hydroxymethyl)-6-(isopropyl)perhydro-2,3,4a,6,7a- pentaazacyclopenta[cd]indene-1,4-dione","","- C11 H19 N5 O4 -","- C11 H19 N5 O4 -","- C88 H152 N40 O32 -","8","1","AT2193","Hai-Ling Xi; Meng Gao; Li-Ping Cao; Yi-Tao Li","2,3-Bis(hydroxymethyl)-6-isopropylperhydro-2,3,4a,6,7a-pentaazacyclopenta[<i>cd</i>]indene-1,4-dione","Acta Crystallographica Section E","2007","63","1","o400","o401","10.1107/S1600536806054882","","","0.71073","MoKα","","0.1318","0.0575","","","0.1111","0.1269","","","","","","0.827","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211795","14.3048","0.0007","10.1746","0.0005","29.7259","0.0015","90","","90","","90","","4326.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetylacetonato-κ^2^O,O')(4-Hydroxybenzaldehyde thiosemicarbazone-κS)zinc(II)","","- C18 H23 N3 O5 S Zn -","- C18 H23 N3 O5 S Zn -","- C144 H184 N24 O40 S8 Zn8 -","8","1","DN2105","Yang, Xue-Mei","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-hydroxybenzaldehyde thiosemicarbazone-κ<i>S</i>)zinc(II)","Acta Crystallographica Section E","2007","63","1","m284","m285","10.1107/S1600536806054183","","","0.71073","MoKα","","0.0714","0.0363","","","0.0797","0.095","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211829","7.0488","0.0015","12.15","0.003","28.649","0.006","90","","90","","90","","2453.6","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","HB2222","Xi-Shi Tai; Fan-Yuan Kong; Jie Yin","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2007","63","1","o79","o80","10.1107/S1600536806051919","","","0.71073","MoKα","","0.1173","0.0414","","","0.084","0.1083","","","","","","0.96","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211836","21.3111","0.001","9.3462","0.0005","22.3385","0.0016","90","","90","","90","","4449.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-bromophenyl)-3-(3-nitrophenyl)pentane-1,5-dione","","- C23 H17 Br2 N O4 -","- C23 H17 Br2 N O4 -","- C184 H136 Br16 N8 O32 -","8","1","HB2231","Yathirajan, H. S.; Malte, K.; Narayana, B.; Sreevidya, T.V.; Bolte, Michael","1,5-Bis(4-bromophenyl)-3-(3-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2007","63","1","o228","o229","10.1107/S1600536806052585","","","0.71073","MoKα","","0.0897","0.0674","","","0.1203","0.1294","","","","","","1.175","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211840","7.1855","0.0005","24.4898","0.0019","37.352","0.003","90","","90","","90","","6572.9","0.9","193","","193","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Hydroxyanilino)-1,3-diphenylprop-2-en-1-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C336 H272 N16 O32 -","16","2","HG2125","Yao-Cheng Shi; Su-Hua Zhang","3-(3-Hydroxyanilino)-1,3-diphenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","1","o138","o140","10.1107/S1600536806051798","","","0.7107","MoKα","","0.1064","0.0865","","","0.156","0.1631","","","","","","1.297","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211842","13.756","0.003","8.069","0.0016","19.835","0.004","90","","90","","90","","2201.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[1-(3-Nitrophenyl)ethylidene]thiosemicarbazide","","- C9 H10 N4 O2 S -","- C9 H10 N4 O2 S -","- C72 H80 N32 O16 S8 -","8","1","HG2138","Jian-Gang Wang; Fang-Fang Jian; Yong-Qi Qin; Yan Wang","1-[1-(3-Nitrophenyl)ethylidene]thiosemicarbazide","Acta Crystallographica Section E","2007","63","1","o10","o11","10.1107/S1600536806049440","","","0.71073","MoKα","","0.1646","0.0794","","","0.2075","0.2567","","","","","","0.978","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211845","15.366","0.003","9.2799","0.0019","22.879","0.005","90","","90","","90","","3262.4","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethanolbis[4-(2-furoyl)-3-methyl-1-phenyl-1H-pyrazol-5-onato]zinc(II)","","- C34 H34 N4 O8 Zn -","- C34 H34 N4 O8 Zn -","- C136 H136 N16 O32 Zn4 -","4","0.5","HG2149","Zhang, Heng-Qiang; Li, Jin-Zhou; Gao, Shan; Zhang, Yong","Diethanolbis[4-(2-furoyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-onato]zinc(II)","Acta Crystallographica Section E","2007","63","1","m165","m166","10.1107/S1600536806052718","","","0.71073","MoKα","","0.0422","0.0309","","","0.0885","0.0951","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211849","11.213","0.002","8.1919","0.0016","33.739","0.006","90","","90","","90","","3099.1","1","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-3-(6-methoxynaphthalen-2-yl)-1-phenylprop-2-en-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","HG2153","Chun-Yang Zheng; Ling Fan; Dun-Jia Wang","3-Hydroxy-3-(6-methoxynaphthalen-2-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","1","o396","o397","10.1107/S1600536806053797","","","0.71073","MoKα","","0.1006","0.0675","","","0.1251","0.1383","","","","","","1.157","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211872","9.4345","0.0013","8.607","0.003","28.973","0.005","90","","90","","90","","2352.7","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tryptaminium dihydrogenphospate","","- C10 H15 N2 O4 P -","- C10 H15 N2 O4 P -","- C80 H120 N16 O32 P8 -","8","1","KP2063","T. Kolev; M. Spiteller; T. van Almsick; H. Mayer-Figge; W.S. Sheldrick","2-(Indol-3-yl)ethylammonium dihydrogenphosphate","Acta Crystallographica Section E","2007","63","1","o179","o181","10.1107/S1600536806051749","","","0.71073","MoKα","","0.0541","0.0388","","","0.097","0.1035","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211889","15.5571","0.0012","10.2136","0.0007","15.8883","0.0011","90","","90","","90","","2524.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Phenyl-1-(2-thienyl)penta-2,4-dien-1-one","","- C15 H12 O S -","- C15 H12 O S -","- C120 H96 O8 S8 -","8","1","LH2263","Yathirajan, H. S.; Bindya, S.; Mithun, A.; Narayana, B.; Bolte, Michael","5-Phenyl-1-(2-thienyl)penta-2,4-dien-1-one","Acta Crystallographica Section E","2007","63","1","o61","o62","10.1107/S1600536806050860","","","0.71073","MoKα","","0.0429","0.0376","","","0.1","0.1039","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211918","7.5538","0.0015","13.511","0.003","28.994","0.006","90","","90","","90","","2959.1","1.1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethoxy-4-formylphenyl benzenesulfonate","","- C15 H14 O5 S -","- C15 H14 O5 S -","- C120 H112 O40 S8 -","8","1","OM2075","Ren, Xiao-Liang; Wang, Yan; Qi, Ai-Di","2-Ethoxy-4-formylphenyl benzenesulfonate","Acta Crystallographica Section E","2007","63","1","o219","o220","10.1107/S1600536806052184","","","0.71073","MoKα","","0.0883","0.0429","","","0.0961","0.118","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211923","14.915","0.002","8.4187","0.0014","25.277","0.004","90","","90","","90","","3173.9","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-4,5-dimethoxy-2-nitrobenzamide","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","1","RZ2095","Ghulam Qadeer; Nasim Hasan Rama; Wai-Yeung Wong","<i>N</i>-Benzyl-4,5-dimethoxy-2-nitrobenzamide","Acta Crystallographica Section E","2007","63","1","o335","o336","10.1107/S1600536806053463","","","0.71073","MoKα","","0.1362","0.0664","","","0.1526","0.1829","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211926","11.41","0.005","7.846","0.003","23.167","0.009","90","","90","","90","","2074","1.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-pyridyl)isoindoline-1,3-dione","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C104 H64 N16 O16 -","8","1","SA2027","Liang, Zu-Pei; Li, Jian","2-(2-Pyridyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","1","o405","o406","10.1107/S1600536806054766","","","0.71073","MoKα","","0.0576","0.0341","","","0.0825","0.0957","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211945","16.131","0.003","8.2721","0.0018","17.602","0.004","90","","90","","90","","2348.8","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzhydrylformamide","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","SJ2185","Hua, Chao; Li, Xin-Gang; Xu, Shi-Min","<i>N</i>-Benzhydrylformamide","Acta Crystallographica Section E","2007","63","1","o144","o145","10.1107/S1600536806051592","","","0.71073","MoKα","","0.1045","0.0444","","","0.107","0.1476","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211987","8.563","0.0017","9.91","0.002","28.694","0.006","90","","90","","90","","2435","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,4-Dichlorophenyl)-1H-benzimidazole","","- C13 H8 Cl2 N2 -","- C13 H8 Cl2 N2 -","- C104 H64 Cl16 N16 -","8","1","YM2021","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Tong-Ling Liang; Pu-Su Zhao","2-(2,4-Dichlorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","1","o321","o322","10.1107/S1600536806053384","","","0.71073","MoKα","","0.1346","0.0501","","","0.1243","0.1563","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211989","9.849","0.002","17.665","0.004","18.044","0.004","90","","90","","90","","3139.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diisothiocyanatobis(1-vinyl-1<i>H</i>-imidazole-κN^3^)copper(II)","","- C12 H12 Cu N6 S2 -","- C12 H12 Cu N6 S2 -","- C96 H96 Cu8 N48 S16 -","8","1","AC2053","Wei-Hua Li; Hong-Na Chen; Guo-Hua Li; Fa-Qian Liu","Diisothiocyanatobis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","Acta Crystallographica Section E","2007","63","2","m519","m520","10.1107/S1600536807001274","","","0.71073","MoKα","","0.1002","0.0629","","","0.1529","0.1791","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212023","11.199","0.003","18.962","0.002","26.932","0.003","90","","90","","90","","5719.2","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropionato-κ^3^O,N,O'](1,10- phenanthroline-κ^2^N,N')manganese(II) dihydrate","","- C28 H25 Br2 Mn N3 O5 -","- C28 H25 Br2 Mn N3 O5 -","- C224 H200 Br16 Mn8 N24 O40 -","8","1","BI2119","Xia, Jin Hong; Feng, Xiao-Zhen; Jin, Li-Xia; Zhang, Shu-Hua; Zheng, Liu","[2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropionato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) dihydrate","Acta Crystallographica Section E","2007","63","2","m353","m355","10.1107/S1600536806055619","","","0.71073","MoKα","","0.1455","0.0625","","","0.156","0.2119","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212088","14.5873","0.0015","16.8272","0.0017","17.574","0.0018","90","","90","","90","","4313.8","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3'-diphenylbi-1H-indene-1,1'-dione","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","CI2255","Xu Li; Jing-Jun Liu; Min Zhao; Yong-Ming Wang; Chun-Feng Xia","3,3'-Diphenylbi-1<i>H</i>-indene-1,1'-dione","Acta Crystallographica Section E","2007","63","2","o436","o437","10.1107/S160053680605495X","","","0.71073","MoKα","","0.0583","0.0367","","","0.0857","0.0987","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212102","15.576","0.006","9.611","0.004","16.139","0.006","90","","90","","90","","2416","1.6","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3'-Dibenzyl-3,3'-dihydroxy-[2,2'-bi-1H-indene]-1,1'-dione","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","0.5","CI2275","Hong-Min Zhao; Jing-Jun Liu; Jian Zhang; Shu-Ying Zhang; Xu Li","3,3'-Dibenzyl-3,3'-dihydroxy-[2,2'-bi-1<i>H</i>-indene]-1,1'-dione","Acta Crystallographica Section E","2007","63","2","o750","o751","10.1107/S1600536807001535","","","0.71073","MoKα","","0.0846","0.0426","","","0.1","0.1209","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212117","7.818","0.002","15.019","0.004","28.156","0.007","90","","90","","90","","3306","1.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Triaqua[2-(2-pyridylmethylene)aminoethanesulfonato-κ^3^N,N',O]nickel(II) perchlorate monohydrate","","- C8 H17 Cl N2 Ni O11 S -","- C8 H17 Cl N2 Ni O11 S -","- C64 H136 Cl8 N16 Ni8 O88 S8 -","8","1","CV2165","Jia-Ming Li; Yi-Min Jiang; Chao-Zhu Li; Shu-Hua Zhang","Triaqua[2-(2-pyridylmethyleneamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2007","63","2","m447","m449","10.1107/S1600536806055929","","","0.71073","MoKα","","0.0571","0.0441","","","0.1042","0.1095","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212138","15.3237","0.0006","12.0171","0.0005","20.0773","0.0008","90","","90","","90","","3697.2","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-[(1E)-(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-2-hydroxybenzohydrazide","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C160 H120 Cl8 N16 O24 -","8","1","DN2109","Jian-Guo Chang; Ying Cheng; Xi-Tao He","<i>N</i>'-[(1<i>E</i>)-(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2007","63","2","o474","o475","10.1107/S1600536806055115","","","0.71073","MoKα","","0.0647","0.0395","","","0.0967","0.1152","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212188","11.32","0.002","7.776","0.0016","18.802","0.004","90","","90","","90","","1655","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Nitrobenzamidoxime","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C56 H56 N24 O24 -","8","1","HB2250","Xing, Zhi-Tao; Ding, Wei-Lin; Wang, Hai-Bo; Wang, Pin-Liang","4-Nitrobenzamidoxime","Acta Crystallographica Section E","2007","63","2","o489","o490","10.1107/S1600536806056066","","","0.71073","MoKα","","0.1701","0.0733","","","0.1649","0.2003","","","","","","0.977","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212200","7.488","0.0008","12.1608","0.0011","30.347","0.002","90","","90","","90","","2763.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-(2-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","HB2264","Ma, Ji-Long","(<i>E</i>)-3-(2-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o806","o807","10.1107/S1600536807001420","","","0.71073","MoKα","","0.1895","0.0782","","","0.1632","0.2161","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212270","11.942","0.0009","8.0583","0.0006","21.0592","0.0016","90","","90","","90","","2026.6","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-diiodonaphthalene","2,3-Diiodonaphthalene","","- C10 H6 I2 -","- C10 H6 I2 -","- C80 H48 I16 -","8","1","KP2074","Novak, Igor","2,3-Diiodonaphthalene","Acta Crystallographica Section E","2007","63","2","o440","o441","10.1107/S1600536806054973","","","0.71073","MoKα","","0.0751","0.0603","","","0.1383","0.1466","","","","","","1.125","","","","has coordinates,has Fobs","290481","2024-03-13","07:31:55",""
"2212281","8.729","0.002","9.514","0.002","25.796","0.005","90","","90","","90","","2142.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-benzoylthymine","3-benzoyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","1","LH2278","Parvez, Masood; Phillips, Sandra E.; Sutherland, Todd C.","3-Benzoylthymine","Acta Crystallographica Section E","2007","63","2","o733","o734","10.1107/S1600536807001092","","","0.71073","MoKα","","0.0739","0.0485","","","0.1125","0.1228","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212282","14.5702","0.0005","8.8146","0.0004","20.6699","0.0007","90","","90","","90","","2654.65","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-1-(2,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H10 Cl2 O2 -","- C15 H10 Cl2 O2 -","- C120 H80 Cl16 O16 -","8","1","LH2280","Yathirajan, H. S.; Mayekar, A. N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o426","o427","10.1107/S1600536806055024","","","0.71073","MoKα","","0.0347","0.0319","","","0.082","0.0836","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212283","7.1477","0.0003","16.9604","0.0011","24.2071","0.0013","90","","90","","90","","2934.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-1-(2,4-Dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O3 -","- C16 H12 Cl2 O3 -","- C128 H96 Cl16 O24 -","8","1","LH2281","Yathirajan, H. S.; Mayekar, A. N.; Narayana, B.; Sarojini; Bolte, Michael","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o428","o429","10.1107/S1600536806055036","","","0.71073","MoKα","","0.0353","0.0293","","","0.0784","0.0807","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212309","13.068","0.006","11.294","0.005","20.158","0.009","90","","90","","90","","2975","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 S3 Sn -","- C10 H13 N3 S3 Sn -","- C80 H104 N24 S24 Sn8 -","8","1","NG2196","Junshan Sun; Rufen Zhang; Daqi Wang","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-[5-(2-thienylmethyleneamino)-1,3,4-thiadiazole-2-thiolato-κ^2^<i>N</i>^4^:<i>S</i>^2^]]","Acta Crystallographica Section E","2007","63","2","m418","m419","10.1107/S1600536807000128","","","0.71073","MoKα","","0.0669","0.0353","","","0.0934","0.1224","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212413","9.74","0.002","9.173","0.002","35.354","0.009","90","","90","","90","","3158.7","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(2-phenylethyl)thiourea","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C136 H160 N16 S8 -","8","1","WW2076","Sadiq-ur-Rehman; Ali, Saqib; Parvez, Masood","<i>N</i>,<i>N</i>'-Bis(2-phenylethyl)thiourea","Acta Crystallographica Section E","2007","63","2","o640","o641","10.1107/S1600536807000323","","","0.71073","MoKα","","0.078","0.042","","","0.085","0.1","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212414","8.6344","0.0003","17.7484","0.0006","20.5928","0.0007","90","","90","","90","","3155.78","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-2-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)zinc(II)]","","- C26 H30 N4 O12 P2 Zn2 -","- C26 H30 N4 O12 P2 Zn2 -","- C104 H120 N16 O48 P8 Zn8 -","4","0.5","WW2077","Shao-Ming Ying; Xin-Fa Li; Wen-Tong Chen; Dong-Sheng Liu; Jiu-Hui Liu","Bis(μ-2-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)zinc(II)]","Acta Crystallographica Section E","2007","63","2","m555","m557","10.1107/S1600536807002206","","","0.71073","MoKα","","0.0398","0.0257","","","0.0618","0.0634","","","","","","0.854","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212437","14.761","0.005","5.794","0.002","31.206","0.009","90","","90","","90","","2668.9","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Benzotriazol-1-yl)-1-m-tolylpropan-1-one","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","1","AT2219","Wu-Lan Zeng; Sai Bi; Jun Wan","3-(Benzotriazol-1-yl)-1-<i>m</i>-tolylpropan-1-one","Acta Crystallographica Section E","2007","63","3","o1084","o1085","10.1107/S1600536807004503","","","0.71073","MoKα","","0.1207","0.0662","","","0.1268","0.1503","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212439","9.3969","0.0017","9.7876","0.0018","23.982","0.004","90","","90","","90","","2205.7","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","AT2221","Rashid, Naghmana; Tahir, Muhammad K.; Yusof, Nurdiyana M.; Yamin, Bohari M.","2-(4-Bromophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","3","o1260","o1261","10.1107/S1600536807005661","","","0.71073","MoKα","","0.046","0.032","","","0.0776","0.083","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212451","7.0421","0.0002","14.3771","0.0003","14.7134","0.0004","90","","90","","90","","1489.66","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-Hydroxyisonicotinamidium chloride","4-(Hydroxyaminocarbonyl)pyridinium chloride","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C48 H56 Cl8 N16 O16 -","8","1","BH2082","Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elźbieta","4-(Hydroxyaminocarbonyl)pyridinium chloride","Acta Crystallographica Section E","2007","63","3","o1515","o1517","10.1107/S1600536807008604","","","0.71073","MoKα","","0.0401","0.0304","","","0.0748","0.0795","","","","","","1.112","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212502","12.062","0.001","10.811","0.001","17.887","0.002","90","","90","","90","","2332.5","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-methoxy-6-(cyclopentyliminomethyl)phenolato]nickel(II)","","- C26 H32 N2 Ni O4 -","- C26 H32 N2 Ni O4 -","- C104 H128 N8 Ni4 O16 -","4","0.5","CF2085","Xiao-Fan Zhao","Bis[6-(cyclopentyliminomethyl)-2-methoxyphenolato]nickel(II)","Acta Crystallographica Section E","2007","63","3","m704","m705","10.1107/S160053680700596X","","","0.71073","MoKα","","0.0407","0.0281","","","0.0679","0.0754","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212524","11.0909","0.0001","8.1044","0.0001","32.0936","0.0004","90","","90","","90","","2884.74","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-5-phenyl-1H-pyrazole-3-carboxamide","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","1","CV2194","Yan-Qing Ge; Yong Xia; Fang Wei; Wen-Liang Dong; Bao-Xiang Zhao","<i>N</i>-Benzyl-5-phenyl-1<i>H</i>-pyrazole-3-carboxamide","Acta Crystallographica Section E","2007","63","3","o1186","o1187","10.1107/S1600536807004965","","","0.71073","MoKα","","0.065","0.0419","","","0.1192","0.1429","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212542","8.942","0.007","10.075","0.008","10.339","0.008","90","","90","","90","","931.4","1.3","293","2","293","2","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","iron(III) arsenate dihydrate","Scorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As8 Fe8 H32 O48 -","8","1","FI2026","Yan Xu; Guang-Peng Zhou; Xue-Fang Zheng","Redetermination of iron(III) arsenate dihydrate","Acta Crystallographica Section E","2007","63","3","i67","i69","10.1107/S1600536807005302","","","0.71073","MoKα","","0.0296","0.0244","","","0.0572","0.0593","","","","","","1.116","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2212554","20.331","0.003","10.919","0.0018","21.327","0.004","90","","90","","90","","4734.5","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5-dihydroxy-2-isobutyryl-4,6,6-tris(3-methyl-but-2-enyl)cyclohexa-2,4- dienone","","- C25 H36 O4 -","- C25 H36 O4 -","- C200 H288 O32 -","8","1","GG3075","Archer, Roland Peter; Tyrrell, Elizabeth; Singh, Kuldip","Colupulone","Acta Crystallographica Section E","2007","63","3","o1511","o1512","10.1107/S1600536807008860","","","0.71073","MoKα","","0.0745","0.0549","","","0.1215","0.1306","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212562","7.8904","0.0013","16.046","0.003","26.101","0.004","90","","90","","90","","3304.6","1","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-[4-(4-Fluorophenyl)-5-methyl-6-isoproylpyrimidin-2-yl]-N- methylmethanesulfonamide","","- C16 H20 F N3 O2 S -","- C16 H20 F N3 O2 S -","- C128 H160 F8 N24 O16 S8 -","8","1","HB2277","Xiao-Li Zhou; Jiang-Sheng Li; Wei Wang; Ying-Ying Zhang; Xiao-Peng Fan","<i>N</i>-[4-(4-Fluorophenyl)-5-methyl-6-isopropylpyrimidin-2-yl]-<i>N</i>-methylmethanesulfonamide","Acta Crystallographica Section E","2007","63","3","o1293","o1294","10.1107/S1600536807003650","","","0.71073","MoKα","","0.0738","0.0411","","","0.1106","0.1318","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212605","14.264","0.003","6.1442","0.0012","21.134","0.005","90","","90","","90","","1852.2","0.7","294","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-acetyl-1-naphtholato-κ^2^O,O')copper(II)","","- C24 H18 Cu O4 -","- C24 H18 Cu O4 -","- C96 H72 Cu4 O16 -","4","0.5","HK2206","Rayati, Saeed; Yaftian, Mohammad Reza; Khavasi, Hamid Reza","Bis(2-acetyl-1-naphtholato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2007","63","3","m898","m899","10.1107/S1600536807008161","","","0.71073","MoKα","","","0.0788","","","","0.2181","","","","","","1.101","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2212629","12.584","0.002","11.475","0.002","12.914","0.003","90","","90","","90","","1864.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(3R,8S)-[4,7-Diazoniadecane-3,8-diylbis(methyleneoxy)]disulfonate dihydrate","","- C10 H28 N2 O10 S2 -","- C10 H28 N2 O10 S2 -","- C40 H112 N8 O40 S8 -","4","0.5","LH2296","Bai, Guo-Yi; Zhang, Chen-Fang; Simpson, Jim; Chen, Yong; Peng, Hong-Wei","(2<i>R</i>,2'<i>S</i>)-2,2'-(Ethane-1,2-diyldiiminio)bis(butane-2,1-diyl) disulfate dihydrate","Acta Crystallographica Section E","2007","63","3","o1095","o1096","10.1107/S1600536807003480","","","0.71073","MoKα","","0.0521","0.0359","","","0.0919","0.1021","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212654","13.6125","0.0017","7.5417","0.0009","23.135","0.003","90","","90","","90","","2375.1","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(2,4-dioxopentan-3-ylidene-κO)-1-(4-methoxyphenyl)hydrazinato- κN^1^]copper(II)","","- C24 H26 Cu N4 O6 -","- C24 H26 Cu N4 O6 -","- C96 H104 Cu4 N16 O24 -","4","0.5","OM2076","Mac-Leod-Carey, Desmond A.; Bustos, Carlos; Schott, Eduardo; Alvarez-Thon, Luis; Fuentealba, Mauricio","Bis[2-(2,4-dioxopentan-3-ylidene-κ<i>O</i>)-1-(4-methoxyphenyl)hydrazinato-κ<i>N</i>^1^]copper(II)","Acta Crystallographica Section E","2007","63","3","m670","m672","10.1107/S1600536806053396","","","0.71073","MoKα","","0.0646","0.0447","","","0.1115","0.1218","","","","","","1.085","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212687","10.8879","0.0004","11.8128","0.0004","23.9654","0.0014","90","","90","","90","","3082.3","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Methoxyphenyl)diphenylphosphine","","- C19 H17 O P -","- C19 H17 O P -","- C152 H136 O8 P8 -","8","1","SG2134","Flower, Kevin R.; Miles, Philip J.; Pritchard, Robin G.","(4-Methoxyphenyl)diphenylphosphine","Acta Crystallographica Section E","2007","63","3","o1339","o1340","10.1107/S1600536807007271","","","0.71073","MoKα","","0.0597","0.0418","","","0.0937","0.104","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212690","11.0189","0.0019","4.8781","0.0009","21.677","0.004","90","","90","","90","","1165.2","0.4","100","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methylpropionohydrazide","","- C4 H10 N2 O -","- C4 H10 N2 O -","- C32 H80 N16 O8 -","8","1","SG2138","Sharon E. Engel; Gregory M. Ferrence","2-Methylpropionohydrazide","Acta Crystallographica Section E","2007","63","3","o1475","o1477","10.1107/S1600536807008896","","","0.71073","MoKα","","","0.0733","","","","0.1906","","","","","","1.118","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212733","8.574","0.002","9.83","0.003","24.68","0.007","90","","90","","90","","2080.1","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","WW2081","Rashid, Naghmana; Tahir, Muhammad K.; Kanwal, Shahnaz; Yusof, Nurdiyana M.; Yamin, Bohari M.","2-(4-Fluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","3","o1402","o1403","10.1107/S160053680700774X","","","0.71073","MoKα","","0.075","0.061","","","0.114","0.119","","","","","","1.28","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212743","7.2047","0.0013","26.101","0.004","12.141","0.002","90","","90","","90","","2283.1","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetraaquabis[4-(dimethylamino)benzoato-κO]manganese(II) dihydrate","","- C18 H32 Mn N2 O10 -","- C18 H32 Mn N2 O10 -","- C72 H128 Mn4 N8 O40 -","4","0.5","XU2210","Hökelek, Tuncer; Necefoğlu, Hacali","Tetraaquabis[4-(dimethylamino)benzoato-κ<i>O</i>]manganese(II) dihydrate","Acta Crystallographica Section E","2007","63","3","m821","m823","10.1107/S1600536807007799","","","1.54184","CuKα","","0.1065","0.0568","","","0.1526","0.1763","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212802","8.7405","0.0006","21.3242","0.0015","22.2434","0.0016","90","","90","","90","","4145.8","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Rizatriptan benzoate","N,N-dimethyl-3-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanaminium benzoate","","- C22 H25 N5 O2 -","- C22 H25 N5 O2 -","- C176 H200 N40 O16 -","8","1","BT2302","Krishnan Ravikumar; Balasubramanian Sridhar; Harihara Krishnan","Rizatriptan benzoate, a drug for the treatment of migraine headache","Acta Crystallographica Section E","2007","63","4","o1958","o1960","10.1107/S1600536807013323","","","0.71073","MoKα","","0.0624","0.0468","","","0.1165","0.128","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212804","10.792","0.002","10.6383","0.0019","12.518","0.002","90","","90","","90","","1437.2","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methanol","","- C5 H9 O5 P -","- C5 H9 O5 P -","- C40 H72 O40 P8 -","8","1","BX2068","Guo, Ming-Lin; Zang, Hong-Jun","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methanol","Acta Crystallographica Section E","2007","63","4","o1967","o1968","10.1107/S1600536807012986","","","0.71073","MoKα","","0.0453","0.0329","","","0.0819","0.0889","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212817","10.7076","0.001","10.044","0.001","23.949","0.002","90","","90","","90","","2575.6","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(3,5-Dimethylphenyl)-2,2-dimethylpropanamide","","- C13 H19 N O -","- C13 H19 N O -","- C104 H152 N8 O8 -","8","1","CI2305","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","<i>N</i>-(3,5-Dimethylphenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2007","63","4","o1945","o1946","10.1107/S1600536807012810","","","0.71073","MoKα","","0.2541","0.053","","","0.1244","0.1664","","","","","","0.933","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212851","8.9608","0.001","12.4784","0.0017","15.012","0.002","90","","90","","90","","1678.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methylphenyl)acetamide","","- C9 H11 N O -","- C9 H11 N O -","- C72 H88 N8 O8 -","8","1","DN2139","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","<i>N</i>-(2-Methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","4","o1977","o1978","10.1107/S1600536807012998","","","0.71073","MoKα","","0.1365","0.0697","","","0.1411","0.177","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212880","14.6743","0.0004","15.3957","0.0004","24.0968","0.0007","90","","90","","90","","5444","0.3","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7- diyldinitrilo)diethylidyne]diphenolato}(pyridine)cobalt(III) hexafluorophosphate","","- C27 H32 Co F6 N4 O2 P -","- C27 H32 Co F6 N4 O2 P -","- C216 H256 Co8 F48 N32 O16 P8 -","8","1","GW2004","Soraia Meghdadi; Daran, Jean-Claude; Amirnasr, Mehdi; Morshedi, Mahbod","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}(pyridine)cobalt(III) hexafluorophosphate","Acta Crystallographica Section E","2007","63","4","m982","m984","10.1107/S1600536807009464","","","0.71073","MoKα","","0.0899","0.0414","","","0.1019","0.1314","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212897","12.693","0.002","10.6205","0.0019","21.437","0.004","90","","90","","90","","2889.8","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine","","- C11 H18 Cl2 N4 -","- C11 H18 Cl2 N4 -","- C88 H144 Cl16 N32 -","8","1","HB2321","Xu, Yan-Jie; Deng, Yi; Wen, Fei; Zhang, Yan","4,6-Dichloro-<i>N</i>-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine","Acta Crystallographica Section E","2007","63","4","o2029","o2030","10.1107/S1600536807012421","","","0.71073","MoKα","","0.0803","0.0438","","","0.1031","0.126","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212909","11.2597","0.0013","18.703","0.002","19.849","0.002","90","","90","","90","","4180","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(dL-Methioninato-κ^2^N,O)(2,2',2''-triaminotriethylamine- κ^4^N,N',N'',N''')nickel(II) perchlorate dihydrate","","- C11 H32 Cl N5 Ni O8 S -","- C11 H32 Cl N5 Ni O8 S -","- C88 H256 Cl8 N40 Ni8 O64 S8 -","8","1","HG2118","Hai-Qiong Yu,; Ya-Mei Pei; Zhi-Gang Liu","(<small>DL</small>-Methioninato-κ^2^<i>N</i>,<i>O</i>)(2,2',2''-triaminotriethylamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate dihydrate","Acta Crystallographica Section E","2007","63","4","m1015","m1016","10.1107/S1600536806051804","","","0.71073","MoKα","","0.0755","0.068","","","0.1813","0.1898","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212927","10.4254","0.0009","7.9957","0.0007","27.826","0.002","90","","90","","90","","2319.5","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","phenyl(3-phenyloxiran-2-yl)methanone","phenyl 3-phenyloxiran-2-yl ketone","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","HK2208","Javeed H. Zaidi; Tahir Mehmood; Muhammad Zareef; Ghulam Qadeer; Wai-Yeung Wong","Phenyl 3-phenyloxiran-2-yl ketone","Acta Crystallographica Section E","2007","63","4","o1721","o1722","10.1107/S1600536807010409","","","0.71073","MoKα","","0.107","0.041","","","0.0878","0.1162","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212955","8.1505","0.0003","9.3471","0.0004","29.5889","0.0013","90","","90","","90","","2254.19","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Bromophenyl)pyridine-3-carboxamide","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C96 H72 Br8 N16 O8 -","8","1","LH2326","Percival, Darryl; Storey, John M. D.; Harrison, William T. A.","<i>N</i>-(2-Bromophenyl)pyridine-3-carboxamide","Acta Crystallographica Section E","2007","63","4","o1851","o1852","10.1107/S1600536807010513","","","0.71073","MoKα","","0.0706","0.0367","","","0.0894","0.0983","","","","","","0.941","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212958","31.393","0.018","25.527","0.017","7.8","0.005","90","","90","","90","","6251","7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridinium perchlorate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C224 H192 Cl16 N48 O96 -","16","2","LH2329","Rybakov, Victor B.; Babaev, Eugene V.; Sonneveld, Eduard J.; Zhukov, Sergei G.; Chernyshev, Vladimir V.","1-Methyl-2-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridinium perchlorate: a powder study","Acta Crystallographica Section E","2007","63","4","o1861","o1863","10.1107/S1600536807012354","","","1.54059","CuKα~1~","","","","","","","","","","2.105","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2212966","8.1957","0.0001","15.8652","0.0003","17.1653","0.0003","90","","90","","90","","2231.94","0.06","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Methyl-2-phenyl-1H-indole","","- C15 H13 N -","- C15 H13 N -","- C120 H104 N8 -","8","1","NC2030","Hökelek, Tuncer; Seferoğlu, Zeynel; Şahin, Ertan; Ertan, Nermin","1-Methyl-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section E","2007","63","4","o1963","o1964","10.1107/S1600536807012962","","","0.71073","MoKα","","0.0968","0.0605","","","0.1391","0.1574","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212998","13.9586","0.0005","6.0703","0.0002","33.3498","0.0012","90","","90","","90","","2825.82","0.17","100","0.1","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Bromophenyl)-3-(4-dimethylamino)prop-2-en-1-one","1-(3-Bromophenyl)-3-(4-dimethylamino)prop-2-en-1-one","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C136 H128 Br8 N8 O8 -","8","1","SG2150","P. S. Patil; Suchada Chantrapromma; Hoong-Kun Fun; S. M. Dharmaprakash","1-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2007","63","4","o1738","o1740","10.1107/S160053680701118X","","","0.71073","MoKα","","0.074","0.0456","","","0.1132","0.1341","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213055","12.0533","0.0005","13.0595","0.0006","26.0147","0.0011","90","","90","","90","","4095","0.3","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrachloridomanganate(II)","","- C12 H32 Cl4 Mn N2 -","- C12 H32 Cl4 Mn N2 -","- C96 H256 Cl32 Mn8 N16 -","8","1","WN2128","Clegg, William; Martin, Nicola C.","Bis(triethylammonium) tetrachloridomanganate(II)","Acta Crystallographica Section E","2007","63","4","m1151","m1151","10.1107/S1600536807012317","","","0.71073","MoKα","","0.0417","0.0381","","","0.0872","0.0895","","","","","","1.097","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213058","17.272","0.003","16.718","0.002","17.789","0.004","90","","90","","90","","5136.6","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[μ~2~-bis(diphenylphosphino)methane]di-μ~3~-bromo-di-μ~2~-bromo- tetrasilver(I)","","- C50 H44 Ag4 Br4 P4 -","- C50 H44 Ag4 Br4 P4 -","- C200 H176 Ag16 Br16 P16 -","4","0.5","XU2135","Xue-Hui Liu; Xi Liu; Bing Liu; Fa-Kun Zheng; Guo-Cong Guo","A centrosymmetric polymorph of bis[μ~2~-bis(diphenylphosphino)methane]di-μ~3~-bromo-di-μ~2~-bromo-tetrasilver(I)","Acta Crystallographica Section E","2007","63","4","m1029","m1030","10.1107/S1600536807005909","","","0.71073","MoKα","","0.164","0.066","","","0.147","0.196","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213073","8.9243","0.0005","13.4297","0.0007","20.2129","0.0011","90","","90","","90","","2422.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Bromophenyl)-N-methylnicotinamide","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C104 H88 Br8 N16 O8 -","8","1","ZL2007","Percival, Darryl; Storey, John M. D.; Harrison, William T. A.","<i>N</i>-(2-Bromophenyl)-<i>N</i>-methylnicotinamide","Acta Crystallographica Section E","2007","63","4","o1853","o1854","10.1107/S1600536807010707","","","0.71073","MoKα","","0.1076","0.0319","","","0.0448","0.05","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213075","10.9478","0.0018","12.688","0.002","19.479","0.003","90","","90","","90","","2705.7","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(5-bromidonicotinato)trimethyltin(IV)","","- C9 H14 Br N O3 Sn -","- C9 H14 Br N O3 Sn -","- C72 H112 Br8 N8 O24 Sn8 -","8","1","AT2242","Hong-Yun Wang; Han-Dong Yin; Da-Qi Wang","Aqua(5-bromidonicotinato)trimethyltin(IV)","Acta Crystallographica Section E","2007","63","5","m1226","m1227","10.1107/S1600536807014043","","","0.71073","MoKα","","0.0389","0.024","","","0.0545","0.062","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213095","7.2848","0.0003","19.9139","0.0007","20.0634","0.001","90","","90","","90","","2910.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Allyl-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1H-1,2,4- triazole-5(4H)-thione","","- C14 H13 N4 O2 S -","- C14 H13 N4 O2 S -","- C112 H104 N32 O16 S8 -","8","1","AT2265","Yavuz Köysal; Şamil Işık; Umut Salgın; Nesrin Gökhan","4-Allyl-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2007","63","5","o2462","o2462","10.1107/S1600536807017163","","","0.71073","MoKα","","0.0568","0.0421","","","0.116","0.1234","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213100","10.156","0.003","10.339","0.004","35.621","0.012","90","","90","","90","","3740","2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-N,N-Diethyl-3-hydroxy-3,5-diphenylpent-4-enamide","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","1","AT2270","Zhi-Fang Yu; Yan-Gang Li; Juan Li; Zhi-Min Zhao","(<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-3-hydroxy-3,5-diphenylpent-4-enamide","Acta Crystallographica Section E","2007","63","5","o2490","o2490","10.1107/S1600536807017515","","","0.71073","MoKα","","0.1405","0.0536","","","0.1449","0.2023","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213122","8.235","0.001","14.573","0.002","29.099","0.003","90","","90","","90","","3492.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dibromido{2,4-dichloro-6-[3- (dimethylammonio)propyliminomethyl]phenolato}zinc(II)","","- C12 H16 Br2 Cl2 N2 O Zn -","- C12 H16 Br2 Cl2 N2 O Zn -","- C96 H128 Br16 Cl16 N16 O8 Zn8 -","8","1","BH2090","Wang, Li-Hua; Li, Li-Zhong","Dibromido{2,4-dichloro-6-[3-(dimethylammonio)propyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2007","63","5","m1217","m1219","10.1107/S1600536807014201","","","0.71073","MoKα","","0.0871","0.0503","","","0.0978","0.1114","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213124","18.5808","0.0009","23.6715","0.0014","18.4205","0.0011","90","","90","","90","","8102","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) dichloride methanol hexasolvate","","- C42 H48 Cl2 Fe N6 O6 -","- C42 H48 Cl2 Fe N6 O6 -","- C336 H384 Cl16 Fe8 N48 O48 -","8","1","BH2092","Aparici Plaza, Luis; Baranowska, Katarzyna; Becker, Barbara","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) dichloride methanol hexasolvate","Acta Crystallographica Section E","2007","63","5","m1537","m1539","10.1107/S1600536807019873","","","0.71073","MoKα","","0.087","0.0575","","","0.1485","0.1644","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213158","14.3752","0.0009","11.3099","0.0007","37.302","0.002","90","","90","","90","","6064.6","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H7 Br Cl3 F O -","- C15 H7 Br Cl3 F O -","- C240 H112 Br16 Cl48 F16 O16 -","16","2","BT2309","V. Dhanasekaran; D. Gayathri; D. Velmurugan; K. Ravikumar; M. S. Karthikeyan","2-Bromo-3-(4-chlorophenyl)-1-(2,4-dichloro-5-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2060","o2061","10.1107/S1600536807013852","","","0.71073","MoKα","","0.0683","0.0389","","","0.0923","0.1065","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213164","9.46","0.001","20.194","0.003","9.496","0.001","90","","90","","90","","1814.1","0.4","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-N-(4-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C64 H56 Cl8 N16 O24 -","8","1","BT2318","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2-Chloro-<i>N</i>-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2335","o2336","10.1107/S160053680701567X","","","1.5418","CuKα","","0.0467","0.035","","","0.0935","0.101","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213166","10.585","0.002","9.262","0.004","18.848","0.009","90","","90","","90","","1847.8","1.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-(4-methylphenyl)-2-chloroacetamide","2-Chloro-N-(4-methylphenyl)acetamide","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","BT2320","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2-Chloro-<i>N</i>-(4-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2333","o2334","10.1107/S1600536807015164","","","1.5418","CuKα","","0.1167","0.0972","","","0.2634","0.2879","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213185","8.1933","0.0007","8.8144","0.0007","35.209","0.003","90","","90","","90","","2542.8","0.4","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[aquacopper(II)]-μ-[(E)-2-(4-oxopentan-2-ylideneamino)benzoato- κ^4^O,N,O':O''] monohydrate]","","- C12 H15 Cu N O5 -","- C12 H15 Cu N O5 -","- C96 H120 Cu8 N8 O40 -","8","1","BT2346","Minna Cao; Shao-Min Shi; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu","<i>catena</i>-Poly[[[aquacopper(II)]-μ-[(<i>E</i>)-2-(4-oxopentan-2-ylideneamino)benzoato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']] monohydrate]","Acta Crystallographica Section E","2007","63","5","m1494","m1494","10.1107/S1600536807019514","","","0.71073","MoKα","","0.0655","0.0474","","","0.1064","0.1243","","","","","","0.991","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213191","16.7613","0.0016","7.4192","0.0005","20.856","0.002","90","","90","","90","","2593.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Nitro-1-(phenylsulfonyl)-1H-indole","","- C14 H10 N2 O4 S -","- C14 H10 N2 O4 S -","- C112 H80 N16 O32 S8 -","8","1","BV2055","Roy, Sujata; Gribble, Gordon W.; Jasinski, Jerry P.","2-Nitro-1-(phenylsulfonyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2007","63","5","o2628","o2629","10.1107/S160053680701896X","","","0.7107","MoKα","","0.0726","0.0581","","","0.1172","0.1238","","","","","","1.155","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213270","10.655","0.002","9.999","0.003","23.275","0.009","90","","90","","90","","2479.7","1.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3,5-dichlorophenyl)-2,2,2-trimethylacetamide","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C88 H104 Cl16 N8 O8 -","8","1","DN2142","Gowda, B. Thimme; Kožíšek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut","<i>N</i>-(3,5-Dichlorophenyl)-2,2,2-trimethylacetamide","Acta Crystallographica Section E","2007","63","5","o2071","o2072","10.1107/S1600536807013980","","","0.71073","MoKα","","0.174","0.0941","","","0.1741","0.2058","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213277","9.69","0.0012","10.1287","0.0016","23.923","0.003","90","","90","","90","","2348","0.6","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,2-Trimethyl-N-(4-methylphenyl)acetamide","","- C12 H17 N O -","- C12 H17 N O -","- C96 H136 N8 O8 -","8","1","DN2155","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","2,2,2-Trimethyl-<i>N</i>-(4-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2327","o2328","10.1107/S1600536807015140","","","0.71073","MoKα","","0.0983","0.073","","","0.1828","0.2019","","","","","","1.231","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213279","9.6933","0.0006","10.115","0.001","23.542","0.001","90","","90","","90","","2308.2","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-2,2,2-trimethylacetamide","N-(4-chlorophenyl)-2,2,2-trimethylacetamide","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C88 H112 Cl8 N8 O8 -","8","1","DN2157","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(4-Chlorophenyl)-2,2,2-trimethylacetamide","Acta Crystallographica Section E","2007","63","5","o2329","o2330","10.1107/S1600536807015474","","","1.5418","CuKα","","0.0512","0.0419","","","0.1246","0.1326","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213356","14.7132","0.0009","6.1977","0.0004","25.362","0.002","90","","90","","90","","2312.7","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl 6-methoxy-2-naphthoate","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","HB2368","Yathirajan, H. S.; Bindya, S.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","Ethyl 6-methoxy-2-naphthoate","Acta Crystallographica Section E","2007","63","5","o2350","o2350","10.1107/S1600536807017977","","","0.71073","MoKα","","0.0533","0.0388","","","0.097","0.1027","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213368","13.308","0.0002","10.0043","0.0001","23.7968","0.0003","90","","90","","90","","3168.24","0.07","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2'-(5-Methyl-1<i>H</i>-indol-3-ylmethylene)benzenesulfonohydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C128 H120 N24 O16 S8 -","8","1","HB2390","Ali, Hapipah M.; Yusnita, Juahir; Ng, Seik Weng","2'-(5-Methyl-1<i>H</i>-indol-3-ylmethylene)benzenesulfonohydrazine","Acta Crystallographica Section E","2007","63","5","o2734","o2734","10.1107/S1600536807020065","","","0.71073","MoKα","","0.035","0.031","","","0.091","0.099","","","","","","1.01","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213378","13.341","0.002","15.34","0.003","15.725","0.003","90","","90","","90","","3218.1","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(η^5^-1-n-Butyl-2,3,4,5-tetramethylcyclopentadienyl)trichloridotitanium(IV)","","- C13 H21 Cl3 Ti -","- C13 H21 Cl3 Ti -","- C104 H168 Cl24 Ti8 -","8","1","HG2215","Su, Qing; Wu, Qiao-Lin; Ye, Ling; Mu, Ying","(η^5^-1-<i>n</i>-Butyl-2,3,4,5-tetramethylcyclopentadienyl)trichloridotitanium(IV)","Acta Crystallographica Section E","2007","63","5","m1448","m1449","10.1107/S1600536807016649","","","0.71073","MoKα","","0.0662","0.0457","","","0.1127","0.1204","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213407","12.6184","0.0018","11.0787","0.0016","23.074","0.003","90","","90","","90","","3225.6","0.8","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-1-phenylbenzothieno[3,2-d]imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione","","- C19 H13 N3 O2 S -","- C19 H13 N3 O2 S -","- C152 H104 N24 O16 S8 -","8","1","HK2230","Min-Hui Cao","3-Methyl-1-phenylbenzothieno[3,2-<i>d</i>]imidazo[1,2-<i>a</i>]pyrimidine-2,5(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","5","o2660","o2660","10.1107/S1600536807017576","","","0.71073","MoKα","","0.0768","0.0496","","","0.1069","0.1149","","","","","","0.923","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213428","15.1483","0.0008","10.8842","0.0005","32.5725","0.0015","90","","90","","90","","5370.5","0.4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate)","","- C25 H21 Cl2 N5 O9 Ru -","- C25 H21 Cl2 N5 O9 Ru -","- C200 H168 Cl16 N40 O72 Ru8 -","8","1","KP2096","Qvortrup, Katrine; McKenzie, Christine J.; Bond, Andrew D.","Aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate)","Acta Crystallographica Section E","2007","63","5","m1400","m1401","10.1107/S1600536807015504","","","0.71073","MoKα","","0.0896","0.0425","","","0.1006","0.117","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213459","9.8918","0.0003","10.3368","0.0004","40.9389","0.0015","90","","90","","90","","4186","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","","","bis(diphenylphosphino)methane","","- C25 H22 P2 -","- C25 H22 P2 -","- C200 H176 P16 -","8","1","LH2359","Burrow, Robert A.; Wouters, Felipe C.; Borges de Castro, Liérson; Peppe, Clovis","Redetermination of bis(diphenylphosphino)methane at 293(2) K","Acta Crystallographica Section E","2007","63","5","o2559","o2559","10.1107/S1600536807017679","","","0.71073","MoKα","","0.101","0.0489","","","0.1051","0.1202","","","","","","1.16","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213497","8.2205","0.0002","10.1243","0.0003","18.6848","0.0007","90","","90","","90","","1555.08","0.08","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","{2-Methylidene-3-[(phenylsulfanyl)methyl]but-3-en-1-ylsulfanyl}benzene","","- C18 H18 S2 -","- C18.002 H18 S2 -","- C72.008 H72 S8 -","4","0.5","OM2119","Sathiyanarayanan, K.; George Fernand, A.; Dhanasekaran, V.; Rathore, R. S.","{2-Methylidene-3-[(phenylsulfanyl)methyl]but-3-en-1-ylsulfanyl}benzene: flip-flop disorder","Acta Crystallographica Section E","2007","63","5","o2504","o2505","10.1107/S1600536807017680","","","0.71073","MoKα","","0.0533","0.0392","","","0.0937","0.1023","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213498","9.8609","0.0002","8.4986","0.0002","16.9639","0.0004","90","","90","","90","","1421.64","0.06","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,3,4-Tetrahydroquinoxaline","","- C8 H10 N2 -","- C8 H10 N2 -","- C64 H80 N16 -","8","1","OM2122","Pike, Robert D.; Dugan, Emily C.","1,2,3,4-Tetrahydroquinoxaline","Acta Crystallographica Section E","2007","63","5","o2772","o2773","10.1107/S1600536807020636","","","1.54178","CuKα","","0.0309","0.0299","","","0.086","0.0869","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213550","10.457","0.0001","10.452","0.0001","23.277","0.0004","90","","90","","90","","2544.1","0.06","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(cinnamato-κO)bis[2-(dimethylamino)ethanol-κ^2^N,O]copper(II)","","- C26 H36 Cu N2 O6 -","- C26 H36 Cu N2 O6 -","- C104 H144 Cu4 N8 O24 -","4","0.5","SJ2247","Tahir, Asif A.; Hamid, Mazhar; Mazhar, Muhammad; Molloy. Kieran C.","Bis(cinnamato-κ<i>O</i>)bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2007","63","5","m1243","m1245","10.1107/S1600536807013396","","","0.71073","MoKα","","0.054","0.0385","","","0.0994","0.1084","","","","","","1.145","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213589","19.718","0.005","15.994","0.004","20.097","0.005","90","","90","","90","","6338","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(triphenylphosphoranylidene)imminium di-μ-bromido-dibromidocuprate","","- C72 H60 Br4 Cu2 N2 P4 -","- C72 H60 Br4 Cu2 N2 P4 -","- C288 H240 Br16 Cu8 N8 P16 -","4","0.5","TK2143","Yakovenko, Andrey A.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.","Thermal disorder in the anion of bis(triphenylphosphoranylidene)iminium di-μ-bromido-bis[bromidocuprate(I)]","Acta Crystallographica Section E","2007","63","5","m1233","m1234","10.1107/S1600536807013578","","","0.71073","MoKα","","0.058","0.033","","","0.067","0.074","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213591","23.352","0.006","15.085","0.014","10.952","0.009","90","","90","","90","","3858","5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxy-4a-nitro-9-(phenylsulfonyl)-4,4a,9,9a-tetrahydro-1H-carbazol-2(3H)-one","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","TK2148","Kishbaugh, T. L. S.; Gribble, Gordon W.; Jasinski, Jerry P.","4-Methoxy-4a-nitro-9-(phenylsulfonyl)-4,4a,9,9a-tetrahydro-1<i>H</i>-carbazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","5","o2470","o2471","10.1107/S1600536807017448","","","0.71069","MoKα","","0.34","0.055","","","0.129","0.255","","","","","","0.93","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213602","10.7164","0.0001","8.134","0.0002","17.4336","0.0004","90","","90","","90","","1519.64","0.05","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromo-2-chloro-1-methoxy-benzene","","- C7 H6 Br Cl O -","- C7 H6 Br Cl O -","- C56 H48 Br8 Cl8 O8 -","8","1","WN2130","Song, Yang; Parkin, Sean; Lehmler, Hans-Joachim","4-Bromo-2-chloro-1-methoxybenzene","Acta Crystallographica Section E","2007","63","5","o2091","o2092","10.1107/S1600536807013372","","","0.71073","MoKα","","0.0285","0.0186","","","0.0392","0.0408","","","","","","0.956","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213625","9.4711","0.0014","13.1959","0.0016","17.773","0.004","90","","90","","90","","2221.3","0.7","295","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Nitrophenyl)pyrrolidine-2-carboxamide","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C88 H104 N24 O24 -","8","1","YA2040","Liu, Wei; Guo, Yan-Ling; Han, Cong; Cheng, Shao-Ling","1-(4-Nitrophenyl)pyrrolidine-2-carboxamide","Acta Crystallographica Section E","2007","63","5","o2778","o2779","10.1107/S1600536807020120","","","0.71073","MoKα","","0.092","0.048","","","0.091","0.123","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213641","12.615","0.003","9.564","0.003","21.792","0.006","90","","90","","90","","2629.2","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-N-phenylpiperazine-1-carbothioamide","","- C12 H17 N3 S -","- C12 H17 N3 S -","- C96 H136 N24 S8 -","8","1","AT2276","Huan-Mei Guo","4-Methyl-<i>N</i>-phenylpiperazine-1-carbothioamide","Acta Crystallographica Section E","2007","63","6","o2781","o2781","10.1107/S1600536807020855","","","0.71073","MoKα","","0.0882","0.0396","","","0.0938","0.1127","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213649","17.593","0.004","16.005","0.003","30.446","0.006","90","","90","","90","","8573","3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κN^3^)cadmium(II)]-μ- cyclohexane-1,4-dicarboxylato] dihydrate]","","- C16 H26 Cd N4 O6 -","- C16 H26 Cd N4 O6 -","- C256 H416 Cd16 N64 O96 -","16","2","AT2287","Yuan-Jing Li","<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II)]-μ-cyclohexane-1,4-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2007","63","6","m1654","m1655","10.1107/S1600536807022416","","","0.71073","MoKα","","0.0835","0.0538","","","0.1152","0.1273","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213659","16.8495","0.0009","7.232","0.0003","23.3405","0.0011","90","","90","","90","","2844.2","0.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3,5-Dibromo-2-hydroxybenzylideneamino)isoindole-1,3-dione","","- C15 H8 Br2 N2 O3 -","- C15 H8 Br2 N2 O3 -","- C120 H64 Br16 N16 O24 -","8","1","AT2298","Jing, Zuo-Liang; Li, Rui-Ning; Zhai, Jia-Qi","2-(3,5-Dibromo-2-hydroxybenzylideneamino)isoindole-1,3-dione","Acta Crystallographica Section E","2007","63","6","o3002","o3002","10.1107/S1600536807024804","","","0.7107","MoKα","","0.0624","0.0593","","","0.1249","0.1263","","","","","","1.201","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213697","10.214","0.001","6.8111","0.0004","28.336","0.001","90","","90","","90","","1971.3","0.2","303","2","303","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Potassium N-chlorobenzenesulfonamidate monohydrate","Potassium N-chlorobenzenesulfonamidate monohydrate","","- C6 H7 Cl K N O3 S -","- C6 H7 Cl K N O3 S -","- C48 H56 Cl8 K8 N8 O24 S8 -","8","1","BT2364","B. Thimme Gowda; Sabine Foro; Jozef Kožíšek; Hartmut Fuess","Potassium <i>N</i>-chlorobenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2007","63","6","m1688","m1688","10.1107/S1600536807024178","","","1.5418","CuKα","","0.1024","0.0459","","","0.1071","0.1229","","","","","","0.994","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213710","12.218","0.002","10.928","0.002","16.757","0.003","90","","90","","90","","2237.4","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(3-Pyridylmethyl)salicylamide","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","BX2076","Ke-Wei Lei; Jian-Li Lin; Xiao-hui Wen; Yun-Song Zhou","<i>N</i>-(3-Pyridylmethyl)salicylamide","Acta Crystallographica Section E","2007","63","6","o3007","o3007","10.1107/S1600536807022969","","","0.71073","MoKα","","0.0514","0.0468","","","0.1235","0.1276","","","","","","1.115","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213726","9.9667","0.0006","12.6544","0.0008","18.9142","0.0012","90","","90","","90","","2385.5","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7,7-Dimethyl-2-phenyl-6,7-dihydro-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin- 5-amine","","- C12 H14 N6 -","- C12 H14 N6 -","- C96 H112 N48 -","8","1","CI2379","Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung","7,7-Dimethyl-2-phenyl-6,7-dihydro-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine","Acta Crystallographica Section E","2007","63","6","o2796","o2796","10.1107/S1600536807021009","","","0.71073","MoKα","","0.0597","0.0506","","","0.1197","0.126","","","","","","1.108","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213730","8.2054","0.0016","9.1736","0.0018","17.846","0.004","90","","90","","90","","1343.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]nickel(II)]","","- C10 H6 N12 Ni -","- C10 H6 N12 Ni -","- C40 H24 N48 Ni4 -","4","0.5","CI2385","Liu, Ju-Tao; Fan, Sheng-Di","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]nickel(II)]","Acta Crystallographica Section E","2007","63","6","m1632","m1632","10.1107/S1600536807021976","","","0.71073","MoKα","","0.0663","0.0533","","","0.0993","0.1051","","","","","","1.198","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213753","10.9045","0.0013","18.509","0.002","21.228","0.003","90","","90","","90","","4284.5","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(benzoylmethyl)-4-[(2,4-dichlorobenzylidene)amino]-3-(2-thienylmethyl)- 4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","","- C22 H16 Cl2 N4 O2 S -","- C22 H16 Cl2 N4 O2 S -","- C176 H128 Cl16 N32 O16 S8 -","8","1","DN2175","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Ünver, Yasemin; Vázquez-López, Ezequiel M.","1-(Benzoylmethyl)-4-[(2,4-dichlorobenzylidene)amino]-3-(2-thienylmethyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","Acta Crystallographica Section E","2007","63","6","o2982","o2983","10.1107/S1600536807024701","","","0.71073","MoKα","","0.2328","0.0494","","","0.0945","0.131","","","","","","0.836","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213779","12.06","0.002","10.8025","0.0018","17.863","0.003","90","","90","","90","","2327.2","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis{2-[(E)-cyclopentyliminomethyl]-6-methoxyphenolato}copper(II)","","- C26 H32 Cu N2 O4 -","- C26 H32 Cu N2 O4 -","- C104 H128 Cu4 N8 O16 -","4","0.5","GK2077","Hou, Hai-Yun","Bis{2-[(<i>E</i>)-cyclopentyliminomethyl]-6-methoxyphenolato}copper(II)","Acta Crystallographica Section E","2007","63","6","m1766","m1766","10.1107/S1600536807023860","","","0.71073","MoKα","","0.0595","0.0394","","","0.0972","0.1077","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213782","11.964","0.002","7.7882","0.0016","33.893","0.007","90","","90","","90","","3158.1","1.1","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[diaqua(2,4-dihydroxybenzoato)cadmium(II)]-μ-2,4-dihydroxybenzoato]","","- C14 H14 Cd O10 -","- C14 H14 Cd O10 -","- C112 H112 Cd8 O80 -","8","1","HB2367","Wang, Zi-Liang; Wei, Lin-Heng; Niu, Ying-Peng","A one-dimensional coordination polymer: <i>catena</i>-poly[[diaqua(2,4-dihydroxybenzoato)cadmium(II)]-μ-2,4-dihydroxybenzoato]","Acta Crystallographica Section E","2007","63","6","m1639","m1639","10.1107/S160053680702243X","","","0.71073","MoKα","","0.032","0.0293","","","0.067","0.0685","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213784","8.44","0.0016","16.473","0.003","18.47","0.005","90","","90","","90","","2567.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac-2,7-bis(2-hydroxy-2-propyl)-trans-oxepane","","- C12 H24 O3 -","- C12 H24 O3 -","- C96 H192 O24 -","8","1","HB2377","Roberto Centore; Vincenzo Piccialli; Angela Tuzi","<i>rac</i>-2,7-Bis(2-hydroxy-2-propyl)-<i>trans</i>-oxepane","Acta Crystallographica Section E","2007","63","6","o2907","o2908","10.1107/S1600536807022428","","","0.71073","MoKα","","0.0985","0.0444","","","0.0843","0.1017","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213794","33.261","0.019","7.951","0.005","7.461","0.005","90","","90","","90","","1973","2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(1-acetyl-2-naphtholato)diaquamagnesium(II)","","- C24 H22 Mg O6 -","- C24 H22 Mg O6 -","- C96 H88 Mg4 O24 -","4","0.5","HB2401","Li-Hua Wang; Jie Yin; Xi-Shi Tai","Bis(1-acetyl-2-naphtholato)diaquamagnesium(II)","Acta Crystallographica Section E","2007","63","6","m1665","m1665","10.1107/S1600536807023677","","","0.71073","MoKα","","0.07","0.0521","","","0.109","0.1148","","","","","","1.056","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213798","15.614","0.002","12.4561","0.0018","16.87","0.003","90","","90","","90","","3281","0.9","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[aqua(2,2-bipyridyl)(μ~3~pyridine-3,4-dicarboxylato)manganese(II)] monohydrate]","","- C17 H15 Mn N3 O6 -","- C17 H15 Mn N3 O6 -","- C136 H120 Mn8 N24 O48 -","8","1","HB2406","Xiu-Mei Li; Yan-Ling Niu; Qing-Wei Wang; Bo Liu","Poly[[aqua(2,2-bipyridyl)(μ~3~-pyridine-3,4-dicarboxylato)manganese(II)] monohydrate]","Acta Crystallographica Section E","2007","63","6","m1737","m1738","10.1107/S1600536807023586","","","0.71073","MoKα","","0.0465","0.0341","","","0.0874","0.0923","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213809","10.4665","0.0007","15.778","0.001","23.439","0.002","90","","90","","90","","3870.7","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Bis[(2-hydroxy-3-methoxyphenyl)methylamino]benzene","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","HB2420","Chen, Yi-Feng; Ng, Seik Weng","1,2-Bis[(2-hydroxy-3-methoxyphenyl)methylamino]benzene","Acta Crystallographica Section E","2007","63","6","o2988","o2988","10.1107/S160053680702452X","","","0.71073","MoKα","","0.109","0.045","","","0.102","0.132","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213842","7.2306","0.0009","14.1058","0.0017","19.403","0.002","90","","90","","90","","1979","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","methyl 2,6-dimethoxybenzoate","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","HK2257","Ghulam Qadeer; Nasim Hasan Rama; Muhammad Azaad Malik; Madeleine Helliwell","Methyl 2,6-dimethoxybenzoate","Acta Crystallographica Section E","2007","63","6","o3027","o3027","10.1107/S1600536807025238","","","0.71073","MoKα","","0.0655","0.0368","","","0.0695","0.0756","","","","","","0.847","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213867","8.1122","0.0002","9.3093","0.0002","30.2818","0.0008","90","","90","","90","","2286.85","0.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Chlorophenyl)benzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","KP2106","B. Thimme Gowda; B. P. Sowmya; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","<i>N</i>-(2-Chlorophenyl)benzamide","Acta Crystallographica Section E","2007","63","6","o2906","o2906","10.1107/S1600536807022878","","","0.71073","MoKα","","0.0641","0.051","","","0.1488","0.1708","","","","","","1.106","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213872","14.921","0.007","8.885","0.005","18.954","0.01","90","","90","","90","","2513","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 2-(thiazol-2-ylcarbamoyl)benzoate","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C96 H80 N16 O24 S8 -","8","1","LH2365","Liang, Zu-Pei; Li, Jian; Wan, Ai-Yu; Wang, Hui-Qin","Methyl 2-[<i>N</i>-(thiazol-2-yl)carbamoyl]benzoate","Acta Crystallographica Section E","2007","63","6","o2819","","10.1107/S1600536807021241","","","0.71073","MoKα","","0.0729","0.0402","","","0.0943","0.1127","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213888","13.7628","0.0008","13.0656","0.0008","16.9752","0.001","90","","90","","90","","3052.5","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Hydrazinecarbonyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H15 N3 O8 S -","- C13 H15 N3 O8 S -","- C104 H120 N24 O64 S8 -","8","1","LH2389","Xie, Zhi-Yuan","4-(Hydrazinecarbonyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2007","63","6","o2956","o2956","10.1107/S1600536807023124","","","0.71073","Mokα","","0.0857","0.0574","","","0.1174","0.1296","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213899","16.2219","0.0007","8.5208","0.0002","18.1612","0.0007","90","","90","","90","","2510.31","0.16","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Fluoro-4-methyl-2-(3-pyridyl)-1,2,3,4-tetrahydroquinoline","","- C15 H15 F N2 -","- C15 H15 F N2 -","- C120 H120 F8 N16 -","8","1","LX2006","Vizcaya, Luis A.; Mora, Asiloé J.; Vargas, Leonor Y.; Kouznetsov, Vladimir V.; Bahsas, Ali","6-Fluoro-4-methyl-2-(3-pyridyl)-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2007","63","6","o2914","o2914","10.1107/S1600536807022222","","","0.50915","synchrotron","","0.0674","0.0629","","","0.1755","0.1783","","","","","","1.131","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213903","8.4797","0.0005","10.593","0.0005","13.8527","0.001","90","","90","","90","","1244.33","0.13","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","MG2024","Farrugia, Louis J.","Sodium tungstate dihydrate: a redetermination","Acta Crystallographica Section E","2007","63","6","i142","i142","10.1107/S1600536807023355","","","0.71073","MoKα","","0.023","0.0207","","","","0.0532","","","","","","1.256","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213914","11.208","0.005","7.89","0.003","31.212","0.013","90","","90","","90","","2760","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[2-(carboxylatomethyliminomethyl)-4-formylphenolato- κ^3^O,N,O']manganese(II) monohydrate","","- C10 H15 Mn N O8 -","- C10 H15 Mn N O8 -","- C80 H120 Mn8 N8 O64 -","8","1","NG2264","Jin-Hua Cai","Triaqua[2-(carboxylatomethyliminomethyl)-4-formylphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']manganese(II) monohydrate","Acta Crystallographica Section E","2007","63","6","m1631","m1631","10.1107/S1600536807021824","","","0.71073","MoKα","","0.0569","0.0392","","","0.0956","0.1003","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213920","7.1956","0.0006","16.832","0.0014","33.054","0.003","90","","90","","90","","4003.4","0.6","293","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Dimethoxyacetanilide","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C160 H208 N16 O48 -","16","2","OM2120","Lai, Qing-Lin; Zhao, Qing-Jie; Liu, Zheng; Shen, Jing-Shan","3,5-Dimethoxyacetanilide","Acta Crystallographica Section E","2007","63","6","o2782","o2782","10.1107/S1600536807020600","","","0.71073","MoKα","","0.0573","0.0421","","","0.1001","0.1082","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214046","10.7352","0.0002","14.9914","0.0002","20.4561","0.0003","90","","90","","90","","3292.12","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 1-benzyl-3-phenyl-1<i>H</i>-pyrazole-5-carboxylate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","1","BG2070","Xia, Yong; Dong, Wen-Liang; Ding, Xiao-Ling; Zhao, Bao-Xiang","Ethyl 1-benzyl-3-phenyl-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2007","63","7","o3298","o3298","10.1107/S1600536807030139","","","0.71073","MoKα","","0.0979","0.0437","","","0.0963","0.1196","","","","","","0.984","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214047","18.842","0.005","14.557","0.004","21.343","0.006","90","","90","","90","","5854","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[tetra-μ~2~-aqua-heptaaqua(μ~2~-benzene-1,3,5-tricarboxylato)- μ~3~-hydroxido-trinickel(II)sodium]-μ~4~-benzene-1,3,5-tricarboxylato] sesquihydrate]","","- C18 H32 Na Ni3 O25.5 -","- C18 H32 Na Ni3 O25.5 -","- C144 H256 Na8 Ni24 O204 -","8","1","BH2098","Yan, Ying; Li, Weihua; Hou, Baorong","catena-Poly[[[tetra-μ~2~-aqua-heptaaqua(μ~2~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trinickel(II)sodium]-μ~4~-benzene-1,3,5-tricarboxylato] sesquihydrate]","Acta Crystallographica Section E","2007","63","7","m1921","m1922","10.1107/S1600536807026359","","","0.71073","MoKα","","0.1506","0.0566","","","0.0846","0.1266","","","","","","0.889","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214108","9.145","0.001","13.215","0.001","15.993","0.001","90","","90","","90","","1932.8","0.3","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-Dimethylphenyl)acetamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","BX2089","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(2,6-Dimethylphenyl)acetamide","Acta Crystallographica Section E","2007","63","7","o3154","o3154","10.1107/S1600536807027031","","","1.5418","CuKα","","0.1036","0.0564","","","0.1569","0.182","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214118","16.0181","0.0008","15.329","0.0007","17.255","0.0008","90","","90","","90","","4236.8","0.3","295","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1'-(Butane-1,4-diyl)dipyridinium dibromidodiiodidomercurate(II)","","- C14 H18 Br2 Hg I2 N2 -","- C14 H18 Br2 Hg I2 N2 -","- C112 H144 Br16 Hg8 I16 N16 -","8","1","CI2389","Jia, Han-Dong; Li, Zhong-Jun; Niu, Yun-Yin; Liu, Xiu-Cun; Ng, Seik Weng","1,1'-(Butane-1,4-diyl)dipyridinium dibromidodiiodidomercurate(II)","Acta Crystallographica Section E","2007","63","7","m1895","m1895","10.1107/S160053680702747X","","","0.71073","MoKα","","0.058","0.035","","","0.082","0.091","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214122","12.997","0.003","12.525","0.003","19.386","0.004","90","","90","","90","","3155.8","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{2-[2-(Piperidin-1-yl)ethyliminomethyl]phenolato-κ^3^N,N',O}(thiocyanato- κN)nickel(II)","","- C15 H19 N3 Ni O S -","- C15 H19 N3 Ni O S -","- C120 H152 N24 Ni8 O8 S8 -","8","1","CI2396","Shou-Xing Wang","{2-[2-(Piperidin-1-yl)ethyliminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","7","m1946","m1946","10.1107/S1600536807029340","","","0.71073","MoKα","","0.0698","0.0427","","","0.0952","0.107","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214216","12.923","0.003","7.3253","0.0017","31.765","0.007","90","","90","","90","","3007","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Phenylbenzoyl)-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-a]pyrimidine","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","HB2428","Chu-Yi Yu; Xue-Ning Yuan; Zhi-Tang Huang","3-(4-Phenylbenzoyl)-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2007","63","7","o3064","o3064","10.1107/S1600536807025986","","","0.71073","MoKα","","0.0938","0.0441","","","0.0901","0.1063","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214217","14.644","0.005","7.597","0.003","22.711","0.008","90","","90","","90","","2526.6","1.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzoyl-4-methyl-5,6,7-tetrahydro-1,2,3-triazolo[1,5-a]pyrimidine","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C104 H112 N32 O8 -","8","1","HB2429","Chu-Yi Yu; Xue-Ning Yuan; Zhi-Tang Huang","3-Benzoyl-4-methyl-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2007","63","7","o3078","o3078","10.1107/S1600536807025998","","","0.71073","MoKα","","0.0826","0.0407","","","0.0963","0.1155","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214225","14.433","0.0004","16.0837","0.0004","16.4677","0.0005","90","","90","","90","","3822.75","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(5-aminoisoquinoline)diazidozinc(II)","","- C18 H16 N10 Zn -","- C18 H16 N10 Zn -","- C144 H128 N80 Zn8 -","8","1","HB2440","Zhi-Xin Miao; Min Shao; Ming-Xing Li","Bis(5-aminoisoquinoline)diazidozinc(II)","Acta Crystallographica Section E","2007","63","7","m1808","m1808","10.1107/S1600536807026700","","","0.71073","MoKα","","0.0459","0.0293","","","0.068","0.0765","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214227","18.4654","0.0003","15.2416","0.0002","28.8619","0.0005","90","","90","","90","","8123","0.2","293","2","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","[N-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2-)- κ^2^S,S']bis(triphenylphosphine-κP)nickel(II)","","- C43 H33 Cl2 N Ni O2 P2 S3 -","- C43 H33 Cl2 N Ni O2 P2 S3 -","- C344 H264 Cl16 N8 Ni8 O16 P16 S24 -","8","1","HB2442","Novais, Celice; Guilardi, Silvana; Machado Jr, Iterlandes; Oliveira, Marcelo R. L.","[<i>N</i>-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphine-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2007","63","7","m1981","m1982","10.1107/S1600536807029844","","","0.71073","MoKα","","","0.0466","","","","0.1235","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214236","16.885","0.002","7.7823","0.0011","21.974","0.003","90","","90","","90","","2887.5","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione N,N-dimethylformamide solvate","","- C11 H8 Cl4 N2 O4 -","- C11 H8 Cl4 N2 O4 -","- C88 H64 Cl32 N16 O32 -","8","1","HB2456","Li, Jian","4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2007","63","7","o3333","o3333","10.1107/S1600536807030656","","","0.71073","MoKα","","0.044","0.0353","","","0.0885","0.0946","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214246","7.5298","0.0012","13.268","0.002","33.912","0.005","90","","90","","90","","3388","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II)","","- C18 H21 N5 Ni O -","- C18 H21 N5 Ni O -","- C144 H168 N40 Ni8 O8 -","8","1","HG2245","Zhou, Zhi; Xiao, Zun-Hong","Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II)","Acta Crystallographica Section E","2007","63","7","m2012","m2012","10.1107/S1600536807030930","","","0.71073","MoKα","","0.0746","0.0386","","","0.0824","0.0965","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214286","8.1416","0.0009","12.7121","0.001","20.7789","0.0013","90","","90","","90","","2150.6","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole","","- C10 H8 N4 O4 -","- C10 H8 N4 O4 -","- C80 H64 N32 O32 -","8","1","KP2111","Wagner, Paweł; Kubicki, Maciej","2-Methyl-4-nitro-1-(4-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2007","63","7","o3083","o3083","10.1107/S1600536807026244","","","0.71073","MoKα","","0.0666","0.0383","","","0.0827","0.0986","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214312","17.624","0.002","7.2013","0.0014","34.853","0.003","90","","90","","90","","4423.4","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(2-hydroxyethyliminomethyl)-6-methoxyphenolato-κ^2^N^2^,O^1^]zinc(II)","","- C20 H24 N2 O6 Zn -","- C20 H24 N2 O6 Zn -","- C160 H192 N16 O48 Zn8 -","8","1","LH2415","Jian-Fang Dong; Lian-Zhi Li; Wen-Jian Yu; Hui Cui; Da-Qi Wang","Bis[2-(2-hydroxyethyliminomethyl)-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^]zinc(II)","Acta Crystallographica Section E","2007","63","7","m1992","m1992","10.1107/S1600536807030206","","","0.71073","MoKα","","0.111","0.0777","","","0.1604","0.1701","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214314","9.6762","0.0007","8.0284","0.0006","31.515","0.002","90","","90","","90","","2448.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-Ferrocenylaniline","","- C16 H15 Fe N -","- C16 H15 Fe N -","- C128 H120 Fe8 N8 -","8","1","LH2417","Danielle M. Bequeath; Matthias Zeller; William J. Karnofel; Courtney L. Hoch; Larry S. Curtin","<i>p</i>-Ferrocenylaniline","Acta Crystallographica Section E","2007","63","7","m1866","m1867","10.1107/S160053680702764X","","","0.71073","MoKα","","0.0462","0.044","","","0.0941","0.0951","","","","","","1.31","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214333","16.0781","0.0007","9.8406","0.0004","22.2201","0.0008","90","","90","","90","","3515.6","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Naphthylmethyl N-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate","","- C19 H17 N3 S2 -","- C19 H17 N3 S2 -","- C152 H136 N24 S16 -","8","1","LW2018","How, Fiona N.-F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir","2-Naphthylmethyl <i>N</i>-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate","Acta Crystallographica Section E","2007","63","7","o3135","o3136","10.1107/S1600536807025652","","","0.71073","MoKα","","0.1306","0.0731","","0.211","0.1819","0.211","","","","","","0.9178","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214334","16.705","0.003","5.5968","0.001","37.73","0.007","90","","90","","90","","3527.5","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1E)-5-Amino-1,5-bis[4-(methylsulfanyl)phenyl]pent-1-en-3-one","","- C19 H21 N O S2 -","- C19 H21 N O S2 -","- C152 H168 N8 O8 S16 -","8","1","LW2020","Harrison, William T. A.; Sarojini, B. K.; Bindya, S.; Narayana, B.; Yathirajan, H. S.","(1<i>E</i>)-5-Amino-1,5-bis[4-(methylsulfanyl)phenyl]pent-1-en-3-one","Acta Crystallographica Section E","2007","63","7","o3142","o3142","10.1107/S1600536807026049","","","0.71073","MoKα","","0.1322","0.0533","","","0.12","0.1494","","","","","","0.914","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214340","6.1458","0.0003","8.2749","0.0004","24.2995","0.0011","90","","90","","90","","1235.77","0.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","mesna","Sodium 2-mercaptoethanesulfonate","","- C2 H5 Na O3 S2 -","- C2 H5 Na O3 S2 -","- C16 H40 Na8 O24 S16 -","8","1","LX2014","Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio","Sodium 2-mercaptoethanesulfonate (mesna)","Acta Crystallographica Section E","2007","63","7","o1796","o1796","10.1107/S1600536807025688","","","1.5418","CuKα","","0.033","0.0318","","","0.0914","0.0927","","","","","","1.116","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214381","11.9729","0.0018","16.584","0.002","22.581","0.004","90","","90","","90","","4483.7","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-s-triazine","","- C19 H36 Cl N5 -","- C19 H36 Cl N5 -","- C152 H288 Cl8 N40 -","8","1","RN2026","Fan-Yong Yan","2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-<i>s</i>-triazine","Acta Crystallographica Section E","2007","63","7","o3327","o3327","10.1107/S1600536807030334","","","0.71073","MoKα","","0.1263","0.0489","","","0.1159","0.1633","","","","","","1.038","","","","has coordinates,has disorder","176787","2020-10-21","18:00:00",""
"2214397","10.0338","0.0007","11.5819","0.0008","34.499","0.003","90","","90","","90","","4009.1","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-5-[(4-chlorobenzylidene)amino]-1-[2,6-dichloro-4- (trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile","","- C18 H7 Br Cl3 F3 N4 -","- C18 H7 Br Cl3 F3 N4 -","- C144 H56 Br8 Cl24 F24 N32 -","8","1","TK2157","Yu, Xiao-Chun; Li, Shu-Yan; Zhong, Ping","4-Bromo-5-[(4-chlorobenzylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2007","63","7","o3098","o3098","10.1107/S1600536807026256","","","0.71073","MoKα","","0.095","0.058","","","0.158","0.186","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214422","15.7231","0.0013","12.63","0.002","16.522","0.002","90","","90","","90","","3281","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[[aqua(2,2-bipyridine)iron(II)]-μ~3~-pyridine-3,4-dicarboxylato] monohydrate]","","- C17 H15 Fe N3 O6 -","- C17 H15 Fe N3 O6 -","- C136 H120 Fe8 N24 O48 -","8","1","WM2122","Hao, Lu-Jiang; Yu, Tong-Li","Poly[[[aqua(2,2-bipyridine)iron(II)]-μ~3~-pyridine-3,4-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2007","63","7","m1926","m1926","10.1107/S160053680702867X","","","0.71073","MoKα","","0.0469","0.0369","","","0.1033","0.1085","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214479","10.4331","0.0014","15.7674","0.0016","23.398","0.002","90","","90","","90","","3849","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6'-Dimethoxy-2,2'-(o-phenylenediimino)diphenol","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","AT2321","Liu, Y.-F.; Xia, H.-T.; Yang, S.-P.; Wang, D.-Q.","6,6'-Dimethoxy-2,2'-(<i>o</i>-phenylenediimino)diphenol","Acta Crystallographica Section E","2007","63","8","o3562","o3562","10.1107/S1600536807027778","","","0.71073","MoKα","","0.1271","0.0465","","","0.079","0.0961","","","","","","0.811","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214514","16.854","0.005","6.78","0.002","24.749","0.008","90","","90","","90","","2828.1","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5,6,7-Tetrachloro-2-phenylisoindoline-1,3-dione","","- C14 H5 Cl4 N O2 -","- C14 H5 Cl4 N O2 -","- C112 H40 Cl32 N8 O16 -","8","1","BI2206","Li, Jian","4,5,6,7-Tetrachloro-2-phenylisoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","8","o3515","o3515","10.1107/S1600536807034290","","","0.71073","MoKα","","0.0499","0.0424","","","0.1092","0.1171","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214541","11.7563","0.0004","16.3925","0.0005","19.7019","0.0007","90","","90","","90","","3796.9","0.2","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N')(μ~2~-terephthalato- κ^2^O:O')zinc(II)]","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","BT2419","E. Yang; Xu-Chun Song; You-Dan Lin; Shuang-Zhen Shen","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')(μ~2~-terephthalato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]","Acta Crystallographica Section E","2007","63","8","m2067","m2067","10.1107/S1600536807031625","","","0.71073","MoKα","","","0.0356","","","0.0891","0.0955","","","","","","0.937","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214542","14.306","0.002","8.625","0.002","18.317","0.004","90","","90","","90","","2260.1","0.8","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)acetamide","","- C8 H4 Cl5 N O -","- C8 H4 Cl5 N O -","- C64 H32 Cl40 N8 O8 -","8","1","BT2420","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)acetamide","Acta Crystallographica Section E","2007","63","8","o3391","o3391","10.1107/S160053680703187X","","","1.5418","CuKα","","0.0606","0.0554","","","0.1497","0.1556","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214543","20.2386","0.0005","15.1259","0.0006","25.6234","0.001","90","","90","","90","","7844","0.5","108","2","108","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis(μ-diethyldithiocarbamato)bis[(η^5^- pentamethylcyclopentadienyl)iridium(III)] bis(perchlorate)","","- C30 H50 Cl2 Ir2 N2 O8 S4 -","- C30 H50 Cl2 Ir2 N2 O8 S4 -","- C240 H400 Cl16 Ir16 N16 O64 S32 -","8","1","BT2421","Michael Scharwitz; Iris M. Oppel; William S. Sheldrick","Bis(μ-diethyldithiocarbamato)bis[(η^5^-pentamethylcyclopentadienyl)iridium(III)] bis(perchlorate)","Acta Crystallographica Section E","2007","63","8","m2065","m2066","10.1107/S1600536807031868","","","0.71073","MoKα","","0.0425","0.0266","","","0.0581","0.0621","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214546","14.1439","0.0003","16.606","0.0003","25.8952","0.0006","90","","90","","90","","6082.1","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<it>N</it>-(2-Aminoethyl)-<it>N</it>-(2-{(<it>E</it>)-[9-(diethoxymethyl)-\ 1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II) bis(perchlorate)","","- C24 H34 Cl2 Cu N6 O10 -","- C24 H34 Cl2 Cu N6 O10 -","- C192 H272 Cl16 Cu8 N48 O80 -","8","1","BT2424","Keypour, Hassan; Goudarziafshar, Hamid; Brisdon, Alan K.; Pritchard, Robin G.","[<i>N</i>-(2-Aminoethyl)-<i>N</i>-(2-{(<i>E</i>)-[9-(diethoxymethyl)-1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2007","63","8","m2158","m2159","10.1107/S1600536807032953","","","0.71073","MoKα","","0.1381","0.0742","","","0.1988","0.2555","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214566","7.8086","0.0016","16.342","0.003","18.316","0.004","90","","90","","90","","2337.3","0.8","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Potassium (4-carboxypyridine-2,6-dicarboxylato)dioxidovanadate(V) monohydrate","","- C8 H5 K N O9 V -","- C8 H5 K N O9 V -","- C64 H40 K8 N8 O72 V8 -","8","1","CF2108","Holder, Alvin A.; VanDerveer, Don","Potassium (4-carboxypyridine-2,6-dicarboxylato)dioxidovanadate(V) monohydrate","Acta Crystallographica Section E","2007","63","8","m2051","m2052","10.1107/S1600536807031418","","","0.7107","MoKα","","0.0346","0.0323","","","0.0771","0.0788","","","","","","1.152","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214571","8.6247","0.0013","16.777","0.003","22.95","0.004","90","","90","","90","","3320.8","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6-Dibenzyltetrazolo[1,5-<i>a</i>]pyrimidine-5,7(4<i>H</i>,6<i>H</i>)-dione","","- C18 H15 N5 O2 -","- C18 H15 N5 O2 -","- C144 H120 N40 O16 -","8","1","CF2114","Baruah, Pranjal K.; Gonnade, Rajesh G.; Sanjayan, Gangadhar J.","6,6-Dibenzyltetrazolo[1,5-<i>a</i>]pyrimidine-5,7(4<i>H</i>,6<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","8","o3550","o3550","10.1107/S1600536807034162","","","0.71073","MoKα","","0.1005","0.0515","","","0.1041","0.1217","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214586","13.6706","0.0002","8.2336","0.0001","27.7541","0.0004","90","","90","","90","","3123.95","0.07","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetra-μ-acetato-bis[(benzofuro[3,2-<i>c</i>]pyridine)copper(II)]","","- C30 H26 Cu2 N2 O10 -","- C30 H26 Cu2 N2 O10 -","- C120 H104 Cu8 N8 O40 -","4","0.5","CI2409","Vrábel, Viktor; Švorc, Ľubomír; Juristová, Nadežda; Miklovič, Jozef; Kožíšek, Jozef","Tetra-μ-acetato-bis[(benzofuro[3,2-<i>c</i>]pyridine)copper(II)]","Acta Crystallographica Section E","2007","63","8","m2112","m2113","10.1107/S1600536807032242","","","0.71073","MoKα","","0.0454","0.0342","","","0.091","0.1032","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214587","7.285","0.002","11.012","0.004","20.646","0.003","90","","90","","90","","1656.3","0.8","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1' sulfonyldiimidazole","","- C6 H6 N4 O2 S -","- C6 H6 N4 O2 S -","- C48 H48 N32 O16 S8 -","8","1","CI2410","Patel, Urmila H.; Patel, Bharat D.; Modh, Rajesh D.; Patel, Pinal D.","1,1'-Sulfonyldiimidazole","Acta Crystallographica Section E","2007","63","8","o3598","o3599","10.1107/S160053680703543X","","","0.71073","MoKα","","0.0591","0.0352","","","0.0741","0.0805","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214589","12.7918","0.0017","12.2489","0.0015","22.595","0.003","90","","90","","90","","3540.3","0.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-(2-Aminothiazol-3-ium-4-yl)-2-[2-(<i>tert</i>-butoxycarbonyl)- isopropoxyimino]acetate monohydrate","","- C13 H21 N3 O6 S -","- C13 H21 N3 O6 S -","- C104 H168 N24 O48 S8 -","8","1","CI2412","Xiang-Wei Cheng","(<i>Z</i>)-2-(2-Aminothiazol-3-ium-4-yl)-2-[2-(<i>tert</i>-butoxycarbonyl)isopropoxyimino]acetate monohydrate","Acta Crystallographica Section E","2007","63","8","o3582","o3582","10.1107/S1600536807034939","","","0.7107","MoKα","","0.0439","0.0415","","","0.0893","0.0906","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214617","14.5462","0.0005","25.5247","0.0009","41.5719","0.0012","90","","90","","90","","15435.1","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-Oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-\ bis[(η^5^-pentamethylcyclopentadienyl)(trifluoromethanesulfonato-\ κ<i>O</i>)rhodium(III)]","","- C24 H30 F6 O10 Rh2 S2 -","- C24 H30 F6 O10 Rh2 S2 -","- C480 H600 F120 O200 Rh40 S40 -","20","2.5","DN2210","Govindaswamy, Padavattan; Süss-Fink, Georg; Therrien, Bruno","μ-Oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^5^-pentamethylcyclopentadienyl)(trifluoromethanesulfonato-κ<i>O</i>)rhodium(III)]","Acta Crystallographica Section E","2007","63","8","m2046","m2046","10.1107/S1600536807031790","","","0.71073","MoKα","","0.0751","0.0514","","","0.1287","0.1388","","","","","","0.921","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214626","6.8261","0.0008","13.9705","0.0016","16.7173","0.0019","90","","90","","90","","1594.2","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-\ κ^2^N^3^,O^4^)cobalt(II)","","- C12 H14 Co N4 O10 -","- C12 H14 Co N4 O10 -","- C48 H56 Co4 N16 O40 -","4","0.5","DN2222","Chong-Bo Liu; Xu-Liang Nie; Hui-Liang Wen","Diaquabis(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II)","Acta Crystallographica Section E","2007","63","8","m2244","m2244","10.1107/S1600536807036744","","","0.71073","MoKα","","0.037","0.028","","","0.0768","0.0839","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214642","18.113","0.005","16.14","0.009","12.146","0.008","90","","90","","90","","3551","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-tert-Butyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indole","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C160 H176 N16 O16 S8 -","8","1","FL2137","Kishbaugh, Tara L. S.; Gribble, Gordon W.; Jasinski, Jerry P.","2-<i>tert</i>-Butyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-<i>b</i>]indole","Acta Crystallographica Section E","2007","63","8","o3409","o3409","10.1107/S1600536807032412","","","0.71069","MoKα","","0.193","0.0618","","","0.2041","0.283","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214712","15.191","0.0006","14.5509","0.0006","15.4249","0.0006","90","","90","","90","","3409.6","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(Z)-(<i>n</i>-Butylamino)(2-furyl)methylene]-3-methyl-1-phenyl- 1H-pyrazol-5(4H)-one","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C152 H168 N24 O16 -","8","1","HG2259","Heng-Qiang Zhang; Jin-Zhou Li; Yong Zhang; Dan Zhang; Zhan-Hua Su","4-[(<i>Z</i>)-(<i>n</i>-Butylamino)(2-furyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2007","63","8","o3536","o3536","10.1107/S1600536807034216","","","0.71073","MoKα","","0.1025","0.0468","","","0.1017","0.1282","","","","","","1.004","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214772","9.55","0.002","10.303","0.002","17.695","0.004","90","","90","","90","","1741.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chloro-acetylbenzofuran","1-(1-Benzofuran-2-yl)-2-chloroethanone","","- C10 H7 Cl O2 -","- C10 H7 Cl O2 -","- C80 H56 Cl8 O16 -","8","1","KP2118","Anna Kozakiewicz; Andrzej Prewysz-Kwinto; Andrzej Wojtczak","1-(1-Benzofuran-2-yl)-2-chloroethanone","Acta Crystallographica Section E","2007","63","8","o3469","o3469","10.1107/S1600536807033351","","","0.71073","MoKα","","0.1595","0.0862","","","0.1392","0.1649","","","","","","1.238","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214775","10.09","0.002","7.8736","0.0017","18.379","0.004","90","","90","","90","","1460.1","0.5","294","2","294","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","p-dibenzylbenzene","1,4-dibenzylbenzene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","0.5","LH2423","Ying-Jun Cui; Gang Li; Fen-Xia Ren; Zhong-Yu Duan; Wen-Jun Zhang","1,4-Dibenzylbenzene","Acta Crystallographica Section E","2007","63","8","o3393","o3393","10.1107/S1600536807031236","","","0.71073","MoKα","","0.0727","0.0402","","","0.0925","0.1093","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214803","13.3641","0.0005","11.4457","0.0004","8.5211","0.0003","90","","90","","90","","1303.4","0.08","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dipotassium hexafluoridozirconate(IV) hydrogen fluoride","","- F14 H2 K4 Zr2 -","- F14 H2 K4 Zr2 -","- F56 H8 K16 Zr8 -","4","0.5","MG2031","Gerasimenko, A. V.; Didenko, N. A.; Kavun, V. Ya.","Dipotassium hexafluoridozirconate(IV) hydrogen fluoride, K~2~ZrF~6~·HF","Acta Crystallographica Section E","2007","63","8","i171","i171","10.1107/S160053680703615X","","","0.71073","MoKα","","0.0342","0.0304","","","0.0699","0.0712","","","","","","1.21","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2214820","14.4793","0.0002","8.052","0.0001","19.1935","0.0004","90","","90","","90","","2237.72","0.06","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dimethylbenzene-1,3-disulfonamide","","- C8 H12 N2 O4 S2 -","- C8 H12 N2 O4 S2 -","- C64 H96 N16 O32 S16 -","8","1","OM2140","B. Thimme Gowda; K. S. Babitha; Miroslav Tokarčík; Jozef Kožíšek; Hartmut Fuess","4,6-Dimethylbenzene-1,3-disulfonamide","Acta Crystallographica Section E","2007","63","8","o3361","o3361","10.1107/S1600536807031297","","","0.71073","MoKα","","0.0421","0.0322","","","0.096","0.0992","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214832","7.9501","0.0007","11.4298","0.0009","13.9491","0.0012","90","","90","","90","","1267.53","0.19","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Azobis(6-methyl-5-chloropyridine)","(E)-1,2-Bis(5-chloro-6-methylpyridin-2-yl)diazene","","- C12 H10 Cl2 N4 -","- C12 H10 Cl2 N4 -","- C48 H40 Cl8 N16 -","4","0.5","PV2018","Odabaşoğlu, Mustafa; Arslan, Figen; Ölmez, Halis; Büyükgüngör, Orhan","(<i>E</i>)-1,2-Bis(5-chloro-6-methylpyridin-2-yl)diazene","Acta Crystallographica Section E","2007","63","8","o3654","o3654","10.1107/S1600536807036793","","","0.71073","MoKα","","0.0626","0.0534","","","0.1648","0.1713","","","","","","1.088","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2214836","13.3013","0.0007","11.5852","0.0006","19.9867","0.001","90","","90","","90","","3079.9","0.3","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3a,6a-Dipropoxycarbonylglycoluril","dipropyl 2,5-dioxoperhydroimidazo[4,5-d]imidazole-3a,6a-dicarboxylate","","- C12 H18 N4 O6 -","- C12 H18 N4 O6 -","- C96 H144 N32 O48 -","8","1","RK2021","Wang, Yu-Zhou; Gao, Meng; Cao, Li-Ping","3a,6a-Dipropoxycarbonylglycoluril (dipropyl 2,5-dioxoperhydroimidazo[4,5-<i>d</i>]imidazole-3a,6a-dicarboxylate)","Acta Crystallographica Section E","2007","63","8","o3419","o3419","10.1107/S1600536807032485","","","0.71073","MoKα","","0.0726","0.0558","","","0.1418","0.1516","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214860","11.823","0.002","18.307","0.004","31.517","0.006","90","","90","","90","","6822","2","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4,4'-bipyridinium) bis(μ~5~-hydrogen phosphate)pentakis(μ~2~-oxido)decaoxidopentamolybdate dihydrate","","- C20 H26 Mo5 N4 O25 P2 -","- C20 H26 Mo5 N4 O25 P2 -","- C160 H208 Mo40 N32 O200 P16 -","8","1","SI2017","Wu-Hua Chen; Yong Xiang; Zhan-Feng Chen; Qiu-Mu Wu; Qing-Xin Zeng","Bis(4,4'-bipyridinium) bis(μ~5~-hydrogen phosphate)pentakis(μ~2~-oxido)decaoxidopentamolybdate dihydrate","Acta Crystallographica Section E","2007","63","8","m2245","m2246","10.1107/S1600536807033119","","","0.71073","MoKα","","0.0256","0.0204","","","0.0493","0.0517","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214873","11.4637","0.0009","11.9265","0.0009","14.9016","0.0012","90","","90","","90","","2037.4","0.3","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trans-Bis[2-(2-bromobenzamido)-1,3-oxazoline(1-)-κ^2^N^1^,O]copper(II)","","- C20 H16 Br2 Cu N4 O4 -","- C20 H16 Br2 Cu N4 O4 -","- C80 H64 Br8 Cu4 N16 O16 -","4","0.5","TK2176","Yu-Wei Chang; Jing-Jun Yang","<i>trans</i>-Bis[2-(2-bromobenzamido)-1,3-oxazoline(1{-})-κ^2^<i>N</i>^1^,<i>O</i>]copper(II)","Acta Crystallographica Section E","2007","63","8","m2126","m2126","10.1107/S1600536807033272","","","0.71073","MoKα","","0.059","0.046","","","0.102","0.105","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214898","14.303","0.001","6.4799","0.0007","25.113","0.002","90","","90","","90","","2327.5","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","p-Methoxyphenyl benzoate","4-Methoxyphenyl benzoate","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","1","WN2169","B. Thimme Gowda; Sabine Foro; Roopa Nayak; Hartmut Fuess","4-Methoxyphenyl benzoate","Acta Crystallographica Section E","2007","63","8","o3507","o3507","10.1107/S160053680703406X","","","1.5418","CuKα","","0.0374","0.0332","","","0.092","0.0954","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214941","9.9032","0.0007","12.0663","0.0008","23.984","0.002","90","","90","","90","","2866","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-methyl-4-hydroxy-4'-propylazobenzene","(<i>E</i>)-2-Methyl-4-[(4-propylphenyl)diazenyl]phenol","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","AT2363","Albayrak, Çiğdem; Gümrükçüoğlu, İsmail Erdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-Methyl-4-[(4-propylphenyl)diazenyl]phenol","Acta Crystallographica Section E","2007","63","9","o3733","o3733","10.1107/S1600536807038561","","","0.71073","MoKα","","0.1162","0.0532","","","0.1507","0.1767","","","","","","0.908","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215020","5.9466","0.0005","9.8323","0.0008","41.559","0.003","90","","90","","90","","2429.9","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(2-chlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C104 H72 Cl16 N8 O8 -","8","1","BT2470","B. Thimme Gowda; Sabine Foro; B. P. Sowmya; Hartmut Fuess","2-Chloro-<i>N</i>-(2-chlorophenyl)benzamide","Acta Crystallographica Section E","2007","63","9","o3789","o3789","10.1107/S1600536807039268","","","0.71073","MoKα","","0.0887","0.0777","","","0.1515","0.156","","","","","","1.287","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215037","9.7198","0.0009","12.139","0.001","21.499","0.002","90","","90","","90","","2536.6","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(3-Methoxyphenyl)-2-phenylethanone oxime","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","BX2102","H. N. Pati; B. K. Mishra; S. G. Hiriyanna; H. S. Yathirajan; R. S. Rathore","1-(3-Methoxyphenyl)-2-phenylethanone oxime","Acta Crystallographica Section E","2007","63","9","o3700","o3700","10.1107/S1600536807037361","","","0.71073","MoKα","","0.1188","0.0522","","","0.0958","0.1179","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215039","8.349","0.0017","9.476","0.0019","17.828","0.004","90","","90","","90","","1410.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]zinc(II)]","","- C10 H6 N12 Zn -","- C10 H6 N12 Zn -","- C40 H24 N48 Zn4 -","4","0.5","BX2105","Zhang, Xiu-Ling; Zhang, Cun-Lan; Qiu, Yu-E; An, Ning","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]zinc(II)]","Acta Crystallographica Section E","2007","63","9","m2423","m2423","10.1107/S1600536807041414","","","0.71073","MoKα","","0.0976","0.0588","","","0.0731","0.0807","","","","","","1.19","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215061","8.9624","0.0012","12.5413","0.0016","15.881","0.002","90","","90","","90","","1785","0.4","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Hydroxy-3,5-dimethoxybenzonitrile","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","CI2440","Xiang-Wei Cheng","4-Hydroxy-3,5-dimethoxybenzonitrile at 125K","Acta Crystallographica Section E","2007","63","9","o3797","o3797","10.1107/S1600536807039256","","","0.71073","MoKα","","0.0592","0.0406","","","0.102","0.1128","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215066","11.402","0.002","7.9941","0.0016","24.039","0.005","90","","90","","90","","2191.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[(5-Methylfuran-2-yl)methylene]furan-2-carbohydrazide","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","1","CI2448","Yao, Xiao-Ling; Jing, Zuo-Liang","(<i>E</i>)-<i>N</i>'-[(5-Methylfuran-2-yl)methylene]furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","9","o3900","o3900","10.1107/S1600536807041323","","","0.71073","MoKα","","0.0601","0.0506","","","0.1202","0.1264","","","","","","1.116","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215076","9.763","0.003","9.278","0.003","20.586","0.005","90","","90","","90","","1864.7","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-Nitrophenyl)propionamide","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C72 H80 N16 O24 -","8","1","CV2289","Zhang, Hou-Ying; Guo, Ming-Lin; Guo, Chen-Hu; Ye, Ya-Nan","<i>N</i>-(4-Nitrophenyl)propionamide","Acta Crystallographica Section E","2007","63","9","o3903","o3903","10.1107/S1600536807041372","","","0.71073","MoKα","","0.09","0.0504","","","0.1232","0.1466","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215077","8.7936","0.0017","8.8609","0.0018","16.058","0.002","90","","90","","90","","1251.2","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-3,5-bis(1-hydroxyethyl)-4H-1,2,4-triazole","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","CV2290","Kao-Zhen Li; Qing-Peng He; Rong-Shan Li; Da-Qi Wang; Ze-Hua Lu","4-Amino-3,5-bis(1-hydroxyethyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2007","63","9","o3908","o3908","10.1107/S160053680704158X","","","0.71073","MoKα","","0.0537","0.0389","","","0.0897","0.106","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215079","10.2676","0.0008","9.733","0.0008","10.8624","0.0009","90","","90","","90","","1085.53","0.15","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[sodium [μ~4~-2-hydroxyphosphonoacetato(3-)]iron(II)]","","- C2 H2 Fe Na O6 P -","- C2 H2 Fe Na O6 P -","- C16 H16 Fe8 Na8 O48 P8 -","8","1","DN2221","Jing Li; Yan-Yu Zhu; Cui-Ying Huang; Zhen-Gang Sun; Da-Peng Dong","Poly[sodium [μ~4~-2-hydroxyphosphonoacetato(3{-})]iron(II)]","Acta Crystallographica Section E","2007","63","9","m2350","m2350","10.1107/S1600536807036598","","","0.71073","MoKα","","0.0242","0.0215","","","0.0548","0.0559","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215099","5.2638","0.0004","13.6385","0.0008","20.4415","0.0011","90","","90","","90","","1467.5","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(4-aminophenoxy)butane","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","GG2035","Naz, Touseef; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.","1,4-Bis(4-aminophenoxy)butane","Acta Crystallographica Section E","2007","63","9","o3777","o3777","10.1107/S1600536807039013","","","0.71073","MoKα","","0.0404","0.0364","","","0.0961","0.0991","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215103","8.3129","0.0003","14.34","0.003","12.869","0.004","90","","90","","90","","1534.1","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Adnan620","5-Hydrazino-1,3-dimethyl-4-nitro-1H-pyrazole","","- C5 H9 N5 O2 -","- C5 H9 N5 O2 -","- C40 H72 N40 O16 -","8","1","GG3110","Abu-Safieh, Kayed A.; Khanfer, Monther; Al-Far, Rawhi; Ali, Basem Fares; Maichle-Moessmer, C.; Abu-Rayyan, Ahmad","5-Hydrazino-1,3-dimethyl-4-nitro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2007","63","9","o3814","o3815","10.1107/S1600536807039517","","","0.71073","MoKα","","0.073","0.0415","","","0.1118","0.1271","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215108","13.9269","0.0013","15.399","0.002","22.133","0.004","90","","90","","90","","4746.7","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dioxido{1-[(phenyl)(2-pyridyl)methylene]-4-(<i>p</i>-\ tolyl)thiosemicarbazonato}vanadium(V) dimethyl sulfoxide solvate","","- C22 H23 N4 O3 S2 V -","- C22 H23 N4 O3 S2 V -","- C176 H184 N32 O24 S16 V8 -","8","1","GK2096","Mendes, Isolda C.; Speziali, Nivaldo L.; Beraldo, Heloisa","Dioxido{1-[(phenyl)(2-pyridyl)methylene]-4-(<i>p</i>-tolyl)thiosemicarbazonato}vanadium(V) dimethyl sulfoxide solvate","Acta Crystallographica Section E","2007","63","9","m2391","m2391","10.1107/S1600536807038275","","","0.71073","MoKα","","0.1095","0.0594","","","0.1355","0.1646","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215118","13.9688","0.0006","8.1164","0.0004","19.79","0.001","90","","90","","90","","2243.72","0.19","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,7,8-Trimethoxycoumarin","","- C12 H12 O5 -","- C12 H12 O5 -","- C96 H96 O40 -","8","1","HB2490","Nurdin, Saidi; Mukhtar, Mat Ropi; Awang, Khalijah; Hadi, A. Hamid A.; Ng, Seik Weng","6,7,8-Trimethoxycoumarin from <i>Cryptocarya bracteolata</i>","Acta Crystallographica Section E","2007","63","9","o3692","o3693","10.1107/S1600536807036914","","","0.71073","MoKα","","0.0616","0.0406","","","0.1066","0.1176","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215160","13.785","0.005","10.664","0.004","18.233","0.006","90","","90","","90","","2680.3","1.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2,2-Dimethylcyclopropylcarbonyl)-3-(2-pyridyl)thiourea","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C96 H120 N24 O8 S8 -","8","1","HK2302","Jing Wang; Li Tian; Shang-Yuan Liu","1-(2,2-Dimethylcyclopropylcarbonyl)-3-(2-pyridyl)thiourea","Acta Crystallographica Section E","2007","63","9","o3667","o3667","10.1107/S1600536807036690","","","0.71073","MoKα","","0.0559","0.0417","","","0.11","0.1209","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215254","13.6695","0.0009","8.7917","0.0005","14.987","0.0008","90","","90","","90","","1801.11","0.18","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(p-Tolyl)thioacetamide","","- C9 H11 N S -","- C9 H11 N S -","- C72 H88 N8 S8 -","8","1","RK2038","Śmiszek-Lindert, Wioleta; Nowak, Maria; Kusz, Joachim","<i>N</i>-(<i>p</i>-Tolyl)thioacetamide","Acta Crystallographica Section E","2007","63","9","o3917","o3917","10.1107/S1600536807041633","","","0.71073","MoKα","","0.0627","0.0359","","","0.1071","0.1134","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215259","9.0763","0.001","9.8053","0.0011","24.628","0.003","90","","90","","90","","2191.8","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1H-benzimidazole","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","RT2008","Shi, Wen-Juan; Ruan, Cheng-Xiang","2-(4-Methylphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","9","o3688","o3688","10.1107/S1600536807037373","","","0.71073","MoKα","","0.0593","0.0516","","","0.1307","0.1351","","","","","","1.103","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215275","9.3879","0.0019","9.2952","0.0019","20.721","0.004","90","","90","","90","","1808.2","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-Bromophenyl)propionamide","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C72 H80 Br8 N8 O8 -","8","1","SJ2337","Guo, Chen-Hu; Guo, Ming-Lin; Zhang, Hou-Ying; Ye, Ya-Nan","<i>N</i>-(4-Bromophenyl)propionamide","Acta Crystallographica Section E","2007","63","9","o3884","o3884","10.1107/S1600536807040950","","","0.71073","MoKα","","0.0423","0.0357","","","0.0884","0.0925","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215284","8.6776","0.0009","9.7953","0.001","16.7592","0.0016","90","","90","","90","","1424.5","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-poly[[diaquanickel(II)]-μ-2-hydroxyphosphonatoacetato]","","- C2 H7 Ni O8 P -","- C2 H7 Ni O8 P -","- C16 H56 Ni8 O64 P8 -","8","1","WK2072","Jing Li; Da-Peng Dong; Cui-Ying Huang; Zhen-Gang Sun; Yan-Yu Zhu","<i>catena</i>-Poly[[diaquanickel(II)]-μ-2-hydroxyphosphonatoacetato]","Acta Crystallographica Section E","2007","63","9","m2348","m2349","10.1107/S160053680703869X","","","0.71073","MoKα","","0.0308","0.0252","","","0.0643","0.0679","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215301","11.638","0.002","15.667","0.003","17.016","0.003","90","","90","","90","","3102.6","1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-hydroxybenzylidene)-N'-(2-(4-hydroxybenzylideneamino)ethyl)ethane- 1,2-diamine","N-[2-(4-hydroxybenzylideneamino)ethyl]-N-[2-(4- oxidobenzylideneamino)ethyl]ammonium","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C144 H168 N24 O16 -","8","1","XU2286","Xiu-Mei Tian; Gang Liu; Yue Feng; Ji-De Wang","<i>N</i>-[2-(4-Hydroxybenzylideneamino)ethyl]-<i>N</i>-[2-(4-oxidobenzylideneamino)ethyl]ammonium","Acta Crystallographica Section E","2007","63","9","o3701","o3701","10.1107/S1600536807037397","","","0.71073","MoKα","","0.041","0.036","","","0.108","0.112","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215313","7.5559","0.001","12.3351","0.0015","36.597","0.004","90","","90","","90","","3410.9","0.7","296","2","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Hexyloxyphenyl)iminomethyl]benzene-1,4-diol","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C152 H184 N8 O24 -","8","1","ZL2051","Herrera, Ana M.; Bernès, Sylvain; López, Delia","2-[(4-Hexyloxyphenyl)iminomethyl]benzene-1,4-diol","Acta Crystallographica Section E","2007","63","9","o3853","o3853","10.1107/S1600536807040408","","","0.71073","MoKα","","0.096","0.0515","","","0.1311","0.1582","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215321","12.648","0.003","12.647","0.003","21.915","0.004","90","","90","","90","","3505.5","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{1-[(2-Morpholin-4-ylethylimino-κ^2^N,N')methyl]naphthalen-2-olato-κO} (thiocyanato-N)nickel(II)","","- C18 H19 N3 Ni O2 S -","- C18 H19 N3 Ni O2 S -","- C144 H152 N24 Ni8 O16 S8 -","8","1","AT2382","Yun-Peng Diao; Yuan-Zhi Wang; Ming-Dong Wang; Kun Li","{1-[(2-Morpholin-4-ylethylimino-κ^2^<i>N</i>,<i>N</i>')methyl]naphthalen-2-olato-κ<i>O</i>}(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","10","m2494","m2494","10.1107/S1600536807043073","","","0.71073","MoKα","","0.0881","0.0631","","","0.1248","0.1348","","","","","","1.164","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215323","7.22","0.002","13.873","0.002","33.63","0.005","90","","90","","90","","3368.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{1-[(2-diethylaminoethylimino-κ^2^N,N')methyl]\ naphthalen-2-olato-κO}nickel(II)","","- C17 H21 N5 Ni O -","- C17 H21 N5 Ni O -","- C136 H168 N40 Ni8 O8 -","8","1","AT2384","Yun-Peng Diao; Shan-Shan Huang; Bao-Jing Zhang; Kun Li","Azido{1-[(2-diethylaminoethylimino-κ^2^<i>N</i>,<i>N</i>')methyl]naphthalen-2-olato-κ<i>O</i>}nickel(II)","Acta Crystallographica Section E","2007","63","10","m2495","m2495","10.1107/S1600536807043103","","","0.71073","MoKα","","0.0854","0.0551","","","0.1363","0.1523","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215347","12.807","0.006","7.803","0.004","24.734","0.011","90","","90","","90","","2472","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-thienylmethylene)benzohydrazide","","- C12 H9 Br N2 O S -","- C12 H9 Br N2 O S -","- C96 H72 Br8 N16 O8 S8 -","8","1","BG2091","Jing, Zuo-Liang; Yu, Ming; Chen, Xin","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-thienylmethylene)benzohydrazide","Acta Crystallographica Section E","2007","63","10","o3925","o3925","10.1107/S1600536807042006","","","0.71073","MoKα","","0.0839","0.0474","","","0.1266","0.1478","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215353","12.807","0.003","7.616","0.0015","34.43","0.007","90","","90","","90","","3358.2","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Bis(3-nitrophenyl)quinoxaline","","- C20 H12 N4 O4 -","- C20 H12 N4 O4 -","- C160 H96 N32 O32 -","8","1","BH2119","Lei, Peng; Hu, Zhi-Zhi; Wang, Cui-Ping; Chen, Xing; Zhang, Zhi-Qiang","2,3-Bis(3-nitrophenyl)quinoxaline","Acta Crystallographica Section E","2007","63","10","o3969","o3969","10.1107/S1600536807042055","","","0.71073","MoKα","","0.1298","0.0569","","","0.1491","0.1903","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215366","7.3563","0.0004","15.6735","0.0011","20.9978","0.0016","90","","90","","90","","2421","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>catena</i>-{[(μ-Tetramethylthiourea-<i>S</i>)Ag][(Ag(CN)~2~]}","Poly[di-μ~2~-cyanido-κ^2^C:N;κ^2^N:C-μ~2~-N,N,N',N'- tetramethylthiourea-κ^2^S:S-disilver(I)]","","- C7 H12 Ag2 N4 S -","- C7 H12 Ag2 N4 S -","- C56 H96 Ag16 N32 S8 -","8","1","BQ2035","Hanif, Muhammad; Ahmad, Saeed; Altaf, Muhammad; Stoeckli-Evans, Helen","Poly[bis(μ~2~-cyanido)-κ^2^<i>C</i>:<i>N</i>;κ^2^<i>N</i>:<i>C</i>-(μ~2~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylthiourea-κ^2^<i>S</i>:<i>S</i>)disilver(I)]","Acta Crystallographica Section E","2007","63","10","m2594","m2594","10.1107/S1600536807044844","","","0.71073","MoKα","","0.0422","0.0304","","","0.0655","0.0696","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215370","8.805","0.0005","8.8051","0.0007","16.6614","0.0014","90","","90","","90","","1291.74","0.17","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-2,2'-bi-1H-imidazole)bis(μ~3~-hydrogenphosphato)dizinc(II)]","","- C6 H8 N4 O8 P2 Zn2 -","- C6 H8 N4 O8 P2 Zn2 -","- C24 H32 N16 O32 P8 Zn8 -","4","0.5","BT2492","Min-Na Cao; Min Wang; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu","Poly[(μ~2~-2,2'-bi-1<i>H</i>-imidazole)bis(μ~3~-hydrogenphosphato)dizinc(II)]","Acta Crystallographica Section E","2007","63","10","m2456","m2456","10.1107/S160053680704250X","","","0.71073","MoKα","","0.0358","0.0325","","","0.074","0.0756","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215444","19.477","0.003","12.1666","0.0019","23.97","0.004","90","","90","","90","","5680.1","1.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Dibenzoyl-1-phenyl-3,5-di-2-thienylcyclohexanol","","- C34 H28 O3 S2 -","- C34 H28 O3 S2 -","- C272 H224 O24 S16 -","8","1","CV2306","Xian-Qiang Huang; Jin-Xian Wang","2,4-Dibenzoyl-1-phenyl-3,5-di2-thienylcyclohexanol","Acta Crystallographica Section E","2007","63","10","o4168","o4168","10.1107/S1600536807046843","","","0.71073","MoKα","","0.1563","0.0772","","","0.2","0.2687","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215456","16.074","0.003","8.087","0.0016","19.333","0.004","90","","90","","90","","2513.1","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dichlorobenzylidene)-<i>N</i>'-phenylhydrazine","","- C13 H10 Cl2 N2 -","- C13 H10 Cl2 N2 -","- C104 H80 Cl16 N16 -","8","1","DN3063","Yin, Zhi-Gang; Qian, Heng-Yu; Chen, Yu-Zhen; Feng, Yu-Li","<i>N</i>-(2,4-Dichlorobenzylidene)-<i>N</i>'-phenylhydrazine","Acta Crystallographica Section E","2007","63","10","o4119","o4119","10.1107/S1600536807045552","","","0.71073","MoKα","","0.0668","0.0604","","","0.1286","0.1324","","","","","","1.218","","","","has coordinates,has Fobs","192349","2020-10-21","18:00:00",""
"2215614","11.19","0.0003","18.8378","0.0005","22.4202","0.0008","90","","90","","90","","4726.1","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-[tris(hydroxymethyl)methyliminomethyl]phenolato-κ3N,O,O'}nickel(II) methanol solvate","","- C23 H32 N2 Ni O9 -","- C23 H32 N2 Ni O9 -","- C184 H256 N16 Ni8 O72 -","8","1","NG2321","Qing-wei Wang; Xiu-mei Li; Xiu-yan Wang; Yue Zhang","Bis{2-[tris(hydroxymethyl)methyliminomethyl]phenolato-<i>{κ</i>}^3^<i>N</i>,<i>O</i>,<i>O</i>'}nickel(II) methanol solvate","Acta Crystallographica Section E","2007","63","10","m2537","m2537","10.1107/S160053680704384X","","","0.71073","MoKα","","0.1548","0.0395","","","0.0507","0.0627","","","","","","0.816","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215619","10.129","0.0003","7.229","0.0002","20.075","0.0007","90","","90","","90","","1469.94","0.08","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","rac-trans-cycloheptane-1,2-diol","<i>rac</i>-<i>trans</i>-Cycloheptane-1,2-diol","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","NG2328","Betz, Richard; Klüfers, Peter","<i>rac</i>-<i>trans</i>-Cycloheptane-1,2-diol","Acta Crystallographica Section E","2007","63","10","o4129","o4129","10.1107/S1600536807045746","","","0.71073","MoKα","","0.0761","0.0421","","","0.1012","0.113","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215662","18.475","0.002","10.3014","0.0013","19.723","0.003","90","","90","","90","","3753.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(1H-Benzotriazol-1-yl)-1-(4-fluorobenzoyl)ethyl isonicotinate","","- C21 H15 F N4 O3 -","- C21 H15 F N4 O3 -","- C168 H120 F8 N32 O24 -","8","1","SJ2347","Jing Li; Wu-Lan Zeng; Ming-Hui Wang; Jun Wan","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(4-fluorobenzoyl)ethyl isonicotinate","Acta Crystallographica Section E","2007","63","10","o4177","o4177","10.1107/S1600536807042900","","","0.71073","MoKα","","0.127","0.0569","","","0.1232","0.1562","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215673","14.069","0.003","15.312","0.003","16.036","0.003","90","","90","","90","","3454.5","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(hexamethylenetetramine-κN)bis(methanol)bis(thiocyanato-κN)nickel(II)","","- C10 H22 N6 Ni O3 S2 -","- C10 H22 N6 Ni O3 S2 -","- C80 H176 N48 Ni8 O24 S16 -","8","1","SJ2363","Bai, Yan; Shang, Wei-Li; Zhang, Fu-Lian; Pan, Xiao-Jing; Niu, Xiao-Fang","Aqua(hexamethylenetetramine-κ<i>N</i>)bis(methanol)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","10","m2628","m2628","10.1107/S1600536807046648","","","0.71073","MoKα","","0.0448","0.0309","","","0.0711","0.0773","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215674","20.0202","0.0004","18.916","0.0003","23.4108","0.0004","90","","90","","90","","8865.7","0.3","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-Dimethylaminopyridinium tetrakis[3,3,3-trifluoro-1-(2-thienylcarbonyl)prop-1-en-2-olato]europate(III)","","- C39 H27 Eu F12 N2 O8 S4 -","- C39 H27 Eu F12.003 N2 O8 S4 -","- C312 H216 Eu8 F96.024 N16 O64 S32 -","8","1","TK2189","Wei, Xiu-Cheng; Bian, Yu-Kun; Yu, Kai-Bei; He, De-Yan","4-Dimethylaminopyridinium tetrakis[3,3,3-trifluoro-1-(2-thienylcarbonyl)prop-1-en-2-olato]europate(III)","Acta Crystallographica Section E","2007","63","10","m2566","m2566","10.1107/S1600536807045667","","","0.71073","MoKα","","0.034","0.032","","","0.084","0.085","","","","","","1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215680","8.5825","0.0004","17.2754","0.0007","26.6505","0.0011","90","","90","","90","","3951.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triphenylphosphine oxide‒succinimide (1/1)","","- C22 H20 N O3 P -","- C22 H20 N O3 P -","- C176 H160 N8 O24 P8 -","8","1","TK2197","Harrison, William T. A.","Triphenylphosphine oxide‒succinimide (1/1)","Acta Crystallographica Section E","2007","63","10","o4182","o4182","10.1107/S1600536807047356","","","0.71073","MoKα","","0.081","0.044","","","0.109","0.121","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215715","14.4046","0.0008","14.7669","0.0007","24.3537","0.0013","90","","90","","90","","5180.3","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetonitrile-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)(pyrimidine- κ<i>N</i>)rhodium(III) bis(hexafluoridophosphate)","","- C18 H25 F12 N4 P2 Rh -","- C18 H25 F12 N4 P2 Rh -","- C144 H200 F96 N32 P16 Rh8 -","8","1","ZL2063","Boyer, Julie L.; Wilson, Scott R.; Rauchfuss, Thomas B.","Bis(acetonitrile-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)(pyrimidine-κ<i>N</i>)rhodium(III) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2007","63","10","m2574","m2574","10.1107/S1600536807044716","","","0.71073","MoKα","","0.0459","0.0367","","","0.0932","0.0998","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215766","19.1098","0.0015","16.1767","0.0013","38.158","0.003","90","","90","","90","","11795.9","1.6","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(hexafluoridophosphate) monohydrate","","- C52 H62 F12 Mn N8 O3 P2 -","- C52 H62 F12 Mn N8 O3 P2 -","- C416 H496 F96 Mn8 N64 O24 P16 -","8","1","BH2123","Zheng, Xianfu; Niu, Caoyuan; Wan, Xinsheng; Kou, Chunhong","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(hexafluoridophosphate) monohydrate","Acta Crystallographica Section E","2007","63","11","m2682","m2683","10.1107/S1600536807048209","","","0.71073","MoKα","","0.0806","0.0462","","","0.1119","0.1354","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215822","18.701","0.003","9.418","0.0016","19.356","0.003","90","","90","","90","","3409.1","1","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(2-Bromophenyl)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)- 2,2-dimethylcyclopropanecarboxamide","","- C15 H14 Br Cl F3 N O -","- C15 H14 Br Cl F3 N O -","- C120 H112 Br8 Cl8 F24 N8 O8 -","8","1","BV2066","Liu, Dong-Qing; Yan, Fan-Yong","(<i>E</i>)-<i>N</i>-(2-Bromophenyl)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxamide","Acta Crystallographica Section E","2007","63","11","o4202","o4202","10.1107/S1600536807045916","","","0.71073","MoKα","","0.1308","0.0545","","","0.1437","0.2045","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215833","6.601","0.0001","13.8353","0.0002","37.7572","0.0006","90","","90","","90","","3448.24","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzodiazepine","2,4,4-Trimethyl-N-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C152 H184 N24 O8 -","8","1","CF2151","Thiruvalluvar, A; Ponnuswamy, S","2,4,4-Trimethyl-<i>N</i>-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepine-1-carboxamide","Acta Crystallographica Section E","2007","63","11","o4264","o4264","10.1107/S1600536807048519","","","0.71073","MoKα","","0.0715","0.0451","","","0.1035","0.1158","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215837","14.638","0.002","10.77","0.001","26.09","0.003","90","","90","","90","","4113.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N,N'-Bis(4-chlorobenzyl)propane-1,2-diamine]dichloridozinc(II)","","- C17 H20 Cl4 N2 Zn -","- C17 H20 Cl4 N2 Zn -","- C136 H160 Cl32 N16 Zn8 -","8","1","CF2157","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","[<i>N</i>,<i>N</i>'-Bis(4-chlorobenzyl)propane-1,2-diamine]dichloridozinc(II)","Acta Crystallographica Section E","2007","63","11","m2763","m2763","10.1107/S1600536807050866","","","0.71073","MoKα","","0.2121","0.115","","","0.1837","0.217","","","","","","1.286","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215862","8.762","0.003","15.297","0.005","17.247","0.005","90","","90","","90","","2311.7","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II)","","- C24 H34 N4 Ni O4 -","- C24 H34 N4 Ni O4 -","- C96 H136 N16 Ni4 O16 -","4","0.5","CV2312","Chun-Bao Tang","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II)","Acta Crystallographica Section E","2007","63","11","m2654","m2654","10.1107/S1600536807048155","","","0.71073","MoKα","","0.0709","0.0347","","","0.0766","0.0946","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215876","18.7173","0.0011","14.7968","0.0008","23.1967","0.0018","90","","90","","90","","6424.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-Di-μ-chlorido-[μ-<i>N</i>,<i>N</i>'-{[3,3'-methylenebis(2,4,6-trimethyl- 3,1-phenylene)]dimethylene}bis(2-methylpropan-2- amine)]bis[chloridopalladium(II)]","","- C29 H46 Cl4 N2 Pd2 -","- C29 H46 Cl4 N2 Pd2 -","- C232 H368 Cl32 N16 Pd16 -","8","1","DN2236","Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg","(±)-Di-μ-chlorido-(μ-<i>N</i>,<i>N</i>'-{[3,3'-methylenebis(2,4,6-trimethyl-3,1-phenylene)]dimethylene}bis(2-methylpropan-2-amine))bis[chloridopalladium(II)]","Acta Crystallographica Section E","2007","63","11","m2687","m2687","10.1107/S1600536807047745","","","0.71073","MoKα","","0.0575","0.0407","","","0.0982","0.1054","","","","","","0.922","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215882","12.907","0.003","7.469","0.002","18.52","0.004","90","","90","","90","","1785.4","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine","","- C7 H5 Cl F3 N O -","- C7 H5 Cl F3 N O -","- C56 H40 Cl8 F24 N8 O8 -","8","1","DN2242","Wang, Pin-Liang; Zeng, Hai-Su; Kang, Si-Shun; Wang, Hai-Bo","2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine","Acta Crystallographica Section E","2007","63","11","o4355","o4355","10.1107/S1600536807050337","","","0.71073","MoKα","","0.1669","0.0795","","","0.182","0.2369","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215898","24.5585","0.0011","18.5726","0.0008","25.2655","0.0011","90","","90","","90","","11524","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-phenylimido-bis-N',N""-diphenylphosphoramide","(<i>N</i>-Phenylimino)bis[phosphonic bis(diphenylamide)]","","- C30 H29 N5 O2 P2 -","- C30 H29 N5 O2 P2 -","- C480 H464 N80 O32 P32 -","16","2","FI2046","Chartrand, Daniel; Hanan, Garry S.","(<i>N</i>-Phenylimino)bis[phosphonic bis(diphenylamide)]","Acta Crystallographica Section E","2007","63","11","o4428","o4428","10.1107/S1600536807048520","","","1.54178","CuKα","","0.063","0.039","","","0.0857","0.0893","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215922","14.0662","0.0006","8.739","0.0004","24.6881","0.0011","90","","90","","90","","3034.8","0.2","130","2","130","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bis(1-naphthyl) telluride","","- C20 H14 Te -","- C20 H14 Te -","- C160 H112 Te8 -","8","1","GW2027","Chauhan, Ashok K. S.; Anamika; Srivastava, Ramesh C.; Duthie, Andrew","Bis(1-naphthyl) telluride","Acta Crystallographica Section E","2007","63","11","o4386","o4386","10.1107/S160053680705091X","","","0.71073","MoKα","","0.0315","0.0279","","","0.0709","0.0729","","","","","","1.063","","","","has coordinates,has Fobs","192350","2020-10-21","18:00:00",""
"2215949","13.759","0.003","14.334","0.003","26.195","0.006","90","","90","","90","","5166","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,4-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate)","","- C22 H26 F6 N2 O6 S2 -","- C22 H26 F6 N2 O6 S2 -","- C176 H208 F48 N16 O48 S16 -","8","1","HB2583","Chen, Chungang; Zhang, Yan","1,4-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2007","63","11","o4464","o4464","10.1107/S1600536807052063","","","0.71073","MoKα","","0.1772","0.0592","","","0.1246","0.173","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215995","10.1367","0.0007","22.519","0.002","10.8253","0.0008","90","","90","","90","","2471.1","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(6-Methyl-2-pyridylamino)isobenzofuran-1(3H)-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","HK2338","Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","3-(6-Methyl-2-pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","11","o4348","o4348","10.1107/S1600536807049677","","","0.71073","MoKα","","0.0868","0.0372","","","0.0811","0.0948","","","","","","0.891","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216064","8.61","0.005","9.871","0.006","18.892","0.012","90","","90","","90","","1605.6","1.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]","","- C2 H9 Cu O9 P -","- C2 H9 Cu O9 P -","- C16 H72 Cu8 O72 P8 -","8","1","NC2059","Jing Li; Dapeng Dong; Yanyu Zhu; Zhengang Sun; Hui Chen","<i>catena</i>-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]","Acta Crystallographica Section E","2007","63","11","m2646","m2647","10.1107/S1600536807047332","","","0.71073","MoKα","","0.0639","0.0348","","","0.0724","0.0839","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216068","16.585","0.006","11.584","0.006","7.391","0.003","90","","90","","90","","1420","1.1","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane","","- C16 H18 P2 -","- C16 H18 P2 -","- C64 H72 P8 -","4","0.5","NG2331","Michael L. Williams; Samuel P.C. Dunstan; Peter C. Healy","<i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane","Acta Crystallographica Section E","2007","63","11","o4258","o4258","10.1107/S1600536807048507","","","0.71069","MoKα","","0.0718","0.0424","","","0.1163","0.1324","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216081","15.146","0.003","9.146","0.0018","26.18","0.005","90","","90","","90","","3626.6","1.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","r-2,c-6-Bis(4-bromophenyl)-t-3,t-5-dimethyltetrahydropyran-4-one","","- C19 H18 Br2 O2 -","- C19 H18 Br2 O2 -","- C152 H144 Br16 O16 -","8","1","OM2166","P. Parthiban; S. Umamatheswari; Adinarayana Doddi; V. Ramkumar; S. Kabilan","<i>r</i>-2,<i>c</i>-6-Bis(4-bromophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyltetrahydropyran-4-one","Acta Crystallographica Section E","2007","63","11","o4373","o4373","10.1107/S1600536807050660","","","0.71073","MoKα","","0.096","0.0436","","","0.078","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216092","14.2816","0.0004","8.3056","0.0002","25.0612","0.0007","90","","90","","90","","2972.69","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1E,4E)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one","","- C17 H12 Cl2 O -","- C17 H12 Cl2 O -","- C136 H96 Cl16 O8 -","8","1","PV2035","M. NizamMohideen; S. Thenmozhi; A. SubbiahPandi; Ramalingam Murugan; S. Sriman Narayanan","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2007","63","11","o4379","o4379","10.1107/S1600536807050696","","","0.71073","MoKα","","0.1037","0.0494","","","0.1314","0.1638","","","","","","0.998","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216107","8.6384","0.0018","17.701","0.004","20.619","0.004","90","","90","","90","","3152.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-(2-carboxylatoethyl)phosphonato]bis[aqua(2,2'-bipyridine)cobalt(II)]","","- C26 H30 Co2 N4 O12 P2 -","- C26 H30 Co2 N4 O12 P2 -","- C104 H120 Co8 N16 O48 P8 -","4","0.5","RZ2168","Shao-Ming Ying; Yun Chen; Jun-Yue Lin; Guang-Pei Zhou; Jian-Hong Wu","Bis[μ-(2-carboxylatoethyl)phosphonato]bis[aqua(2,2'-bipyridine)cobalt(II)]","Acta Crystallographica Section E","2007","63","11","m2862","m2862","10.1107/S1600536807052592","","","0.71073","MoKα","","0.0521","0.0289","","","0.0668","0.0696","","","","","","0.781","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216184","7.5865","0.0009","19.9375","0.0015","20.4751","0.0019","90","","90","","90","","3097","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Fluoro-2,4,5-triphenylfuran","3-Fluoro-2,4,5-triphenylfuran","","- C22 H15 F O -","- C22 H15 F O -","- C176 H120 F8 O8 -","8","1","ZL2071","Jacobsen, Jesse M.; Arimitsu, Satoru; Hammond, Gerald B.; Mashuta, Mark S.","3-Fluoro-2,4,5-triphenylfuran","Acta Crystallographica Section E","2007","63","11","o4337","o4337","10.1107/S1600536807049902","","","0.71073","MoKα","","0.048","0.0447","","","0.1164","0.119","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216198","13.2344","0.0008","11.0471","0.0008","16.1466","0.0009","90","","90","","90","","2360.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2E)-3-(5-Bromo-2-thienyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C13 H9 Br O2 S -","- C13 H9 Br O2 S -","- C104 H72 Br8 O16 S8 -","8","1","AT2456","Narayana, B.; Lakshmana, K.; Sarojini, B. K.; Yathirajan, H. S.; Bolte, Michael","(2<i>E</i>)-3-(5-Bromo-2-thienyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","12","o4552","o4552","10.1107/S1600536807054359","","","0.71073","MoKα","","0.0368","0.0306","","","0.0636","0.0658","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216213","16.059","0.002","10.631","0.0016","20.69","0.003","90","","90","","90","","3532.3","0.9","292","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-[(Z)-4-isobutyl-5-oxo-2-(phenylimino)imidazolidin-1-yl]acetate","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C136 H184 N24 O24 -","8","1","AT2473","Yong Sun; Hong-Xia Li; Ping He; Gui-hua Li","Ethyl 2-[(<i>Z</i>)-4-isobutyl-5-oxo-2-(phenylimino)imidazolidin-1-yl]acetate","Acta Crystallographica Section E","2007","63","12","o4768","o4768","10.1107/S1600536807058473","","","0.71073","MoKα","","0.1013","0.0691","","","0.179","0.1952","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216247","9.348","0.002","12.361","0.003","23.184","0.006","90","","90","","90","","2678.9","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2-Pyridylsulfanyl)-<i>N</i>-<i>p</i>-tolylacetamide","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C112 H112 N16 O8 S8 -","8","1","BG2139","Yan Gao; Dong Liang; Li-Xing Gao; Guang-Jun Fang; Wei Wang","2-(2-Pyridylsulfanyl)-<i>N</i>-<i>p</i>-tolylacetamide","Acta Crystallographica Section E","2007","63","12","o4854","o4854","10.1107/S160053680706045X","","","0.71073","MoKα","","0.0823","0.045","","","0.1056","0.1299","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216280","14.2014","0.0004","7.0513","0.0001","22.11","0.0005","90","","90","","90","","2214.06","0.09","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)-μ~6~-succinato-dilanthanum(III)]","","- C10 H6 La O6 -","- C10 H6 La O6 -","- C80 H48 La8 O48 -","8","1","BT2565","Qin He; Bao-Jun Huang","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)-μ~6~-succinato-dilanthanum(III)]","Acta Crystallographica Section E","2007","63","12","m2879","m2879","10.1107/S1600536807053123","","","0.71073","MoKα","","0.0292","0.0209","","","0.0493","0.0508","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216282","7.217","0.0009","6.3101","0.0008","57.061","0.007","90","","90","","90","","2598.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methoxy-N-(3-phenylallylidene)aniline","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","1","BT2567","Ying Li; Xiao-Lian He; Xiao-Yan Yang","4-Methoxy-<i>N</i>-(3-phenylallylidene)aniline","Acta Crystallographica Section E","2007","63","12","o4546","o4546","10.1107/S1600536807054542","","","0.71073","MoKα","","0.0587","0.0514","","","0.1458","0.1517","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216315","7.1951","0.0006","11.4501","0.0007","40.252","0.002","90","","90","","90","","3316.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-Methyl-4-[(4-nitrophenyl)diazenyl]phenol dimethylformamide solvate","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C128 H144 N32 O32 -","8","1","BT2612","Koşar, Başak; Albayrak,Çigdem; Gümrükçüoglu, \?Ismail; Büyükgüngör, Orhan","(<i>E</i>)-2-Methyl-4-[(4-nitrophenyl)diazenyl]phenol dimethylformamide solvate","Acta Crystallographica Section E","2007","63","12","o4772","o4772","10.1107/S1600536807059454","","","0.71073","MoKα","","0.1358","0.0518","","","0.114","0.1425","","","","","","0.839","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216353","18.295","0.006","10.851","0.004","28.097","0.009","90","","90","","90","","5578","3","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-Chlorophenyl)-2-(2,4-dichlorophenoxy)-5-methyl-8,9,10,11-tetrahydro- 2-benzothieno[2',3':2,3]pyrido[4,5-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","","- C27 H20 Cl5 N3 O2 S -","- C27 H20 Cl5 N3 O2 S -","- C216 H160 Cl40 N24 O16 S8 -","8","1","CI2481","Liu, Jian-Chao","3-(4-Chlorophenyl)-2-(2,4-dichlorophenoxy)-5-methyl-8,9,10,11-tetrahydro-2-benzothieno[2',3':2,3]pyrido[4,5-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","Acta Crystallographica Section E","2007","63","12","o4571","o4571","10.1107/S1600536807054013","","","0.71073","MoKα","","0.1283","0.0777","","","0.2078","0.2342","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216406","10.8041","0.0009","10.0189","0.0009","36.119","0.003","90","","90","","90","","3909.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(+/-)-3-(2,6-Dichlorophenyl)-1-phenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-\ <i>e</i>][1,3]oxazine","","- C24 H17 Cl2 N O -","- C24 H17 Cl2 N O -","- C192 H136 Cl16 N8 O8 -","8","1","DN2255","Yin, Zhi-Gang; Qian, Heng-Yu; Chen Yu-Zhen; Feng Yu-Li","(±)-3-(2,6-Dichlorophenyl)-1-phenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine","Acta Crystallographica Section E","2007","63","12","o4626","o4626","10.1107/S1600536807055432","","","0.71073","MoKα","","0.0859","0.0503","","","0.1315","0.1512","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216407","14.2225","0.0008","8.2788","0.0005","14.7043","0.0008","90","","90","","90","","1731.36","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","iron(II) monohydrate]","","- C4 H10 Fe O8 -","- C4 H10 Fe O8 -","- C32 H80 Fe8 O64 -","8","1","DN2256","Licai Zhu; Feng Sun","Poly[[diaqua-μ~3~-malonato-iron(II)] monohydrate]","Acta Crystallographica Section E","2007","63","12","m2966","m2966","10.1107/S1600536807055377","","","0.71073","MoKα","","0.033","0.0283","","","0.0787","0.0827","","","","","","1.104","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216432","12.4146","0.0002","15.3531","0.0002","30.3448","0.0005","90","","90","","90","","5783.8","0.15","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ReO(oxalate)2(PPh3)","Triethylammonium bis(oxalato)oxido(triphenylphosphane)rhenate(V)","","- C28 H31 N O9 P Re -","- C28 H31 N O9 P Re -","- C224 H248 N8 O72 P8 Re8 -","8","1","EZ2113","Grimminger, Philipp; Klüfers, Peter","Triethylammonium bis(oxalato)oxido(triphenylphosphane)rhenate(V)","Acta Crystallographica Section E","2007","63","12","m3188","m3188","10.1107/S1600536807061879","","","0.71073","MoKα","","0.0806","0.0334","","","0.0657","0.079","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216580","14.8048","0.0012","6.8674","0.0006","15.1623","0.0012","90","","90","","90","","1541.6","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis[5-(1<i>H</i>-tetrazol-5-ylamino-κN^4^)tetrazolato- κ<i>N</i>^1^]manganese(II) dihydrate","","- C4 H12 Mn N18 O4 -","- C4 H12 Mn N18 O4 -","- C16 H48 Mn4 N72 O16 -","4","0.5","HY2096","Lin, Jiao-Min; Guan, Yang-Fan; Dong, Wen","Diaquabis[5-(1<i>H</i>-tetrazol-5-ylamino-κ<i>N</i>^4^)tetrazolato-κ<i>N</i>^1^]manganese(II) dihydrate","Acta Crystallographica Section E","2007","63","12","m3017","m3017","10.1107/S1600536807057091","","","0.71073","MoKα","","0.0901","0.0516","","","0.1249","0.1449","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216599","11.667","0.002","15.686","0.003","24.594","0.005","90","","90","","90","","4500.9","1.5","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 1-(2,6-difluorobenzyl)-4-(4,6-dimethoxypyrimidin-2-yl)-2-oxo- 1,2-dihydroquinoline-3-carboxylate","","- C25 H21 F2 N3 O5 -","- C25 H21 F2 N3 O5 -","- C200 H168 F16 N24 O40 -","8","1","IS2246","Yuan-Xiang Li; Di-Zhao Chen; Xiao-Juan Gong","Ethyl 1-(2,6-difluorobenzyl)-4-(4,6-dimethoxypyrimidin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2007","63","12","o4855","o4855","10.1107/S1600536807060345","","","0.71073","MoKα","","0.0699","0.0532","","","0.1305","0.1402","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2216664","13.9501","0.0003","6.8696","0.0001","21.8409","0.0004","90","","90","","90","","2093.05","0.07","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-dieuropium(III)]","","- C10 H6 Eu O6 -","- C10 H6 Eu O6 -","- C80 H48 Eu8 O48 -","8","1","NC2067","Qin He; Bao-Jun Huang","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-dieuropium(III)]","Acta Crystallographica Section E","2007","63","12","m2922","m2922","10.1107/S1600536807054414","","","0.71073","MoKα","","0.0207","0.0159","","","0.0389","0.0397","","","","","","1.104","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216678","17.8591","0.0013","15.4533","0.0011","19.5649","0.0014","90","","90","","90","","5399.6","0.7","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 2,6-bis(3-methylphenyl)-4,8-dioxo-2,6,3a,4a,7a,8a- hexaazaperhydrocyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","","- C28 H32 N6 O6 -","- C28 H32 N6 O6 -","- C224 H256 N48 O48 -","8","1","NG2358","Guo-Dong Yin; Zi-Hua Wang; Jing Qin","Diethyl 2,6-bis(3-methylphenyl)-4,8-dioxo-2,6,3a,4a,7a,8a-hexaazaperhydrocyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2007","63","12","o4577","o4577","10.1107/S1600536807054803","","","0.71073","MoKα","","0.0795","0.0573","","","0.124","0.1362","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2216681","7.4564","0.0015","11.172","0.002","19.633","0.004","90","","90","","90","","1635.5","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1,3-Dioxolan-2-yl)phenol","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","NG2361","Kretz, Tonia; Lerner, Hans-Wolfram; Bolte, Michael","2-(1,3-Dioxolan-2-yl)phenol","Acta Crystallographica Section E","2007","63","12","o4684","o4684","10.1107/S1600536807056103","","","0.71073","MoKα","","0.1105","0.0489","","","0.0798","0.0932","","","","","","0.855","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216689","9.875","0.001","12.3662","0.0012","21.7093","0.0019","90","","90","","90","","2651.1","0.4","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis-1,1'-cycloheptyl-1,1'-diol","Bi-1,1'-cycloheptane-1,1'-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","1","NG2371","Betz, Richard; Klüfers, Peter","Bi-1,1'-cycloheptane-1,1'-diol","Acta Crystallographica Section E","2007","63","12","o4752","o4752","10.1107/S1600536807058345","","","0.71073","MoKα","","0.0661","0.0518","","","0.1174","0.1271","","","","","","1.159","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216711","10.868","0.002","8.047","0.0016","29.209","0.006","90","","90","","90","","2554.5","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-N'-(4-hydroxybenzylidene)nicotinohydrazide","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C104 H80 Br8 N24 O16 -","8","1","OM2183","Chun-Bao Tang","5-Bromo-<i>N</i>'-(4-hydroxybenzylidene)nicotinohydrazide","Acta Crystallographica Section E","2007","63","12","o4841","o4841","10.1107/S1600536807060552","","","0.71073","MoKα","","0.0562","0.0384","","","0.0851","0.0934","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216713","14.101","0.004","10.369","0.003","23.627","0.006","90","","90","","90","","3454.6","1.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dinitrate dihydrate","","- C26 H48 N6 Ni O14 -","- C26 H48 N6 Ni O14 -","- C104 H192 N24 Ni4 O56 -","4","0.5","PK2060","Ying-Zhen Wang; Lan-Lan Li; Yong-Qing Su; Cong Li","Diaquabis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dinitrate dihydrate","Acta Crystallographica Section E","2007","63","12","m2945","m2946","10.1107/S1600536807055092","","","0.71073","MoKα","","0.0572","0.0401","","","0.0971","0.1075","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216742","8.5905","0.0009","14.8361","0.0016","20.905","0.002","90","","90","","90","","2664.3","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[[5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^]copper(II)]-μ- 5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^:N^3^]","","- C12 H8 Cu N10 -","- C12 H8 Cu N10 -","- C96 H64 Cu8 N80 -","8","1","RZ2170","Qiu, Yu-E; Jin, Mei-Fang; Zhang, Xiu-Ling","<i>catena</i>-Poly[[[5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)]-μ-5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^3^]","Acta Crystallographica Section E","2007","63","12","m2894","m2894","10.1107/S1600536807053597","","","0.71073","MoKα","","0.0343","0.0249","","","0.0609","0.0662","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216757","13.9896","0.0002","6.8923","0.0001","21.8748","0.0003","90","","90","","90","","2109.18","0.05","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-disamarium(III)]","","- C20 H12 O12 Sm2 -","- C20 H12 O12 Sm2 -","- C80 H48 O48 Sm8 -","4","0.5","SI2044","Qin He; Bao-Jun Huang","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-disamarium(III)]","Acta Crystallographica Section E","2007","63","12","m2923","m2923","10.1107/S1600536807055006","","","0.71073","MoKα","","0.0303","0.0209","","","0.0438","0.0465","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216825","15.364","0.001","17.006","0.001","18.908","0.001","90","","90","","90","","4940.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-[2-(Dibenzylaminomethyl)-1H-benzimidazol-1-ylmethyl]benzonitrile","","- C30 H26 N4 -","- C30 H26 N4 -","- C240 H208 N32 -","8","1","WN2213","Guang-Ju Ping; Ying-Ying Liu; Ting-Ting Han; Jian-Fang Ma","4-[2-(Dibenzylaminomethyl)-1<i>H</i>-benzimidazol-1-ylmethyl]benzonitrile","Acta Crystallographica Section E","2007","63","12","o4508","o4508","10.1107/S1600536807053573","","","0.71069","MoKα","","0.0666","0.0401","","","0.1025","0.1197","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216832","11.752","0.004","8.172","0.005","23.524","0.003","90","","90","","90","","2259.2","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[(1-Carboxycyclohexyl)(carboxymethyl)ammonio]acetate","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C88 H136 N8 O48 -","8","1","XU2345","Sheng-Dong Zhang; Jian-Xin Li; Quan-Liang Zhang; Wen-Juan Duan; Xi-Guang Du","[(1-Carboxycyclohexyl)(carboxymethyl)ammonio]acetate","Acta Crystallographica Section E","2007","63","12","o4794","o4794","10.1107/S1600536807057807","","","0.71069","MoKα","","0.0657","0.0454","","","0.1198","0.1279","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216881","12.513","0.003","9.519","0.0019","26.844","0.005","90","","90","","90","","3197.4","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(1<i>S</i>,3S)-3-Acetyl-2,2-dimethylcyclobutyl]-<i>N</i>-(<i>m</i>- tolyl)acetamide","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","1","AT2522","Yan-Bai Yin; Zhan-Qian Song; Zong-De Wang; Shi-Bin Shang","2-[(1<i>S</i>,3<i>S</i>)-3-Acetyl-2,2-dimethylcyclobutyl]-<i>N</i>-(<i>m</i>-tolyl)acetamide","Acta Crystallographica Section E","2008","64","1","o291","o291","10.1107/S160053680706641X","","","0.71073","MoKα","","0.1536","0.0732","","","0.1425","0.1701","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216900","7.5881","0.0016","8.2061","0.0018","22.873","0.005","90","","90","","90","","1424.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-Bis(prop-2-ynyloxy)biphenyl","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","0.5","BH2156","Wu Zhang; Li Yao; Ruo-Jie Tao","4,4'-Bis(prop-2-ynyloxy)biphenyl","Acta Crystallographica Section E","2008","64","1","o307","o307","10.1107/S160053680706638X","","","0.71073","MoKα","","0.0732","0.051","","","0.1082","0.1158","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216912","13.354","0.003","14.133","0.003","15.077","0.003","90","","90","","90","","2845.5","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Dihydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C144 H112 N16 O32 -","8","1","BI2266","Yun-Peng Diao; Yu-Hong Zhen; Xu Han; Sa Deng","3,5-Dihydroxy-<i>N</i>'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide","Acta Crystallographica Section E","2008","64","1","o101","o101","10.1107/S1600536807062861","","","0.71073","MoKα","","0.0467","0.0378","","","0.1021","0.1104","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216918","12.25","0.003","10.876","0.002","24.845","0.005","90","","90","","90","","3310.1","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrophenyl N-(2-isopropylthiazol-4-ylmethyl)-N-methylcarbamate","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C120 H136 N24 O32 S8 -","8","1","BQ2046","Xu, Hao; Wang, Peng; Huang, Wen-long","4-Nitrophenyl <i>N</i>-(2-isopropylthiazol-4-ylmethyl)-<i>N</i>-methylcarbamate","Acta Crystallographica Section E","2008","64","1","o149","o149","10.1107/S1600536807063532","","","0.71073","MoKα","","0.1961","0.0859","","","0.1689","0.2173","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216936","9.1117","0.0003","9.8336","0.0002","26.0616","0.001","90","","90","","90","","2335.14","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methylphenyl)benzamide","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","BT2632","B. Thimme Gowda; Miroslav Tokarčík; Jozef Kožíšek; B. P. Sowmya","<i>N</i>-(4-Methylphenyl)benzamide","Acta Crystallographica Section E","2008","64","1","o83","o83","10.1107/S1600536807061557","","","0.71073","MoKα","","0.1052","0.0348","","","0.0752","0.0839","","","","","","0.815","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216952","12.0524","0.0002","8.7395","0.0001","21.1893","0.0003","90","","90","","90","","2231.91","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Indole-3-thiouronium nitrate","","- C9 H10 N4 O3 S -","- C9 H10 N4 O3 S -","- C72 H80 N32 O24 S8 -","8","1","BT2657","Lutz, Martin; Spek, Anthony L.; van der Geer, Erwin P. L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Indole-3-thiouronium nitrate","Acta Crystallographica Section E","2008","64","1","o194","o194","10.1107/S1600536807064707","","","0.71073","MoKα","","0.0427","0.0321","","","0.0831","0.0893","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216982","12.6542","0.0005","10.9976","0.0006","23.6264","0.001","90","","90","","90","","3288","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Hydroxy-2-methylquinoline","","- C10 H9 N O -","- C10 H9 N O -","- C160 H144 N16 O16 -","16","2","CI2524","Fazaeli, Yousef; Amini, Mostafa M.; Shan Gao; Ng, Seik Weng","8-Hydroxy-2-methylquinoline","Acta Crystallographica Section E","2008","64","1","o97","o97","10.1107/S1600536807063246","","","0.71073","MoKα","","0.0984","0.0529","","","0.1449","0.1875","","","","","","1.095","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216988","9.8329","0.0007","13.3","0.0011","16.5688","0.0013","90","","90","","90","","2166.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Octane-1,8-diyldipyridinium dibromide dihydrate","","- C18 H30 Br2 N2 O2 -","- C18 H30 Br2 N2 O2 -","- C72 H120 Br8 N8 O8 -","4","0.5","CI2531","Xin Xiao; Ping-Yue Jiang; Yun-Qian Zhang; Sai-Feng Xue; Qian-Jiang Zhu","Octane-1,8-diyldipyridinium dibromide dihydrate","Acta Crystallographica Section E","2008","64","1","o183","o183","10.1107/S1600536807063970","","","0.71073","MoKα","","0.0497","0.0291","","","0.0688","0.077","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217000","15.7555","0.0013","11.2726","0.0009","28.742","0.002","90","","90","","90","","5104.7","0.7","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3α,6α-Bis(ethoxycarbonyl)glycouril","diethyl 2,5-dioxoperhydroimidazo[4,5-d]imidazole-3a,6a-dicarboxylate","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C160 H224 N64 O96 -","16","2","CV2340","Wang, Yu-Zhou; Wang, Zhi-Guo; Li, Lin","3α,6α-Bis(ethoxycarbonyl)glycoluril (diethyl 2,5-dioxoperhydroimidazo[4,5-<i>d</i>]imidazole-3a,6a-dicarboxylate)","Acta Crystallographica Section E","2008","64","1","o125","o125","10.1107/S1600536807056292","","","0.71073","MoKα","","0.1111","0.0677","","","0.1749","0.197","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217022","9.1082","0.0002","9.8123","0.0002","28.5126","0.0008","90","","90","","90","","2548.24","0.1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3,4-Dimethylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","DN2302","B. Thimme Gowda; Miroslav Tokarčík; Jozef Kožíšek; B. P. Sowmya; Hartmut Fuess","<i>N</i>-(3,4-Dimethylphenyl)benzamide","Acta Crystallographica Section E","2008","64","1","o340","o340","10.1107/S1600536807066937","","","0.71073","MoKα","","0.0907","0.058","","","0.1778","0.1935","","","","","","0.966","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217023","11.129","0.003","16.181","0.004","22.429","0.006","90","","90","","90","","4039","1.8","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-<i>tert</i>-Butylbenzylsulfanyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4- carbaldehyde","","- C22 H24 N2 O S -","- C22 H24 N2 O S -","- C176 H192 N16 O8 S8 -","8","1","EM2002","Wang, Chen-Yi","5-(4-<i>tert</i>-Butylbenzylsulfanyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2008","64","1","o270","o270","10.1107/S160053680706597X","","","0.71073","MoKα","","0.1213","0.048","","","0.1105","0.1456","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217047","18.3623","0.0009","14.1565","0.0007","14.1386","0.0007","90","","90","","90","","3675.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","thiadiazole","N-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide","","- C17 H22 N4 O3 S -","- C17 H22 N4 O3 S -","- C136 H176 N32 O24 S8 -","8","1","GD2020","P. Sakthivel; P. S. Joseph; P. Thomas Muthiah; K. Sethusankar; S. Thennarasu","<i>N</i>-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide","Acta Crystallographica Section E","2008","64","1","o216","o216","10.1107/S1600536807064823","","","0.71073","MoKα","","0.0944","0.0471","","","0.1107","0.1418","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217088","15.908","0.003","15.479","0.003","16.602","0.003","90","","90","","90","","4088.1","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(<i>o</i>-tolyl)methanone]palladium(II)","","- C18 H22 Cl2 N4 O Pd -","- C18 H22 Cl2 N4 O Pd -","- C144 H176 Cl16 N32 O8 Pd8 -","8","1","HB2672","Nelana, Simphiwe M.; Kruger, Gert J.; Darkwa, James","Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole)[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)(<i>o</i>-tolyl)methanone]palladium(II)","Acta Crystallographica Section E","2008","64","1","m206","m207","10.1107/S1600536807066627","","","0.71073","MoKα","","0.0762","0.0398","","","0.0943","0.1135","","","","","","1.084","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217098","9.3039","0.0019","15.752","0.003","17.129","0.003","90","","90","","90","","2510.3","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-acetylhydrazono-2-phenylacetate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","HG2352","Liang-Zhong Xu; Xu Yi; Guang-Wei An; Gong-Sheng Zhang; Chun-Fang Li","Ethyl 2-acetylhydrazono-2-phenylacetate","Acta Crystallographica Section E","2008","64","1","o33","o33","10.1107/S1600536807060941","","","0.71073","MoKα","","0.0424","0.0368","","","0.1041","0.1099","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217114","15.5226","0.0009","5.939","0.0003","34.775","0.002","90","","90","","90","","3205.9","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-Methyl 3-{3-[(4-bromophenoxy)methyl]phenyl}acrylate","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C136 H120 Br8 O24 -","8","1","HK2392","Xin-Lin Ren; Hui-Rong Zhang; Wei-Dong Wang; Rui-Juan Tao; Hong-Wu He","(<i>E</i>)-Methyl 3-{3-[(4-bromophenoxy)methyl]phenyl}acrylate","Acta Crystallographica Section E","2008","64","1","o6","o6","10.1107/S1600536807061697","","","0.71073","MoKα","","0.1133","0.0542","","","0.1438","0.1622","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217115","8.051","0.0016","8.958","0.0018","24.22","0.005","90","","90","","90","","1746.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1,4-benzothiazepin-5(2H)-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HK2393","Chen, Zhi-Long; Hong, Feng; Zhao, Sheng-Yin","3,4-Dihydro-1,4-benzothiazepin-5(2<i>H</i>)-one","Acta Crystallographica Section E","2008","64","1","o113","o113","10.1107/S1600536807062046","","","0.71073","MoKα","","0.1013","0.0615","","","0.1389","0.166","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217154","12.265","0.003","12.994","0.003","18.192","0.004","90","","90","","90","","2899.3","1.2","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-(3-Chloro-4-methylphenyl)-2-(4-fluorophenyl)thiazolidin-4-one","","- C16 H13 Cl F N O S -","- C16 H13 Cl F N O S -","- C128 H104 Cl8 F8 N8 O8 S8 -","8","1","KP2144","Xiao-Jun Sun; Jian-Feng Zhou","3-(3-Chloro-4-methylphenyl)-2-(4-fluorophenyl)thiazolidin-4-one","Acta Crystallographica Section E","2008","64","1","o214","o214","10.1107/S1600536807057133","","","0.7107","MoKα","","0.0613","0.048","","","0.1165","0.1253","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217162","8.0538","0.0003","13.997","0.0005","14.2969","0.0005","90","","90","","90","","1611.68","0.1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Bromobenzaldehyde cyanohydrin","(2-bromophenyl)(hydroxy)acetonitrile","","- C8 H6 Br N O -","- C8 H6 Br N O -","- C64 H48 Br8 N8 O8 -","8","1","LH2526","Betz, Richard; Betzler, Franziska; Klüfers, Peter","2-Bromobenzaldehyde cyanohydrin","Acta Crystallographica Section E","2008","64","1","o55","o55","10.1107/S1600536807049604","","","0.71073","MoKα","","0.0509","0.0317","","","0.0736","0.0831","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217164","10.7109","0.0004","18.6807","0.0006","22.1814","0.0007","90","","90","","90","","4438.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triethylammonium <i>N</i>'-(benzylsulfanylthiocarbonyl)-2-hydroxybenzohydrazidate","","- C21 H29 N3 O2 S2 -","- C21 H29 N3 O2 S2 -","- C168 H232 N24 O16 S16 -","8","1","LH2550","Singh, Mamata; Srivastava, Ajay K.; Singh, N.K.; Shrivastav, Anuraag; Sharma, R.K.","Triethylammonium <i>N</i>'-(benzylsulfanylthiocarbonyl)-2-hydroxybenzohydrazidate","Acta Crystallographica Section E","2008","64","1","o339","o339","10.1107/S1600536807067037","","","0.71073","MoKα","","0.105","0.0563","","","","0.118","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217202","7.6432","0.0004","10.5118","0.0004","36.2356","0.0012","90","","90","","90","","2911.3","0.2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Chalcone","(2E)-1-(4-Methylphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one","","- C16 H11 Cl3 O -","- C16 H11 Cl3 O -","- C128 H88 Cl24 O8 -","8","1","LX2037","A. Thiruvalluvar; M. Subramanyam; R.J. Butcher; Prakash Karegoudar; B. Shivarama Holla","(2<i>E</i>)-1-(4-Methylphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","1","o60","o60","10.1107/S1600536807062010","","","0.71073","MoKα","","0.1319","0.0644","","","0.1548","0.1684","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217207","13.8147","0.0003","6.785","0.0002","21.7103","0.0005","90","","90","","90","","2034.97","0.09","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-diholmium(III)]","","- C10 H6 Ho O6 -","- C10 H6 Ho O6 -","- C80 H48 Ho8 O48 -","8","1","NC2068","Qin He; Bao-Jun Huang","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-diholmium(III)]","Acta Crystallographica Section E","2008","64","1","m237","m237","10.1107/S1600536807066950","","","0.71073","MoKα","","0.0182","0.0152","","","0.0412","0.0421","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217215","9.2791","0.0006","11.4916","0.0009","24.915","0.002","90","","90","","90","","2656.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4-benzylpiperidinium-1-ylmethyl)phosphonate","","- C13 H20 N O3 P -","- C13 H20 N O3 P -","- C104 H160 N8 O24 P8 -","8","1","NG2383","Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Mehdi","Zwitterionic (4-benzylpiperidinium-1-ylmethyl)phosphonate","Acta Crystallographica Section E","2008","64","1","o19","o19","10.1107/S1600536807061429","","","0.71073","MoKα","","0.035","0.0326","","","0.0851","0.0868","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217232","8.7553","0.0013","18.06","0.003","20.682","0.003","90","","90","","90","","3270.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)manganese(II)]","","- C26 H30 Mn2 N4 O12 P2 -","- C26 H30 Mn2 N4 O12 P2 -","- C104 H120 Mn8 N16 O48 P8 -","4","0.5","OM2188","Shao-Ming Ying; Yun Chen; Qiu-Yan Luo; Ya-Ping Xv; Dong-Sheng Liu","Bis(μ-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)manganese(II)]","Acta Crystallographica Section E","2008","64","1","m166","m166","10.1107/S1600536807065142","","","0.71073","MoKα","","0.0417","0.0301","","","0.0873","0.0895","","","","","","0.986","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217261","14.281","0.004","14.989","0.005","15.241","0.005","90","","90","","90","","3262.5","1.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(acetato-κ^2^<i>O</i>,<i>O'</i>)bis(2-aminopyridine-κ<i>N</i>)nickel(II)","","- C14 H18 N4 Ni O4 -","- C14 H18 N4 Ni O4 -","- C112 H144 N32 Ni8 O32 -","8","1","RK2064","Qiang Wang; Da-Qi Wang","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis(2-aminopyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2008","64","1","m194","m194","10.1107/S1600536807066226","","","0.71073","MoKα","","0.0516","0.0313","","","0.0747","0.0929","","","","","","0.953","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217313","8.2625","0.0012","12.8216","0.0014","15.229","0.002","90","","90","","90","","1613.3","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2,4-dibromo-6-formylphenolato-κ^2^O,O')copper(II)","","- C14 H6 Br4 Cu O4 -","- C14 H6 Br4 Cu O4 -","- C56 H24 Br16 Cu4 O16 -","4","0.5","SJ2447","Li, Guang Zhao; Zhang, Shu Hua; Liu, Zheng","Bis(2,4-dibromo-6-formylphenolato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2008","64","1","m52","m52","10.1107/S1600536807062769","","","0.71073","MoKα","","0.0485","0.0284","","","0.0627","0.0685","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217335","13.963","0.0018","11.781","0.0015","37.182","0.005","90","","90","","90","","6116.4","1.4","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{Tris[2-(imidazol-2-ylmethylimino)ethyl]methylammonium}iron(II) tris(perchlorate) dihydrate","","- C19 H31 Cl3 Fe N10 O14 -","- C19 H31 Cl3 Fe N10 O14 -","- C152 H248 Cl24 Fe8 N80 O112 -","8","1","TK2214","Brewer, Greg A.; Jasinski, Jerry P.; Butcher, Ray J.","{Tris[2-(imidazol-2-ylmethylimino)ethyl]methylammonium}iron(II) tris(perchlorate) dihydrate","Acta Crystallographica Section E","2008","64","1","m1","m1","10.1107/S1600536807061673","","","0.71073","MoKα","","0.056","0.041","","","0.1","0.108","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217388","7.8254","0.0008","19.61","0.002","22.533","0.003","90","","90","","90","","3457.8","0.7","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","","- C16 H17 Cl N2 O4 S -","- C16 H17 Cl N2 O4 S -","- C128 H136 Cl8 N16 O32 S8 -","8","1","AT2518","Zhi, Sanjun; Li, Tengfei; An, Guanghui; Pan, Yi","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2008","64","2","o357","o357","10.1107/S1600536807067712","","","0.71073","MoKα","","0.0782","0.0563","","","0.1203","0.1251","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217412","7.096","0.002","11.348","0.003","22.661","0.007","90","","90","","90","","1824.8","0.9","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluorophenyl)-5-methylimidazolidine-2,4-dione","","- C10 H9 F N2 O2 -","- C10 H9 F N2 O2 -","- C80 H72 F8 N16 O16 -","8","1","BI2269","Kashif, M. Kaleem; Hussain, Abid; Khawar Rauf, M.; Ebihara, Masahiro; Hameed, Shahid","5-(4-Fluorophenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2008","64","2","o444","o444","10.1107/S1600536807067803","","","0.7107","MoKα","","0.0463","0.0451","","","0.0936","0.0943","","","","","","1.22","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217418","6.4084","0.0013","6.4989","0.0013","19.948","0.004","90","","90","","90","","830.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[silver(I)-μ-pyrazolato-κ^2^N:N']","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C24 H24 Ag8 N16 -","8","1","BQ2042","Zhang, Chao-Yan; Feng, Jian-Bo; Gao, Qian; Xie, Ya-Bo","<i>catena</i>-Poly[silver(I)-μ-pyrazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2008","64","2","m352","m352","10.1107/S1600536807063490","","","0.71073","MoKα","","0.055","0.0406","","","0.0625","0.0658","","","","","","1.256","","","","has coordinates,has Fobs","194623","2020-10-21","18:00:00",""
"2217430","8.231","0.0016","17.446","0.004","19.261","0.004","90","","90","","90","","2765.8","1","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(dimethoxymethyl)anthracene","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","BT2672","Wang, Li; You, Wei; Huang, Wei; Jiang, Jue-Chao; Yao, Cheng","9-(Dimethoxymethyl)anthracene","Acta Crystallographica Section E","2008","64","2","o487","o487","10.1107/S1600536808001669","","","0.71073","MoKα","","0.0969","0.0519","","","0.1492","0.166","","","","","","0.896","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217476","10.3872","0.0012","12.0252","0.0013","16.3027","0.0019","90","","90","","90","","2036.3","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-tetramethylene-1,2-dihydroquinazolin-4(3H)-one","spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'<i>H</i>)-one]","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C96 H112 N16 O8 -","8","1","DN2298","Zhang, Lijun; Li, Jiarong; Shi, Daxin; Chen, Jinnan","Redetermination at 113K of 2,2-tetramethylene-1,2-dihydroquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","2","o449","o449","10.1107/S1600536807066706","","","0.7107","MoKα","","0.0452","0.0413","","","0.1012","0.1038","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217479","16.0369","0.0013","5.7514","0.0005","17.5305","0.0015","90","","90","","90","","1616.9","0.2","200","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Aminophenylsulfur pentafluoride","","- C6 H6 F5 N S -","- C6 H6 F5 N S -","- C48 H48 F40 N8 S8 -","8","1","DN2303","Nava, Eva Lina; Jesih, Adolf; Goreshnik, Evgeny","4-Aminophenylsulfur pentafluoride","Acta Crystallographica Section E","2008","64","2","o416","o416","10.1107/S160053680800024X","","","0.71069","MoKα","","0.0933","0.0307","","","0.0479","0.0651","","","","","","0.578","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217483","9.6092","0.0006","10.6487","0.0007","19.868","0.001","90","","90","","90","","2033","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(3-nitrophenyl)acetamide","","- C8 H6 Cl2 N2 O3 -","- C8 H6 Cl2 N2 O3 -","- C64 H48 Cl16 N16 O24 -","8","1","DN2307","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2,2-Dichloro-<i>N</i>-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2008","64","2","o382","o382","10.1107/S160053680706881X","","","0.71073","MoKα","","0.0492","0.0322","","","0.0791","0.0983","","","","","","1.102","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217484","14.404","0.001","8.6824","0.0006","18.71","0.001","90","","90","","90","","2339.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-<i>N</i>-phenylbenzamide","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","DN2308","B. Thimme Gowda; Sabine Foro; B. P. Sowmya; Hartmut Fuess","2-Methyl-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2008","64","2","o383","o383","10.1107/S1600536807068821","","","0.71073","MoKα","","0.0631","0.0378","","","0.0954","0.1151","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217485","9.3585","0.0002","9.7851","0.0002","25.1419","0.0006","90","","90","","90","","2302.34","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)benzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","DN2311","B. Thimme Gowda; Miroslav Tokarčík; Jozef Kožíšek; B. P. Sowmya; Hartmut Fuess","<i>N</i>-(3-Chlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","2","o462","o462","10.1107/S1600536808001311","","","0.71073","MoKα","","0.0603","0.0383","","","0.0948","0.1009","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217529","8.781","0.002","16.479","0.004","19.026","0.004","90","","90","","90","","2753.1","1.1","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dicyclohexylammonium thiocyanate","Dicyclohexylammonium thiocyanate","","- C13 H24 N2 S -","- C13 H24 N2 S -","- C104 H192 N16 S8 -","8","1","HG2363","Khawar Rauf, M.; Ebihara, Masahiro; Imtiaz-ud-Din; Badshah, Amin","Dicyclohexylammonium thiocyanate","Acta Crystallographica Section E","2008","64","2","o366","o366","10.1107/S1600536807067773","","","0.7107","MoKα","","0.0449","0.0408","","","0.0901","0.0922","","","","","","1.196","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217632","25.514","0.003","14.6064","0.0018","6.6109","0.0006","90","","90","","90","","2463.7","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(m-Tolyloxy)phthalonitrile","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C120 H80 N16 O8 -","8","1","RK2070","Zhang, Xian-Fu; Jia, Dandan; Liu, Qiang; Song, Aijun","3-(<i>m</i>-Tolyloxy)phthalonitrile","Acta Crystallographica Section E","2008","64","2","o401","o401","10.1107/S1600536807068225","","","0.71073","MoKα","","0.0881","0.0539","","","0.094","0.1092","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217669","12.6406","0.0014","17.6485","0.0014","20.5243","0.0017","90","","90","","90","","4578.7","0.7","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","μ-1,2-Bis(diethylphosphino)ethane-κ^2^P:P'-bis{[1,2-bis(diethylphosphino)ethane-κ^2^P,P']trichloridonitrosyltungsten(II)}","","- C30 H72 Cl6 N2 O2 P6 W2 -","- C30 H72 Cl6 N2 O2 P6 W2 -","- C120 H288 Cl24 N8 O8 P24 W8 -","4","0.5","SU2041","Avramović, Nataša; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz","μ-1,2-Bis(diethylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'-bis{[1,2-bis(diethylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']trichloridonitrosyltungsten(II)}","Acta Crystallographica Section E","2008","64","2","m367","m368","10.1107/S1600536808001141","","","0.71073","MoKα","","0.0308","0.0235","","","0.0556","0.0562","","","","","","0.845","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217677","11.717","0.002","8.907","0.002","22.829","0.004","90","","90","","90","","2382.5","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","ethano-strapped unsubstituted Tröger's base","6<i>H</i>,12<i>H</i>-5,11-Ethanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","TK2243","Faroughi, Masoud; Try, Andrew C.; Turner, Peter","6<i>H</i>,12<i>H</i>-5,11-Ethanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2008","64","2","o458","o458","10.1107/S1600536808000883","","","0.71073","MoKα","","0.046","0.037","","","0.092","0.099","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217694","7.5121","0.0007","11.919","0.0015","27.5","0.003","90","","90","","90","","2462.3","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","XU2392","Deveci, Özlem; Işık, Şamil; Erşahin, Ferda; Ağar, Erbil","(<i>E</i>)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol","Acta Crystallographica Section E","2008","64","2","o539","o539","10.1107/S1600536808000780","","","0.71073","MoKα","","0.1706","0.0725","","","0.1907","0.2325","","","","","","0.814","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217715","12.912","0.007","9.021","0.005","24.52","0.01","90","","90","","90","","2856","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[silver(I)-μ-[<i>N</i>-(4-pyridylmethyl)pyridine-4- carboxamide-κ^2^<i>N</i>:<i>N</i>']] nitrate monohydrate]","","- C12 H13 Ag N4 O5 -","- C12 H13 Ag N4 O5 -","- C96 H104 Ag8 N32 O40 -","8","1","BG2109","Ma, Yu-Tao; Sun, Bai-Wang; Ng, Seik Weng","<i>catena</i>-Poly[[silver(I)-μ-[<i>N</i>-(4-pyridylmethyl)pyridine-4-carboxamide-κ^2^<i>N</i>:<i>N</i>']] nitrate monohydrate]","Acta Crystallographica Section E","2008","64","3","m470","","10.1107/S1600536807049082","","","0.71073","MoKα","","0.07","0.0526","","","0.1305","0.1407","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217734","12.7573","0.0014","12.7518","0.0014","14.729","0.0017","90","","90","","90","","2396.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Acetamido-3-(4-hydroxy-3-methoxyphenyl)acrylic acid","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","CF2176","Lan, Xiao-Bing; Nan, Ye-Fei; Chen, Lin; Wang, Shi-Xiang; Zheng, Xiao-Hui","2-Acetamido-3-(4-hydroxy-3-methoxyphenyl)acrylic acid","Acta Crystallographica Section E","2008","64","3","o566","","10.1107/S1600536808001347","","","0.71073","MoKα","","0.0431","0.037","","","0.1155","0.1216","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217776","11.994","0.002","11.6933","0.0018","15.569","0.002","90","","90","","90","","2183.5","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7^]decane tetrafluoroborate","","- C7 H15 B F4 N3 P -","- C7 H15 B F4 N3 P -","- C56 H120 B8 F32 N24 P8 -","8","1","HB2695","Smoleński, Piotr; Kirillov, Alexander M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7^]decane tetrafluoroborate","Acta Crystallographica Section E","2008","64","3","o556","","10.1107/S1600536808003401","","","0.71069","MoKα","","0.0728","0.0447","","","0.1059","0.1207","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217778","9.9881","0.0011","11.8071","0.0013","14.1039","0.0015","90","","90","","90","","1663.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dichloridobis(methylamine-κN)boron(III) chloride","","- C2 H10 B Cl3 N2 -","- C2 H10 B Cl3 N2 -","- C16 H80 B8 Cl24 N16 -","8","1","HB2697","Weinmann, Markus; Nuss, Jürgen; Jansen, Martin","Dichloridobis(methylamine-κ<i>N</i>)boron(III) chloride","Acta Crystallographica Section E","2008","64","3","o583","","10.1107/S1600536808003589","","","0.71073","MoKα","","0.052","0.0431","","","0.0864","0.0891","","","","","","1.218","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217784","15.6018","0.0007","18.0682","0.0008","18.3745","0.0008","90","","90","","90","","5179.7","0.4","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{N,N-Bis[2-(trimethylsilylamino)ethyl]-N'-(trimethylsilyl)ethane-1,2- diaminato(3-)-κ^4^<i>N</i>}methylzirconium(IV)","","- C16 H42 N4 Si3 Zr -","- C16 H42 N4 Si3 Zr -","- C128 H336 N32 Si24 Zr8 -","8","1","HG2378","MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","{<i>N</i>,<i>N</i>-Bis[2-(trimethylsilylamino)ethyl]-<i>N</i>'-(trimethylsilyl)ethane-1,2-diaminato(3‒)-κ^4^<i>N</i>}methylzirconium(IV)","Acta Crystallographica Section E","2008","64","3","m477","","10.1107/S160053680800425X","","","0.71073","MoKα","","0.0364","0.0248","","","0.0568","0.0629","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217837","18.171","0.004","12.553","0.003","19.982","0.004","90","","90","","90","","4557.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Phenyl-4-(triphenylphosphanylidene)pyrrolidine-2,3,5-trione","","- C28 H20 N O3 P -","- C28 H20 N O3 P -","- C224 H160 N8 O24 P8 -","8","1","TK2239","Fan, Da-He","1-Phenyl-4-(triphenylphosphanylidene)pyrrolidine-2,3,5-trione","Acta Crystallographica Section E","2008","64","3","o570","","10.1107/S1600536808003565","","","0.71073","MoKα","","0.097","0.051","","","0.132","0.18","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217851","9.1691","0.0017","15.485","0.003","20.798","0.004","90","","90","","90","","2953","1","571","2","571","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4,6-dimethylpyrimidin-2-ylsulfanyl)-N-phenylacetamide","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C112 H120 N24 O8 S8 -","8","1","AT2550","Gao, Li-Xin; Fang, Guang-Jun; Feng, Jin-Guo; Liang, Dong; Wang, Wei","2-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2008","64","4","o760","","10.1107/S1600536808007940","","","0.71073","MoKα","","0.0934","0.0403","","","0.0912","0.1159","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217911","11.7332","0.0007","13.8506","0.0006","23.6635","0.0014","90","","90","","90","","3845.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-(5-Chloro-2-hydroxybenzylideneamino)-N-(4,6-dimethylpyrimidin-2- yl)benzenesulfonamide","","- C19 H17 Cl N4 O3 S -","- C19 H17 Cl N4 O3 S -","- C152 H136 Cl8 N32 O24 S8 -","8","1","FJ2100","Chohan, Zahid H.; Tahir, M. Nawaz; Shad, Hazoor A.; Khan, Islam Ullah","4-(5-Chloro-2-hydroxybenzylideneamino)-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","Acta Crystallographica Section E","2008","64","4","o648","","10.1107/S1600536808005606","","","0.71073","MoKαradiation","","","0.0493","","","0.1118","0.1479","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217922","11.8142","0.0008","8.9111","0.0007","14.9705","0.001","90","","90","","90","","1576.06","0.19","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaquadipyridinezinc(II)]-μ-succinato]","","- C14 H18 N2 O6 Zn -","- C14 H18 N2 O6 Zn -","- C56 H72 N8 O24 Zn4 -","4","0.5","HB2701","Duangthongyou, Tanwawan; Siripaisarnpipat, Sutatip","<i>catena</i>-Poly[[diaquadipyridinezinc(II)]-μ-succinato]","Acta Crystallographica Section E","2008","64","4","m560","","10.1107/S1600536808006764","","","0.71073","Mokα","","0.1119","0.0654","","0.1258","","0.1075","","","","","","1.128","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2217944","8.6691","0.0006","13.4779","0.0007","31.493","0.0015","90","","90","","90","","3679.7","0.4","296","","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Acetyl-3-ferrocenyl-5-(2-nitrophenyl)-2-pyrazoline","","- C21 H19 Fe N3 O3 -","- C21 H19 Fe N3 O3 -","- C168 H152 Fe8 N24 O24 -","8","1","HY2116","Turgut Cin, Günseli; Demirel, Seda; Karadayı, Nevzat; Büyükgüngör, Orhan","1-Acetyl-3-ferrocenyl-5-(2-nitrophenyl)-2-pyrazoline","Acta Crystallographica Section E","2008","64","4","m514","m515","10.1107/S1600536808004236","","","0.71073","MoKα","","0.0679","0.0371","","","0.0769","0.086","","","","","","0.938","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217967","12.852","0.003","7.043","0.002","17.69","0.004","90","","90","","90","","1601.2","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-6-nitro-1H-benzimidazole","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C64 H56 N24 O16 -","8","1","NC2091","Lokaj, Jan; Kettmann, Viktor; Solčan, Tomáš; Katuščák, Svetozar","1-Methyl-6-nitro-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","4","o671","o672","10.1107/S1600536808005886","","","0.71073","MoKα","","0.0742","0.045","","","0.1167","0.1297","","","","","","0.959","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218004","7.8053","0.0009","13.8621","0.0017","24.101","0.003","90","","90","","90","","2607.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Chloro-4-nitrophenyl)-2-nitrobenzamide","","- C13 H8 Cl N3 O5 -","- C13 H8 Cl N3 O5 -","- C104 H64 Cl8 N24 O40 -","8","1","SI2073","Saeed, Aamer; Hussain, Shahid; Flörke, Ulrich","<i>N</i>-(2-Chloro-4-nitrophenyl)-2-nitrobenzamide","Acta Crystallographica Section E","2008","64","4","o705","","10.1107/S1600536808006430","","","0.71073","MoKα","","0.0615","0.0427","","","0.0982","0.1073","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218017","13.52","0.002","9.81","0.003","24.102","0.003","90","","90","","90","","3196.7","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dithiocyanate","","- C28 H40 N6 Ni O4 S2 -","- C28 H40 N6 Ni O4 S2 -","- C112 H160 N24 Ni4 O16 S8 -","4","0.5","SU2049","Ma, Hong-Bo; Jiang, Yan-Xia; Lei, Jun-Tao","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dithiocyanate","Acta Crystallographica Section E","2008","64","4","m597","m598","10.1107/S1600536808008052","","","0.71073","MoKα","","0.1629","0.07","","","0.1429","0.1754","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218018","13.2879","0.0016","7.5426","0.0009","17.125","0.002","90","","90","","90","","1716.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(phenylphosphino)cyclo-tetramethyldihydrazine","1,2,4,5-Tetramethyl-3,6-diphenyl-1,2,4,5-tetraaza-3,6-diphosphinane","","- C16 H22 N4 P2 -","- C16 H22 N4 P2 -","- C64 H88 N16 P8 -","4","0.5","TK2250","Kriel, Frederik H.; Caddy, Judy; Fernandes, Manuel A.","1,2,4,5-Tetramethyl-3,6-diphenyl-1,2,4,5-tetraaza-3,6-diphosphinane","Acta Crystallographica Section E","2008","64","4","o708","","10.1107/S160053680800665X","","","0.71073","MoKα","","0.037","0.03","","","0.089","0.094","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218020","15.6229","0.0005","12.8014","0.0004","22.6866","0.0016","90","","90","","90","","4537.2","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","6-(2-Chlorobenzylamino)purinium tetrachlorido(dimethyl sulfoxide-κ<i>O</i>)(nitrosyl-κ<i>N</i>)ruthenate(III) monohydrate","","- C14 H19 Cl5 N6 O3 Ru S -","- C14 H19 Cl5 N6 O3 Ru S -","- C112 H152 Cl40 N48 O24 Ru8 S8 -","8","1","TK2253","Trávníček, Zdeněk; Matiková-Maľarová, Miroslava; Štěpánková, Kamila","6-(2-Chlorobenzylamino)purinium tetrachlorido(dimethyl sulfoxide-κ<i>O</i>)(nitrosyl-κ<i>N</i>)ruthenate(III) monohydrate","Acta Crystallographica Section E","2008","64","4","m545","m546","10.1107/S1600536808006673","","","0.71073","MoKα","","0.035","0.031","","","0.077","0.079","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218028","12.2386","0.0002","9.0701","0.0001","23.0822","0.0003","90","","90","","90","","2562.25","0.06","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-<i>exo</i>,5-<i>endo</i>,8,8,10-Pentachlorobornane","","- C10 H13 Cl5 -","- C10 H13 Cl5 -","- C80 H104 Cl40 -","8","1","ZL2100","Valkonen, Arto; Kolehmainen, Erkki; Nikiforov, Vladimir","2-<i>exo</i>,5-<i>endo</i>,8,8,10-Pentachlorobornane","Acta Crystallographica Section E","2008","64","4","o688","","10.1107/S1600536808006235","","","0.71073","MoKα","","0.0951","0.0911","","","0.1897","0.1913","","","","","","1.255","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218044","13.064","0.0003","7.4162","0.0002","21.6698","0.0006","90","","90","","90","","2099.48","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Phenylimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","BG2180","Anaflous, Abderrahman; Albay, Hanane; Benchat, Nour-eddine; El Bali, Brahim; Dušek, Michal; Fejfarová, Karla","2-Phenylimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","Acta Crystallographica Section E","2008","64","5","o927","","10.1107/S1600536808011306","","","0.71069","MoKα","","0.0561","0.0314","","","0.0742","0.0773","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218050","22.566","0.0016","12.1356","0.0012","26.03","0.002","90","","90","","90","","7128.4","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Bis(4-chlorobenzoyl)-1-(4-chlorophenyl)-3,5-di-2-thienylcyclohexanol methanol hemisolvate","","- C34.5 H27 Cl3 O3.5 S2 -","- C34.5 H27 Cl3 O3.5 S2 -","- C276 H216 Cl24 O28 S16 -","8","1","BI2281","Wang, Xiao-Fang; Huang, Xian-Qiang","2,4-Bis(4-chlorobenzoyl)-1-(4-chlorophenyl)-3,5-di-2-thienylcyclohexanol methanol hemisolvate","Acta Crystallographica Section E","2008","64","5","o777","","10.1107/S1600536808008428","","","0.71073","MoKα","","0.155","0.0801","","","0.2047","0.2897","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218061","8.0078","0.0003","27.357","0.0009","11.5563","0.0005","90","","90","","90","","2531.63","0.17","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione","","- C14 H6 Cl2 F N O2 -","- C14 H6 Cl2 F N O2 -","- C112 H48 Cl16 F8 N8 O16 -","8","1","BT2693","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2008","64","5","o882","","10.1107/S1600536808010544","","","0.71073","MoKα","","0.0425","0.0312","","","0.0802","0.0848","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218066","13.948","0.003","6.8724","0.0014","21.844","0.004","90","","90","","90","","2093.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)(μ~4~-succinato)diterbium(III)]","","- C10 H6 O6 Tb -","- C10 H6 O6 Tb -","- C80 H48 O48 Tb8 -","8","1","BT2699","Yu, Chun-Hui","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)(μ~4~-succinato)diterbium(III)]","Acta Crystallographica Section E","2008","64","5","m735","","10.1107/S1600536808011355","","","0.71073","MoKα","","0.0207","0.0174","","","0.0399","0.0409","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218079","13.557","0.005","13.302","0.005","17.371","0.007","90","","90","","90","","3133","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II) bis(perchlorate)","","- C24 H36 Cl2 N4 Ni O12 -","- C24 H36 Cl2 N4 Ni O12 -","- C96 H144 Cl8 N16 Ni4 O48 -","4","0.5","CI2578","He, Yin-Ting","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2008","64","5","m646","m647","10.1107/S1600536808009562","","","0.71073","MoKα","","0.0854","0.0554","","","0.1609","0.1879","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218083","12.5485","0.00001","7.4775","0.00001","28.7764","0.0003","90","","90","","90","","2700.13","0.03","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(2,4-Dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one","1-(2,4-Dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O -","- C16 H12 Cl2 O -","- C128 H96 Cl16 O8 -","8","1","CI2584","Fun, Hoong-Kun; Jebas, Samuel Robinson; Patil, P. S.; Dharmaprakash, S. M.","1-(2,4-Dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","5","o936","","10.1107/S1600536808011008","","","0.71073","MoKα","","0.0751","0.0453","","","0.1302","0.1483","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218173","13.7282","0.0002","15.025","0.0002","19.2094","0.0003","90","","90","","90","","3962.25","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorido{5,5'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","","- C22 H18 Cl Mn N2 O4 -","- C22 H18 Cl Mn N2 O4 -","- C176 H144 Cl8 Mn8 N16 O32 -","8","1","IS2286","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana","Chlorido{5,5'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","Acta Crystallographica Section E","2008","64","5","m670","m671","10.1107/S1600536808009835","","","0.71073","MoKα","","0.0644","0.0383","","","0.0856","0.0953","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218197","10.47","0.0011","14.0482","0.0015","25.409","0.003","90","","90","","90","","3737.3","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)(4- chlorophenyl)methyl]malononitrile","","- C20 H16 Cl N5 -","- C20 H16 Cl N5 -","- C160 H128 Cl8 N40 -","8","1","NC2101","Zhang, Xin-Ying; Li, Xiao-Yan; Wang, Xia; Li, Dong-Fang; Fan, Xue-Sen","2-[(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)(4-chlorophenyl)methyl]malononitrile","Acta Crystallographica Section E","2008","64","5","o908","","10.1107/S1600536808011562","","","0.71073","MoKα","","0.0729","0.0405","","","0.0969","0.1181","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218304","12.9179","0.0012","9.5885","0.0007","17.5811","0.0015","90","","90","","90","","2177.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 2-(dihydroxyboryl)pyrrole-1-carboxylate","","- C9 H14 B N O4 -","- C9 H14 B N O4 -","- C72 H112 B8 N8 O32 -","8","1","BG2173","Klis, Tomasz; Serwatowski, Janusz","<i>tert</i>-Butyl 2-(dihydroxyboryl)pyrrole-1-carboxylate","Acta Crystallographica Section E","2008","64","6","o1054","","10.1107/S1600536808013482","","","0.71073","MoKα","","0.0476","0.0306","","","0.0735","0.0762","","","","","","0.965","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218329","8.227","0.0016","9.575","0.0019","37.375","0.007","90","","90","","90","","2944.2","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-benzimidazole","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","BT2706","Khalaji, Aliakbar Dehno; Jian, Fangfang; Xiao, Hailian; Harrison, William T. A.","2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","6","o1093","","10.1107/S1600536808014189","","","0.71073","MoKα","","0.2215","0.0513","","","0.0937","0.1431","","","","","","0.935","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218356","7.1232","0.0001","10.0757","0.0002","43.0262","0.0007","90","","90","","90","","3088.04","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one","2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one","","- C15 H9 Br2 Cl2 F O -","- C15 H9 Br2 Cl2 F O -","- C120 H72 Br16 Cl16 F8 O8 -","8","1","CI2588","Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Karthikeyan, M. S.; Patil, P. S.; Dharmaprakash, S. M.","2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one","Acta Crystallographica Section E","2008","64","6","o1039","","10.1107/S1600536808013238","","","0.71073","MoKα","","0.0848","0.0408","","","0.0724","0.0891","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218418","13.051","0.003","9.838","0.002","18.637","0.004","90","","90","","90","","2392.9","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-Methyl 2-[4-(dimethylamino)benzylidene]hydrazinecarboxylate","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C88 H120 N24 O16 -","8","1","HB2730","Hu, Xian-Chao; Lv, Lu-Ping; Li, Wei-Wei; Yu, Wen-Bo","(<i>E</i>)-Methyl 2-[4-(dimethylamino)benzylidene]hydrazinecarboxylate at 123 K","Acta Crystallographica Section E","2008","64","6","o1081","","10.1107/S1600536808013950","","","0.71073","MoKα","","0.061","0.0456","","","0.1239","0.1335","","","","","","1.108","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218439","9.169","0.0018","15.559","0.003","20.96","0.004","90","","90","","90","","2990.2","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3-aminophenyl) sulfone acetonitrile solvate","","- C14 H15 N3 O2 S -","- C14 H15 N3 O2 S -","- C112 H120 N24 O16 S8 -","8","1","HK2464","Yao, Wei; Li, Fang-Shi; Yu, Da-Sheng; Lu, Chui; Zhu, Jin-Na","Bis(3-aminophenyl) sulfone acetonitrile solvate","Acta Crystallographica Section E","2008","64","6","o1140","","10.1107/S1600536808014840","","","0.71073","MoKα","","0.1007","0.0549","","","0.1193","0.1354","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218473","7.2777","0.0001","11.2686","0.0002","30.2365","0.0006","90","","90","","90","","2479.68","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one","","- C15 H10 Cl2 O -","- C15 H10 Cl2 O -","- C120 H80 Cl16 O8 -","8","1","LH2627","Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Patil, P. S.; Dharmaprakash, S. M.; Deepak D'Silva, E.","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","6","o1177","","10.1107/S1600536808015420","","","0.71073","MoKα","","0.068","0.0454","","","0.1164","0.1266","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218525","5.9616","0.0012","14.935","0.003","22.142","0.004","90","","90","","90","","1971.4","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chlorido(methyl phenyl sulfide-κS)mercury(II)]-μ-chlorido]","","- C7 H8 Cl2 Hg S -","- C7 H8 Cl2 Hg S -","- C56 H64 Cl16 Hg8 S8 -","8","1","SG2244","Vigo, Ludmila; Salin, Pekka; Oilunkaniemi, Raija; Laitinen, Risto S.","<i>catena</i>-Poly[[chlorido(methyl phenyl sulfide-κ<i>S</i>)mercury(II)]-μ-chlorido]","Acta Crystallographica Section E","2008","64","6","m809","","10.1107/S1600536808013718","","","0.71073","MoKα","","0.0406","0.0345","","","0.0878","0.0923","","","","","","1.073","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218549","14.871","0.003","13.563","0.003","24.993","0.005","90","","90","","90","","5041","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[(E)-4-chloro-2-(cyclohexyliminomethyl)phenolato]nickel(II)","","- C26 H30 Cl2 N2 Ni O2 -","- C26 H30 Cl2 N2 Ni O2 -","- C208 H240 Cl16 N16 Ni8 O16 -","8","1","SJ2506","Xia, Dong-Sheng; Chen, Wu; Zhao, Yu-Min; Zeng, Qing-Fu","Bis[(<i>E</i>)-4-chloro-2-(cyclohexyliminomethyl)phenolato]nickel(II)","Acta Crystallographica Section E","2008","64","6","m843","","10.1107/S1600536808015390","","","0.71073","MoKα","","0.148","0.0662","","","0.1282","0.1622","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218565","9.6002","0.0003","17.1594","0.0007","17.673","0.0005","90","","90","","90","","2911.34","0.17","160","1","160","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","cyclohex-2-enone derivative","3-Methyl-5-(3-phenoxyphenyl)cyclohex-2-enone","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","WN2258","Mohan, R. T. Sabapathy; Kamatchi, S.; Subramanyam, M.; Thiruvalluvar, A.; Linden, A.","3-Methyl-5-(3-phenoxyphenyl)cyclohex-2-enone","Acta Crystallographica Section E","2008","64","6","o1020","","10.1107/S1600536808012956","","","0.71073","MoKα","","0.1076","0.0696","","","0.171","0.1983","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218644","12.562","0.009","7.568","0.005","24.531","0.018","90","","90","","90","","2332","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-[1-(4-Methoxyanilino)ethylidene]-4,5-dihydrofuran-2(3<i>H</i>)-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","CI2605","Zhang, Li-Ping; Ni, Cai-Hua; Zhang, Zhan-Hui","(<i>Z</i>)-3-[1-(4-Methoxyanilino)ethylidene]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","7","o1328","","10.1107/S1600536808016504","","","0.71073","MoKα","","0.0971","0.0635","","","0.125","0.1404","","","","","","1.196","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218651","8.425","0.0017","7.226","0.0014","28.295","0.006","90","","90","","90","","1722.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-7-nitro-2,3-dihydro-1-benzofuran","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","CI2613","Feng, Mei-Li; Li, Yu-Feng; Liu, Shan; Yang, Hai-Yu; Zhu, Hong-Jun","2-Methyl-7-nitro-2,3-dihydro-1-benzofuran","Acta Crystallographica Section E","2008","64","7","o1281","","10.1107/S1600536808017728","","","0.71073","MoKα","","0.1261","0.0655","","","0.1483","0.1823","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218654","14.699","0.001","8.736","0.001","20.445","0.002","90","","90","","90","","2625.4","0.4","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzamide","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C104 H64 Cl24 N8 O8 -","8","1","CI2616","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","2-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","7","o1294","","10.1107/S1600536808018072","","","0.71073","MoKα","","0.1374","0.0555","","","0.1458","0.2304","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218658","11.7961","0.0003","7.613","0.0002","21.2977","0.0005","90","","90","","90","","1912.61","0.08","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dimethyl-4,4'-bipyridine","","- C12 H12 N2 -","- C12 H12 N2 -","- C96 H96 N16 -","8","1","CS2078","Ibragimov, Bahtier; Weber, Edwin; Peukert, Max; Fischer, Conrad; Seichter, Wilhelm","2,2'-Dimethyl-4,4'-bipyridine","Acta Crystallographica Section E","2008","64","7","o1287","","10.1107/S1600536808017807","","","0.71073","MoKα","","0.0656","0.0447","","","0.1255","0.1391","","","","","","0.905","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218741","14.2365","0.0005","9.2098","0.0004","26.3865","0.001","90","","90","","90","","3459.7","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Naphthyl 9H-carbazole-4-sulfonate","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C176 H120 N8 O24 S8 -","8","1","IS2296","Arulmozhi, R.; Vennila, Jasmine P.; Babu, Sunil Manohar; Kavitha, Helen P.; Manivannan, V.","1-Naphthyl 9<i>H</i>-carbazole-4-sulfonate","Acta Crystallographica Section E","2008","64","7","o1208","","10.1107/S1600536808016334","","","0.71073","MoKα","","0.0796","0.0428","","","0.1143","0.1441","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218742","6.6033","0.0003","16.0751","0.0007","30.2216","0.0012","90","","90","","90","","3208","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalene","","- C19 H15 Cl O3 -","- C19 H15 Cl O3 -","- C152 H120 Cl8 O24 -","8","1","IS2299","Mitsui, Ryosuke; Nakaema, Kosuke; Noguchi, Keiichi; Okamoto, Akiko; Yonezawa, Noriyuki","1-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalene","Acta Crystallographica Section E","2008","64","7","o1278","","10.1107/S1600536808017297","","","1.54187","CuKα","","0.0456","0.0401","","","0.1125","0.1176","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218786","9.214","0.001","15.735","0.002","18.816","0.002","90","","90","","90","","2728","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Amino-2,4,6-triiodoisophthalic acid monohydrate","","- C8 H6 I3 N O5 -","- C8 H6 I3 N O5 -","- C64 H48 I24 N8 O40 -","8","1","PK2102","Beck, Tobias; Sheldrick, George M.","5-Amino-2,4,6-triiodoisophthalic acid monohydrate","Acta Crystallographica Section E","2008","64","7","o1286","","10.1107/S1600536808017741","","","1.54178","CuKα","","0.0276","0.0256","","","0.0598","0.061","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218843","10.2472","0.0004","11.2723","0.0004","38.4188","0.0015","90","","90","","90","","4437.7","0.3","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","piperidin-4-one Oxime","t-3-Benzyl-r-2,c-6-bis(4-methoxyphenyl)piperidin-4-one oxime","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C208 H224 N16 O24 -","8","1","WN2266","Jayabharathi, J.; Thangamani, A.; Balamurugan, S.; Thiruvalluvar, A.; Linden, A.","<i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one oxime","Acta Crystallographica Section E","2008","64","7","o1211","","10.1107/S1600536808016449","","","0.71073","MoKα","","0.1356","0.0703","","","0.143","0.2109","","","","","","1.083","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218851","15.6338","0.0006","16.9231","0.0006","17.938","0.0007","90","","90","","90","","4745.9","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(1-ethyl-3-methylimidazolium) β-hexacosaoxidooctamolybdate","","- C24 H44 Mo8 N8 O26 -","- C24 H44 Mo8 N8 O26 -","- C96 H176 Mo32 N32 O104 -","4","0.5","YA2072","Lin, Shiwei; Chen, Weilin; Zhang, Zhiming; Liu, Wenli; Wang, Enbo","Tetrakis(1-ethyl-3-methylimidazolium) β-hexacosaoxidooctamolybdate","Acta Crystallographica Section E","2008","64","7","m954","","10.1107/S1600536808015936","","","0.71073","MoKα","","0.037","0.026","","","0.064","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218870","14.469","0.002","8.0602","0.0012","31.554","0.004","90","","90","","90","","3679.9","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","AT2592","Guo, Huan-Mei; Liu, Li; Jian, Fang-Fang","2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2008","64","8","o1626","","10.1107/S1600536808023003","","","0.71073","MoKα","","0.0981","0.0495","","","0.1011","0.1176","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218874","8.7159","0.0017","12.817","0.003","20.737","0.004","90","","90","","90","","2316.6","0.8","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>trans</i>-4-(1-Naphthyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C112 H88 N8 O32 -","8","1","BG2191","Yang, Jiao-Yan; Ming, Zhi-Hui; An, Jing; Hua, Qiu-Lin; Lu, Liang-Qiu","<i>trans</i>-4-(1-Naphthyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid","Acta Crystallographica Section E","2008","64","8","o1484","","10.1107/S1600536808019132","","","0.71073","MoKα","","0.0411","0.0361","","","0.0896","0.0927","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218885","8.1564","0.0008","12.4746","0.0012","14.7296","0.0014","90","","90","","90","","1498.7","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[copper(II)-bis(μ-2,4-dichloro-6-formylphenolato)-\ κ^3^<i>O</i>,<i>O</i>':Cl^4^;κ^3^Cl^4^:<i>O</i>,<i>O</i>']","","- C14 H6 Cl4 Cu O4 -","- C14 H6 Cl4 Cu O4 -","- C56 H24 Cl16 Cu4 O16 -","4","0.5","BI2288","Fan, Ying; You, Wei; Liu, Jian-Lan; Qian, Hui-Fen; Huang, Wei","<i>catena</i>-Poly[copper(II)-bis(μ-2,4-dichloro-6-formylphenolato)-κ^3^<i>O</i>,<i>O</i>':<i>Cl</i>^4^;κ^3^<i>Cl</i>^4^:<i>O</i>,<i>O</i>']","Acta Crystallographica Section E","2008","64","8","m1011","","10.1107/S1600536808020424","","","0.71073","MoKα","","0.041","0.0331","","","0.0999","0.1029","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218915","9.658","0.0008","10.3177","0.0008","23.067","0.002","90","","90","","90","","2298.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(4-methylphenylsulfonyl)acetamide","","- C9 H9 Cl2 N O3 S -","- C9 H9 Cl2 N O3 S -","- C72 H72 Cl16 N8 O24 S8 -","8","1","BT2744","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut","2,2-Dichloro-<i>N</i>-(4-methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2008","64","8","o1492","","10.1107/S160053680802134X","","","0.71073","MoKα","","0.0454","0.0335","","","0.0863","0.0994","","","","","","1.135","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218935","11.342","0.003","7.6114","0.0017","24.986","0.005","90","","90","","90","","2157","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl <i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]hydrazinecarboxylate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","CI2620","Cheng, Xiang-Wei","Ethyl <i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]hydrazinecarboxylate at 123K","Acta Crystallographica Section E","2008","64","8","o1396","","10.1107/S1600536808019818","","","0.71073","MoKα","","0.0512","0.0397","","","0.1161","0.1252","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218944","9.5909","0.0005","10.175","0.0005","23.256","0.001","90","","90","","90","","2269.49","0.19","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(4-chlorophenylsulfonyl)acetamide","","- C8 H6 Cl3 N O3 S -","- C8 H6 Cl3 N O3 S -","- C64 H48 Cl24 N8 O24 S8 -","8","1","CI2630","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut","2,2-Dichloro-<i>N</i>-(4-chlorophenylsulfonyl)acetamide","Acta Crystallographica Section E","2008","64","8","o1521","","10.1107/S1600536808021715","","","0.71073","MoKα","","0.0484","0.0269","","","0.062","0.0729","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218966","9.3998","0.0017","9.0945","0.0016","22.319","0.004","90","","90","","90","","1908","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-Methyl N'-(2-hydroxybenzylidene)hydrazinecarboxylate","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C72 H80 N16 O24 -","8","1","CV2431","Sun, Rong; Cheng, Xiang-Wei","(<i>E</i>)-Methyl <i>N</i>'-(2-hydroxybenzylidene)hydrazinecarboxylate at 123 K","Acta Crystallographica Section E","2008","64","8","o1563","","10.1107/S1600536808022332","","","0.71073","MoKα","","0.0454","0.0379","","","0.1127","0.1196","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218988","11.687","0.001","10.0187","0.0008","22.108","0.002","90","","90","","90","","2588.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","FB2099","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(2,6-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2008","64","8","o1605","","10.1107/S160053680802309X","","","0.71073","MoKα","","0.0582","0.0365","","","0.1059","0.1269","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219051","9.1636","0.0018","9.8195","0.0018","24.165","0.004","90","","90","","90","","2174.4","0.7","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>Z</i>,3<i>Z</i>)-3,4-Dihydro-2<i>H</i>-1,4-benzothiazine-2,3-dione dioxime dihydrate","","- C8 H11 N3 O4 S -","- C8 H11 N3 O4 S -","- C64 H88 N24 O32 S8 -","8","1","HK2502","Kakanejadifard, Ali; Amani, Vahid","(2<i>Z</i>,3<i>Z</i>)-3,4-Dihydro-2<i>H</i>-1,4-benzothiazine-2,3-dione dioxime dihydrate","Acta Crystallographica Section E","2008","64","8","o1628","","10.1107/S1600536808023301","","","0.71073","MoKα","","0.085","0.0458","","","0.0962","0.1072","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219067","17.1945","0.0013","17.6887","0.0013","21.4633","0.0016","90","","90","","90","","6528","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[<i>N</i>'-(1,3-Dioxoindan-2-ylidene)-2-oxidobenzohydrazidato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>]tripyridinenickel(II) pyridine solvate","","- C36 H28 N6 Ni O4 -","- C36 H28 N6 Ni O4 -","- C288 H224 N48 Ni8 O32 -","8","1","IS2292","Liu, Wei-Sheng; Wu, Da-Xiang; Chen, Jia-Yu; Wang, Hui-Juan; Tang, Xiao-Liang","[<i>N</i>'-(1,3-Dioxoindan-2-ylidene)-2-oxidobenzohydrazidato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>]tripyridinenickel(II) pyridine solvate","Acta Crystallographica Section E","2008","64","8","m1088","","10.1107/S1600536808023489","","","0.71073","MoKα","","0.0851","0.038","","","0.0751","0.0926","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219089","11.4195","0.0008","10.5861","0.0007","13.1401","0.0009","90","","90","","90","","1588.48","0.19","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo-trimethylenetrinitramine","1,3,5-trinitro-1,3,5-triazacyclohexane","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","LH2649","Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy","Redetermination of <i>cyclo</i>-trimethylenetrinitramine","Acta Crystallographica Section E","2008","64","8","o1428","","10.1107/S1600536808019727","","","0.71073","MoKα","","0.0365","0.0317","","","0.0781","0.0817","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219099","8.7192","0.0002","11.5819","0.0002","26.4769","0.0006","90","","90","","90","","2673.77","0.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Bromo-1-(4-methylphenyl)-3-phenylprop-2-en-1-one","","","- C16 H13 Br O -","- C16 H13 Br O -","- C128 H104 Br8 O8 -","8","1","LH2662","Fun, Hoong-Kun; Jebas, Samuel Robinson; Patil, P. S.; Karthikeyan, M. S.; Dharmaprakash, S. M.","2-Bromo-1-(4-methylphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1559","","10.1107/S1600536808022289","","","0.71073","MoKα","","0.0835","0.041","","","0.0762","0.0903","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219111","11.99","0.0018","9.2986","0.0014","25.868","0.004","90","","90","","90","","2884","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzyl-2-(2-chloro-4-methylphenoxy)acetamide","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C128 H128 Cl8 N8 O16 -","8","1","NC2110","Li, Zhu-Bo; Zuo, Hua; Dong, Wen-Liang; He, Xiao-Yan; Chen, Zhang-Bao","<i>N</i>-Benzyl-2-(2-chloro-4-methylphenoxy)acetamide","Acta Crystallographica Section E","2008","64","8","o1609","","10.1107/S1600536808022526","","","0.71073","MoKα","","0.0903","0.0455","","","0.1097","0.1326","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219112","14.8886","0.001","8.6579","0.0006","22.9867","0.0014","90","","90","","90","","2963.1","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzyl-2-(2,6-dichlorophenoxy)acetamide","","- C15 H13 Cl2 N O2 -","- C15 H13 Cl2 N O2 -","- C120 H104 Cl16 N8 O16 -","8","1","NC2111","Li, Zhu-Bo; Luo, Yong-Huang; Dong, Wen-Liang; Li, Jing; Zuo, Hua","<i>N</i>-Benzyl-2-(2,6-dichlorophenoxy)acetamide","Acta Crystallographica Section E","2008","64","8","o1610","","10.1107/S1600536808022514","","","0.71073","MoKα","","0.0804","0.0445","","","0.1126","0.1313","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219166","12.772","0.0003","12.9761","0.0002","21.9732","0.0005","90","","90","","90","","3641.63","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1<i>H</i>-benzimidazole","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C160 H128 Cl16 N16 O16 -","8","1","SI2098","Özel Güven, Özden; Erdoğan, Taner; Coles, Simon J.; Hökelek, Tuncer","1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","8","o1437","","10.1107/S1600536808020758","","","0.71073","MoKα","","0.0634","0.0472","","","0.1133","0.1223","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219180","9.669","0.001","10.462","0.001","21.024","0.002","90","","90","","90","","2126.7","0.4","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(phenylsulfonyl)acetamide","","- C8 H7 Cl2 N O3 S -","- C8 H7 Cl2 N O3 S -","- C64 H56 Cl16 N8 O24 S8 -","8","1","TK2284","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut","2,2-Dichloro-<i>N</i>-(phenylsulfonyl)acetamide","Acta Crystallographica Section E","2008","64","8","o1522","","10.1107/S1600536808021831","","","0.71073","MoKα","","0.062","0.045","","","0.107","0.127","","","","","","1.13","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219192","31.6377","0.0015","8.6787","0.0004","8.5308","0.0003","90","","90","","90","","2342.34","0.18","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Furylcarbonyl)piperidine-1-carbothioamide","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C88 H112 N16 O16 S8 -","8","1","WW2121","Duque, J.; Estévez-Hernández, O.; Mascarenhas, Yvonne; Ellena, J.; Corrêa, Rodrigo S.","<i>N</i>-(2-Furylcarbonyl)piperidine-1-carbothioamide","Acta Crystallographica Section E","2008","64","8","o1457","","10.1107/S1600536808020977","","","0.71073","MoKα","","","0.0673","","","","0.2047","","","","","","1.105","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219201","9.3129","0.0002","8.1166","0.0001","24.0475","0.0004","90","","90","","90","","1817.73","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","XU2439","Özel Güven, Özden; Tahtacı, Hakan; Coles, Simon J.; Hökelek, Tuncer","1-Phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2008","64","8","o1604","","10.1107/S1600536808023258","","","0.71073","MoKα","","0.0697","0.0601","","","0.1356","0.1449","","","","","","1.173","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219224","12.852","0.003","7.4068","0.0015","22.561","0.004","90","","90","","90","","2147.6","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyloxypyridin-2-amine","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","AT2616","Lin, De-Jun; Sun, Yu; Li, Zhong-Shu; Sun, Bai-Wang","3-Benzyloxypyridin-2-amine","Acta Crystallographica Section E","2008","64","9","o1846","","10.1107/S160053680802730X","","","0.71073","MoKα","","0.1261","0.0667","","","0.1351","0.1571","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219230","11.2532","0.0018","10.431","0.0017","17.226","0.003","90","","90","","90","","2022","0.6","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-Methyl N'-[1-(4-hydroxyphenyl)ethylidene]hydrazinecarboxylate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","BG2200","Lv, Lu-Ping; Xie, Jian-Wu; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-[1-(4-hydroxyphenyl)ethylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","9","o1675","","10.1107/S1600536808024227","","","0.71073","MoKα","","0.0367","0.0328","","","0.0939","0.0979","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219232","6.642","0.0003","14.7273","0.0006","26.0161","0.001","90","","90","","90","","2544.86","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aqua[μ-N'-(carboxymethyl)ethylenediamine-N,N,N'-triacetato]neodymium(III)]","","- C10 H15 N2 Nd O9 -","- C10 H15 N2 Nd O9 -","- C80 H120 N16 Nd8 O72 -","8","1","BG2202","Huang, Xiao-Hui; Xu, Xiao-Hong; Pan, Wei-Bo; Zeng, Rong-Hua","Poly[aqua[μ-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]neodymium(III)]","Acta Crystallographica Section E","2008","64","9","m1194","","10.1107/S1600536808026445","","","0.71073","MoKα","","0.0241","0.0188","","","0.039","0.0409","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219233","14.1128","0.0008","15.3684","0.0009","15.9839","0.0009","90","","90","","90","","3466.8","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(hexamethylenetetramine-κN)bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)","","- C10 H22 Co N6 O3 S2 -","- C10 H22 Co N6 O3 S2 -","- C80 H176 Co8 N48 O24 S16 -","8","1","BH2177","Shang, Wei-Li; Bai, Yan; Ma, Chao-Zhong; Li, Zhi-Min","Aqua(hexamethylenetetramine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2008","64","9","m1184","m1185","10.1107/S160053680802357X","","","0.71073","MoKα","","0.0375","0.0285","","","0.071","0.0752","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219239","9.9291","0.0002","10.3636","0.0002","25.8862","0.0005","90","","90","","90","","2663.72","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(carboxymethyl)ammonium 4-toluenesulfonate","","- C11 H15 N O7 S -","- C11 H15 N O7 S -","- C88 H120 N8 O56 S8 -","8","1","BH2187","Lo, Kong Mun; Ng, Seik Weng","Bis(carboxymethyl)ammonium 4-toluenesulfonate","Acta Crystallographica Section E","2008","64","9","o1798","","10.1107/S1600536808026214","","","0.71073","MoKα","","0.0511","0.0377","","","0.1032","0.1189","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219244","9.5387","0.0002","11.2724","0.0003","29.7796","0.0007","90","","90","","90","","3202.02","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(2-Hydroxy-5-nitrobenzylidene)-2-(1<i>H</i>-indol-3-yl)acetohydrazide","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","BQ2091","Puvaneswary, Subramaniam; Ali, Hapipah M.; Robinson, Ward T.; Ng, Seik Weng","<i>N</i>'-(2-Hydroxy-5-nitrobenzylidene)-2-(1<i>H</i>-indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2008","64","9","o1777","","10.1107/S1600536808026044","","","0.71073","MoKα","","0.0965","0.0442","","","0.1236","0.1596","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219258","13.926","0.0006","10.1995","0.0005","27.3014","0.0014","90","","90","","90","","3877.8","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7,9-Dimethyl-5-phenylsulfonyl-5<i>H</i>-benzo[b]carbazole","","- C24 H19 N O2 S -","- C24 H19 N O2 S -","- C192 H152 N8 O16 S8 -","8","1","BT2759","Chakkaravarthi, G.; Dhayalan, V.; Mohanakrishnan, A. K.; Manivannan, V.","7,9-Dimethyl-5-phenylsulfonyl-5<i>H</i>-benzo[<i>b</i>]carbazole","Acta Crystallographica Section E","2008","64","9","o1667","o1668","10.1107/S1600536808024380","","","0.71073","MoKα","","0.0896","0.0508","","","0.1296","0.1565","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219286","12.342","0.002","7.854","0.002","27.889","0.003","90","","90","","90","","2703.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxybenzylidene)-4-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CI2639","Bao, Xia; Wei, Yi-Jun","<i>N</i>'-(4-Hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2008","64","9","o1682","","10.1107/S160053680802360X","","","0.71073","MoKα","","0.0741","0.049","","","0.1191","0.1346","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219297","26.251","0.003","12.376","0.003","7.786","0.002","90","","90","","90","","2529.5","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C112 H88 Cl8 N16 O16 -","8","1","CI2657","Yang, De-Suo","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","9","o1849","","10.1107/S1600536808027013","","","0.71073","MoKα","","0.0844","0.0469","","","0.0979","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219301","11.4341","0.0005","9.1939","0.0004","30.987","0.0013","90","","90","","90","","3257.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Ethyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}-1,2,4- triazolo[3,4-b][1,3,4]thiadiazole","","","- C17 H22 N4 S -","- C17 H22 N4 S -","- C136 H176 N32 S8 -","8","1","CI2662","Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V.; Patil, P. S.; Kalluraya, B.","3-Ethyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2008","64","9","o1838","o1839","10.1107/S1600536808027086","","","0.71073","MoKα","","0.0852","0.055","","","0.123","0.1349","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219336","9.833","0.005","8.797","0.004","27.587","0.014","90","","90","","90","","2386","2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetraethyl 2,2'-(2,3,5,6-tetrafluoro-<i>p</i>-phenylenedimethylene)dipropanoate","","- C22 H26 F4 O8 -","- C22 H26 F4 O8 -","- C88 H104 F16 O32 -","4","0.5","GW2045","Xi, Haitao; Gao, Yajun; Sun, Xiaoqiang; Meng, Qi; Jiang, Yan","Tetraethyl 2,2'-(2,3,5,6-tetrafluoro-<i>p</i>-phenylenedimethylene)dipropanoate","Acta Crystallographica Section E","2008","64","9","o1853","","10.1107/S1600536808027207","","","0.71073","MoKα","","0.1032","0.0549","","","0.0899","0.097","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219399","12.1141","0.0004","7.4449","0.0003","27.246","0.001","90","","90","","90","","2457.27","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E,E)-1,5-Di-2-thienylpenta-1,4-dien-3-one","","- C13 H10 O S2 -","- C13 H10 O S2 -","- C104 H80 O8 S16 -","8","1","LX2066","Murugavel, S.; Ganesh, G.; SubbiahPandi, A.; Murugan, Ramalingam; SrimanNarayanan, S.","(<i>E</i>,<i>E</i>)-1,5-Di-2-thienylpenta-1,4-dien-3-one","Acta Crystallographica Section E","2008","64","9","o1807","","10.1107/S1600536808026603","","","0.71073","MoKα","","0.076","0.0571","","","0.1805","0.2105","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219406","12.0003","0.0017","7.7862","0.0011","25.863","0.004","90","","90","","90","","2416.6","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Naphthalene-2,3-diol‒imidazole (1/1)","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","NG2483","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu","Naphthalene-2,3-diol‒imidazole (1/1)","Acta Crystallographica Section E","2008","64","9","o1754","","10.1107/S1600536808025555","","","0.71073","MoKα","","0.0549","0.0409","","","0.1128","0.1246","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219420","18.6013","0.0011","11.9677","0.0007","19.3335","0.0011","90","","90","","90","","4303.9","0.4","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Tetraiodidobis(tri-<i>p</i>-tolylphosphine oxide-κ<i>O</i>)tin(IV)","","- C42 H42 I4 O2 P2 Sn -","- C42 H42 I4 O2 P2 Sn -","- C168 H168 I16 O8 P8 Sn4 -","4","0.5","PV2089","Hitosugi-Levesque, Marina; Tanski, Joseph M.","<i>trans</i>-Tetraiodidobis(tri-<i>p</i>-tolylphosphine oxide-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2008","64","9","m1107","","10.1107/S1600536808023945","","","0.71073","MoKα","","0.0223","0.0188","","","0.0467","0.0483","","","","","","1.068","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219424","12.3124","0.0014","10.2316","0.0011","25.914","0.003","90","","90","","90","","3264.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Ferrocenyl-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H18 Fe O2 -","- C20 H18 Fe O2 -","- C160 H144 Fe8 O16 -","8","1","PV2096","Long, Shi-Jia; Liu, Xiao-Lan; Liu, Yong-Hong","(<i>E</i>)-1-Ferrocenyl-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","9","m1164","","10.1107/S1600536808025518","","","0.71073","MoKα","","0.0529","0.0322","","","0.0785","0.0894","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219440","15.344","0.002","7.7731","0.0008","21.693","0.002","90","","90","","90","","2587.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Ethylphenyl)phthalimide","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","TK2280","Fan, Yen May; Zakaria, Norzalida; Ariffin, Azhar; Ng, Seik Weng","<i>N</i>-(2-Ethylphenyl)phthalimide","Acta Crystallographica Section E","2008","64","9","o1699","","10.1107/S1600536808020448","","","0.71073","MoKα","","0.063","0.042","","","0.094","0.104","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219462","15.5489","0.0009","16.7821","0.0009","20.561","0.001","90","","90","","90","","5365.3","0.5","168.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,2-Bipyridyl)bis(η^5^-pentamethylcyclopentadienyl)strontium(II)","","- C30 H38 N2 Sr -","- C30 H38 N2 Sr -","- C240 H304 N16 Sr8 -","8","1","WW2113","Kazhdan, Daniel; Hu, Yung-Jin; Kokai, Akos; Levi, Zerubba; Rozenel, Sergio","(2,2-Bipyridyl)bis(η^5^-pentamethylcyclopentadienyl)strontium(II)","Acta Crystallographica Section E","2008","64","9","m1134","","10.1107/S1600536808024677","","","0.7107","MoKα","","0.0676","0.0337","","0.0439","","0.0385","","","","","","1.566","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219497","13.557","0.0009","14.5615","0.0014","14.9585","0.0019","90","","90","","90","","2953","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diiodidobis(1-methylimidazole-κN^3^)cadmium(II)","","- C8 H12 Cd I2 N4 -","- C8 H12 Cd I2 N4 -","- C64 H96 Cd8 I16 N32 -","8","1","BQ2097","Zhao, Juan","Diiodidobis(1-methylimidazole-κ<i>N</i>^3^)cadmium(II)","Acta Crystallographica Section E","2008","64","10","m1320","","10.1107/S1600536808030225","","","0.71073","MoKα","","0.102","0.0629","","","0.156","0.1776","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219515","18.745","0.005","6.6054","0.0014","29.23","0.008","90","","90","","90","","3619.2","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-{[2-(4-Chlorophenoxy)-1-oxidoethylidene-κO^1^]hydrazonomethyl}phenolato- κ^2^N^1^,O)(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","","- C18 H15 Cl N4 Ni O3 -","- C18 H15 Cl N4 Ni O3 -","- C144 H120 Cl8 N32 Ni8 O24 -","8","1","BV2105","Chen, Xiao-Hua","(2-{[2-(4-Chlorophenoxy)-1-oxidoethylidene-κ<i>O</i>^1^]hydrazonomethyl}phenolato-κ^2^<i>N</i>^1^,<i>O</i>)(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2008","64","10","m1253","","10.1107/S1600536808028171","","","0.71073","MoKα","","0.0511","0.0347","","","0.0818","0.0871","","","","","","0.96","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219548","13.844","0.003","12.942","0.002","16.645","0.003","90","","90","","90","","2982.3","1","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Aminophenylsulfonyl)-<i>N</i>-(2-nitrophenylsulfonyl)methylamine","","- C13 H13 N3 O6 S2 -","- C13 H13 N3 O6 S2 -","- C104 H104 N24 O48 S16 -","8","1","CV2436","Li, Xu-Yun; Song, Zu-Wei","<i>N</i>-(2-Aminophenylsulfonyl)-<i>N</i>-(2-nitrophenylsulfonyl)methylamine","Acta Crystallographica Section E","2008","64","10","o1906","","10.1107/S1600536808028092","","","0.71073","MoKα","","0.0335","0.0315","","","0.0855","0.0866","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219557","9.682","0.0019","13.224","0.003","26.983","0.005","90","","90","","90","","3454.8","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(1-methylimidazole-κN^3^)zinc(II)]-μ-isophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C16 H16 N4 O4 Zn -","- C16 H16 N4 O4 Zn -","- C128 H128 N32 O32 Zn8 -","8","1","CV2451","Zhao, Juan","<i>catena</i>-Poly[[bis(1-methylimidazole-κ<i>N</i>^3^)zinc(II)]-μ-isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2008","64","10","m1335","","10.1107/S160053680803078X","","","0.71073","MoKα","","0.1028","0.068","","","0.1838","0.2071","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219560","9.082","0.0012","13.733","0.0017","24.568","0.003","90","","90","","90","","3064.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>tert</i>-butyl 2-(4-amino-9<i>H</i>-fluoren-9-ylidene)acetate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","DN2370","Krokidis, Marios; Papaioannou, Dionissios; Nastopoulos, Vassilios","(<i>Z</i>)-<i>tert</i>-Butyl 2-(4-amino-9<i>H</i>-fluoren-9-ylidene)acetate","Acta Crystallographica Section E","2008","64","10","o1978","","10.1107/S1600536808029735","","","0.71073","MoKα","","0.1113","0.0626","","","0.129","0.143","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219582","14.405","0.002","9.661","0.001","17.905","0.002","90","","90","","90","","2491.8","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","GK2164","Peng, San-Jun; Hou, Hai-Yun","3-Hydroxy-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","10","o1864","","10.1107/S1600536808027426","","","0.71073","MoKα","","0.066","0.0427","","","0.1037","0.1185","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219602","6.877","0.002","8.996","0.003","15.171","0.004","90","","90","","90","","938.6","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Bis(2-furylmethylene)hydrazine","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","0.5","HB2802","Ma, Qi; Lu, Li-Ping; Zhu, Miao-Li","1,2-Bis(2-furylmethylene)hydrazine","Acta Crystallographica Section E","2008","64","10","o2026","","10.1107/S1600536808030729","","","0.71073","MoKα","","0.0469","0.0386","","","0.1016","0.1052","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219615","15.0325","0.0008","15.0654","0.0008","14.0579","0.001","90","","90","","90","","3183.7","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5,5'-Dimethyl-2,2'-bipyridine-κ^2^N,N')diiodidomercury(II)","","- C12 H12 Hg I2 N2 -","- C12 H12 Hg I2 N2 -","- C96 H96 Hg8 I16 N16 -","8","1","HK2531","Tadayon Pour, Nasim; Ebadi, Amin; Abedi, Anita; Amani, Vahid; Khavasi, Hamid Reza","(5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","Acta Crystallographica Section E","2008","64","10","m1305","","10.1107/S160053680802953X","","","0.71073","MoKα","","0.0718","0.0552","","","0.1174","0.124","","","","","","1.194","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219619","7.7504","0.0005","14.5638","0.0009","21.0615","0.0014","90","","90","","90","","2377.3","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 3-hydroxy-4-oxo-3,4-dihydro-2<i>H</i>-1,2-benzothiazine-3- carboxylate 1,1-dioxide monohydrate","","- C10 H11 N O7 S -","- C10 H11 N O7 S -","- C80 H88 N8 O56 S8 -","8","1","HK2537","Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Siddiqui, Waseeq Ahmad","Methyl 3-hydroxy-4-oxo-3,4-dihydro-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate","Acta Crystallographica Section E","2008","64","10","o2045","","10.1107/S1600536808030948","","","0.71073","MoKα","","0.0911","0.0474","","","0.1026","0.1221","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219665","12.6766","0.0013","11.7603","0.0013","24.164","0.003","90","","90","","90","","3602.4","0.7","116","2","116","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{3-Cyano-5,5-dimethyl-4-[6-(pyrrolidin-1-yl)hexa-1,3,5-trienyl]-2,5-dihydro- 2-furylidene}malononitrile","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C160 H160 N32 O8 -","8","1","NG2475","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-{3-Cyano-5,5-dimethyl-4-[6-(pyrrolidin-1-yl)hexa-1,3,5-trienyl]-2,5-dihydro-2-furylidene}malononitrile","Acta Crystallographica Section E","2008","64","10","o2036","o2037","10.1107/S1600536808028110","","","0.71073","MoKα","","0.1078","0.0476","","","0.1058","0.1294","","","","","","0.977","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219671","11.2581","0.001","8.1055","0.0007","29.857","0.003","90","","90","","90","","2724.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-4-<i>m</i>-tolylcyclohex-3-enecarboxylic acid","","- C16 H20 O2 -","- C16 H20 O2 -","- C128 H160 O16 -","8","1","OM2254","Xie, Songwen; Stein, Holly J.; Pink, Maren","2,6-Dimethyl-4-<i>m</i>-tolylcyclohex-3-enecarboxylic acid","Acta Crystallographica Section E","2008","64","10","o1869","","10.1107/S1600536808027542","","","0.71073","MoKα","","0.0714","0.0485","","","0.1234","0.1361","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219691","6.6506","0.0007","14.7051","0.0016","25.967","0.003","90","","90","","90","","2539.5","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aqua[μ~3~-N'-(carboxymethyl)ethylenediamine-N,N,N'-triacetato] samarium(III)]","","- C10 H15 N2 O9 Sm -","- C10 H15 N2 O9 Sm -","- C80 H120 N16 O72 Sm8 -","8","1","RZ2243","Zhou, Guo-Yong; Wu, Gui-Rong; Deng, Zhi-Yong; Chen, Xing-Tian","Poly[aqua[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]samarium(III)]","Acta Crystallographica Section E","2008","64","10","m1348","","10.1107/S1600536808031036","","","0.71073","MoKα","","0.034","0.0276","","","0.0608","0.064","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219709","12.181","0.002","12.452","0.003","23.856","0.005","90","","90","","90","","3618.4","1.3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Hydroxyethyl-4-methylmorpholinium chloride","","- C7 H16 Cl N O2 -","- C7 H16 Cl N O2 -","- C112 H256 Cl16 N16 O32 -","16","2","SI2107","Mei-Ling, Wang; Hong-Jun, Zang; Bo-Wen, Cheng; Song, Jun","4-Hydroxyethyl-4-methylmorpholinium chloride","Acta Crystallographica Section E","2008","64","10","o2029","","10.1107/S1600536808030195","","","0.71073","MoKα","","0.0336","0.0301","","","0.0736","0.0756","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219721","13.113","0.003","9.189","0.002","22.11","0.004","90","","90","","90","","2664.2","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","SU2061","Zhan, Xue-Hui","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2008","64","10","o1999","","10.1107/S1600536808029334","","","0.71073","MoKα","","0.1111","0.0552","","","0.114","0.1356","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219724","7.0278","0.0001","9.7105","0.0001","29.297","0.0004","90","","90","","90","","1999.33","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dibromo-3-phenylpropionic acid","","- C9 H8 Br2 O2 -","- C9 H8 Br2 O2 -","- C72 H64 Br16 O16 -","8","1","TK2304","Thong, Pui Yee; Lo, Kong Mun; Ng, Seik Weng","2,3-Dibromo-3-phenylpropionic acid","Acta Crystallographica Section E","2008","64","10","o1946","","10.1107/S160053680802919X","","","0.71073","MoKα","","0.03","0.025","","","0.063","0.066","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219735","8.8404","0.0002","15.6719","0.0005","29.1488","0.001","90","","90","","90","","4038.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>trans</i>-<i>rac</i>-Methyl 2-hexyl-1-oxo-3-(2-pyridyl)-1,2,3,4-tetrahydro- isoquinoline-4-carboxylate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","WN2280","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Kandinska, Meglena I.; Bogdanov, Milen G.; Büyükgüngör, Orhan","Methyl <i>trans</i>-<i>rac</i>-2-hexyl-1-oxo-3-(2-pyridyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate","Acta Crystallographica Section E","2008","64","10","o1932","","10.1107/S1600536808029048","","","0.71073","MoKα","","0.1185","0.0887","","","0.2518","0.2791","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219763","7.5783","0.0011","8.0295","0.0012","20.972","0.003","90","","90","","90","","1276.1","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Bis(prop-2-ynyloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","0.5","BG2213","Yao, Li; Tao, Ruo-Jie","2,6-Bis(prop-2-ynyloxy)naphthalene","Acta Crystallographica Section E","2008","64","11","o2081","","10.1107/S1600536808031772","","","0.71073","MoKα","","0.056","0.0388","","","0.0914","0.0989","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219795","11.434","0.0004","12.253","0.0005","15.3806","0.0006","90","","90","","90","","2154.83","0.14","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ-4,4'-bipyridine-κ^2^N:N'-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>- copper(I)]","","- C11 H8 Cu N3 S -","- C11 H8 Cu N3 S -","- C88 H64 Cu8 N24 S8 -","8","1","BT2809","Wriedt, Mario; Sellmer, Sina; Näther, Christian","Poly[μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-copper(I)]","Acta Crystallographica Section E","2008","64","11","m1424","m1425","10.1107/S1600536808033175","","","0.71073","MoKα","","0.0573","0.0465","","","0.0863","0.0897","","","","","","1.243","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219797","13.606","0.003","7.5674","0.0015","24.578","0.005","90","","90","","90","","2530.6","0.9","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-2-one","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","1","BT2811","Li, Gong-Chun; Yang, Feng-Ling; Yao, Chang-Sheng","4-Phenyl-1,2,3,4-tetrahydropyrimido[1,2-<i>a</i>]benzimidazol-2-one","Acta Crystallographica Section E","2008","64","11","o2143","","10.1107/S1600536808033497","","","0.71073","MoKα","","0.0426","0.0366","","","0.0976","0.1122","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219811","12.102","0.0011","8.1727","0.0007","25.476","0.002","90","","90","","90","","2519.7","0.4","123","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-Ethyl N'-[1-(4-methoxyphenyl)ethylidene]hydrazinecarboxylate","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","CI2686","Lv, Lu-Ping; Xie, Jian-Wu; Yu, Wen-Bo; Mao, Yu-Hui; Hu, Xian-Chao","(<i>E</i>)-Ethyl <i>N</i>'-[1-(4-methoxyphenyl)ethylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","11","o2062","","10.1107/S1600536808031462","","","0.71073","MoKα","","0.0498","0.0403","","","0.1192","0.1269","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219832","10.3142","0.0007","16.865","0.001","34.984","0.002","90","","90","","90","","6085.4","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>rac</i>-Carbonyl{1- [(diphenylphosphino)methyl]ethanethiolato}(triphenylphosphine)rhodium(I)","","- C34 H31 O P2 Rh S -","- C34 H31 O P2 Rh S -","- C272 H248 O8 P16 Rh8 S8 -","8","1","DN2386","Hernández-Ortega, Simón; Morales-Morales, David","<i>rac</i>-Carbonyl{1-[(diphenylphosphino)methyl]ethanethiolato}(triphenylphosphine)rhodium(I)","Acta Crystallographica Section E","2008","64","11","m1465","","10.1107/S1600536808034284","","","0.71073","MoKα","","0.0739","0.0491","","","0.0993","0.1081","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219898","27.449","0.005","10.821","0.006","8.83","0.001","90","","90","","90","","2622.7","1.6","289","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzylpyridinium hydrogen selenate","","- C12 H13 N O4 Se -","- C12 H13 N O4 Se -","- C96 H104 N8 O32 Se8 -","8","1","IM2065","Maalej, Wassim; Elaoud, Zakaria; Mhiri, Tahar; Daoud, Abdelaziz; Driss, Ahmed","4-Benzylpyridinium hydrogen selenate","Acta Crystallographica Section E","2008","64","11","o2172","","10.1107/S1600536808033801","","","0.71073","MoKα","","","0.0374","","","","0.0868","","","","","","0.984","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219903","10.04","0.002","7.4774","0.0015","21.016","0.004","90","","90","","90","","1577.7","0.5","293","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","dicumyl peroxide","Bis(1-methyl-1-phenylethyl) peroxide","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","0.5","IS2340","Su, Wei-Yi; Hou, Guang-Yang; Yin, Qiu-Xiang; Zhou, Li-Na","Bis(1-methyl-1-phenylethyl) peroxide","Acta Crystallographica Section E","2008","64","11","o2128","","10.1107/S1600536808033412","","","0.71073","MoKα","","0.052","0.0433","","","0.1048","0.1096","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219914","8.4422","0.0007","15.6384","0.0013","22.2195","0.0018","90","","90","","90","","2933.5","0.4","150","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-acetato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C32 H28 Cd2 N4 O8 -","- C32 H28 Cd2 N4 O8 -","- C128 H112 Cd8 N16 O32 -","4","0.5","KJ2097","Harvey, Miguel Angel; Baggio, Sergio; Garland, María Teresa; Baggio, Ricardo","Di-μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section E","2008","64","11","m1450","","10.1107/S1600536808029462","","","0.71073","MoKα","","0.0263","0.024","","","0.0623","0.064","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219987","13.244","0.003","8.4865","0.0017","17.518","0.004","90","","90","","90","","1968.9","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","SG2268","Liu, Bing; Xu, Weiren; Zhao, Guilong; Wang, Runling; Tang, Lida","1-(4-Methoxyphenyl)-3-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2008","64","11","o2099","","10.1107/S1600536808031784","","","0.71073","MoKα","","0.0519","0.0447","","","0.1098","0.1154","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220048","13.743","0.003","12.526","0.003","16.384","0.003","90","","90","","90","","2820.4","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methoxy-4-(4-nitrobenzyloxy)benzaldehyde","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C120 H104 N8 O40 -","8","1","AT2666","Li, Mei; Chen, Xin","3-Methoxy-4-(4-nitrobenzyloxy)benzaldehyde","Acta Crystallographica Section E","2008","64","12","o2291","","10.1107/S1600536808036015","","","0.71073","MoKα","","0.098","0.0439","","","0.1018","0.1319","","","","","","0.993","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220054","14.407","0.003","7.3365","0.0016","21.107","0.005","90","","90","","90","","2230.9","0.9","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1-(4-Hydroxyphenyl)-1H-tetrazol-5-ylsulfanyl]acetic acid","","- C9 H8 N4 O3 S -","- C9 H8 N4 O3 S -","- C72 H64 N32 O24 S8 -","8","1","AT2673","Zhan, Cai-Hong; Zhang, Shu-Guang; Feng, Yun-Long","[1-(4-Hydroxyphenyl)-1<i>H</i>-tetrazol-5-ylsulfanyl]acetic acid","Acta Crystallographica Section E","2008","64","12","o2451","","10.1107/S1600536808037136","","","0.71073","MoKα","","0.0748","0.0474","","","0.092","0.106","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220102","8.2921","0.0012","9.0457","0.0014","33.07","0.005","90","","90","","90","","2480.5","0.6","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-bis(prop-2-ynyloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","BV2111","Yang, Guo-Zhong; Li, Fu-An","2,3-Bis(prop-2-ynyloxy)naphthalene","Acta Crystallographica Section E","2008","64","12","o2383","","10.1107/S1600536808037549","","","0.71073","MoKα","","0.0508","0.0391","","","0.0955","0.1013","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220109","11.0713","0.0001","13.0603","0.0002","15.7808","0.0002","90","","90","","90","","2281.82","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-dimethoxybenzaldehyde thiosemicarbazone","2,5-Dimethoxybenzaldehyde thiosemicarbazone","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C80 H104 N24 O16 S8 -","8","1","CI2701","Fun, Hoong-Kun; Jebas, Samuel Robinson; D'Silva, E. Deepak; Patil, P. S.; Dharmaprakash, S. M.","2,5-Dimethoxybenzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2008","64","12","o2276","","10.1107/S1600536808035198","","","0.71073","MoKα","","0.0492","0.0371","","","0.0903","0.0966","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220142","8.7138","0.0017","6.6714","0.0013","9.3162","0.0019","90","","90","","90","","541.58","0.19","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Formamidoethyl)formamide","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","0.5","DN2396","Yang, Jin-hui; Chen, Yan-xue; Wang, Shao-hui; Wang, Jian-lei","<i>N</i>-(2-Formamidoethyl)formamide","Acta Crystallographica Section E","2008","64","12","o2418","","10.1107/S1600536808038488","","","0.71073","MoKα","","0.0292","0.0272","","","0.0718","0.0726","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220145","9.95","0.002","7.9205","0.0017","31.046","0.006","90","","90","","90","","2446.7","0.9","173","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Ferrocenylphenol","","- C16 H14 Fe O -","- C16 H14 Fe O -","- C128 H112 Fe8 O8 -","8","1","DN2401","Nyamori, Vincent O.; Bala, Muhammad D.","4-Ferrocenylphenol","Acta Crystallographica Section E","2008","64","12","m1630","","10.1107/S1600536808039524","","","0.71073","MoKα","","","0.0333","","","","0.0842","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220150","7.876","0.0016","16.098","0.003","33.986","0.007","90","","90","","90","","4309","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Bis(9H-carbazol-9-yl)thiophene","","- C28 H18 N2 S -","- C28 H18 N2 S -","- C224 H144 N16 S8 -","8","1","DN2409","Jiang, Xu-Liang; Huang, Er-Fang; Rao, Guo-Wu","2,5-Bis(9<i>H</i>-carbazol-9-yl)thiophene","Acta Crystallographica Section E","2008","64","12","o2502","","10.1107/S1600536808039767","","","0.71073","MoKα","","0.0834","0.0631","","","0.1409","0.1519","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220151","6.979","0.0001","13.469","0.002","29.448","0.008","90","","90","","90","","2768.1","0.9","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>'-[nitro(phenyl)methylene]hydrazine","","- C13 H9 N5 O6 -","- C13 H9 N5 O6 -","- C104 H72 N40 O48 -","8","1","EZ2141","Yuan, Chunlan","<i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>'-[nitro(phenyl)methylene]hydrazine","Acta Crystallographica Section E","2008","64","12","o2297","","10.1107/S1600536808036179","","","0.71073","MoKα","","0.0885","0.0391","","","0.0542","0.0592","","","","","","0.983","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220201","12.155","0.001","11.238","0.001","35.421","0.003","90","","90","","90","","4838.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chloroanilino)quinoxaline","","- C14 H10 Cl N3 -","- C14 H10 Cl N3 -","- C224 H160 Cl16 N48 -","16","2","HB2854","Idris, Azila; Wan Saffiee, Wan Ainna Mardhiah; Abdullah, Zanariah; Ariffin, Azahar; Ng, Seik Weng","2-(4-Chloroanilino)quinoxaline","Acta Crystallographica Section E","2008","64","12","o2443","","10.1107/S1600536808038610","","","0.71073","MoKα","","0.0816","0.0584","","","0.123","0.1346","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220209","21.295","0.004","9.7177","0.0019","24.44","0.005","90","","90","","90","","5057.6","1.7","293","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[diiodidomercury(II)]-μ-<i>N</i>,<i>N</i>'-di-3-\ pyridylpyridine-2,6-dicarboxamide] dimethylformamide solvate]","","- C20 H20 Hg I2 N6 O3 -","- C20 H20 Hg I2 N6 O3 -","- C160 H160 Hg8 I16 N48 O24 -","8","1","HG2428","Huang, Li-Hua; Wu, Jie; Pan, Fang-Fang","<i>catena</i>-Poly[[[diiodidomercury(II)]-μ-<i>N</i>,<i>N</i>'-di-3-pyridylpyridine-2,6-dicarboxamide] dimethylformamide solvate]","Acta Crystallographica Section E","2008","64","12","m1533","","10.1107/S1600536808036581","","","0.71073","MoKα","","0.0661","0.0622","","","0.1173","0.1192","","","","","","1.311","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220210","10.0839","0.0003","7.6849","0.0002","28.1176","0.0008","90","","90","","90","","2178.94","0.11","123","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-nitrostilbene","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","HG2430","Moreno-Fuquen, Rodolfo; Aguirre, Lina; Kennedy, Alan R.","Redetermination of 4-nitrostilbene","Acta Crystallographica Section E","2008","64","12","o2259","","10.1107/S1600536808035459","","","0.71073","MoKα","","0.07","0.048","","","0.127","0.135","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220228","15.449","0.003","7.829","0.0016","16.755","0.003","90","","90","","90","","2026.5","0.7","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Methyl-1-naphthyl)ethanone","","- C13 H12 O -","- C13 H12 O -","- C104 H96 O8 -","8","1","HK2564","Hu, Yong-Hong; Zhao, Xiao-Lei; Yang, Wen-Ge; Yao, Jin-Feng; Lu, Xiu-Tao","1-(4-Methyl-1-naphthyl)ethanone","Acta Crystallographica Section E","2008","64","12","o2307","","10.1107/S1600536808035812","","","0.71073","MoKα","","0.132","0.0586","","","0.1187","0.1549","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220300","9.0287","0.0009","12.0767","0.0012","30.866","0.003","90","","90","","90","","3365.5","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(5,5-Dimethylhexahydropyrimidin-2-yl)-4-(phenyldiazenyl)phenol","","- C18 H22 N4 O -","- C18 H22 N4 O -","- C144 H176 N32 O8 -","8","1","NG2518","Sheikhshoaie, Iran; Monadi, Niaz; Abbasi, Alireza","(<i>E</i>)-2-(5,5-Dimethylhexahydropyrimidin-2-yl)-4-(phenyldiazenyl)phenol","Acta Crystallographica Section E","2008","64","12","o2453","","10.1107/S1600536808038877","","","0.71073","MoKα","","0.1031","0.0495","","","0.1013","0.1137","","","","","","0.809","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220308","7.7769","0.0002","19.4256","0.0005","22.3875","0.0006","90","","90","","90","","3382.1","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Acetyl-3,3-diethyl-5-hydroxy-2-morpholino-2,3-dihydro-1-benzofuran","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C144 H200 N8 O32 -","8","1","PV2104","Vega, Andrés; Ramírez-Rodríguez, Oney; Martínez-Cifuentes, Maximiliano; Ibañez, Andrés; Araya-Maturana, Ramiro","4-Acetyl-3,3-diethyl-5-hydroxy-2-morpholino-2,3-dihydro-1-benzofuran","Acta Crystallographica Section E","2008","64","12","o2329","","10.1107/S1600536808034065","","","0.71073","MoKα","","0.0442","0.0366","","","0.0928","0.0991","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220323","10.74","0.0011","9.6717","0.0009","28.215","0.003","90","","90","","90","","2930.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-Butyl N-(5-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-ylmethyl)carbamate","","- C12 H15 Br N4 O2 -","- C12 H15 Br N4 O2 -","- C96 H120 Br8 N32 O16 -","8","1","RZ2259","Yin, Ling; Jia, Jiong; Zhao, Gui-Long; Wang, Jian-Wu","<i>tert</i>-Butyl <i>N</i>-(5-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-ylmethyl)carbamate","Acta Crystallographica Section E","2008","64","12","o2262","","10.1107/S1600536808035393","","","0.71073","MoKα","","0.0691","0.0382","","","0.0895","0.1022","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220339","14.055","0.004","21.214","0.011","11.873","0.003","90","","90","","90","","3540","2","298.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","","- C18 H20 Cl2 N2 O2 -","- C18 H20 Cl2 N2 O2 -","- C144 H160 Cl16 N16 O16 -","8","1","SI2120","Kubono, Koji; Tsuno, Yuki; Tani, Keita; Yokoi, Kunihiko","4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section E","2008","64","12","o2309","","10.1107/S1600536808035769","","","0.71069","MoKα","","","0.0389","","","","0.1046","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220349","16.755","0.003","10.552","0.002","18.497","0.004","90","","90","","90","","3270.2","1.1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-1<i>H</i>-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenylbutan-2-ide","","- C17 H14 F3 N3 O2 -","- C17 H14 F3 N3 O2 -","- C136 H112 F24 N24 O16 -","8","1","SJ2549","Li, Gong-Chun; Yang, Feng-Ling; Yao, Chang-Sheng","2-Amino-1<i>H</i>-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenylbutan-2-ide","Acta Crystallographica Section E","2008","64","12","o2460","","10.1107/S1600536808037483","","","0.71073","MoKα","","0.044","0.0391","","","0.1028","0.1074","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220351","17.803","0.0003","8.68121","0.0001","18.8683","0.0003","90","","90","","90","","2916.13","0.08","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(4-chlorobenzoyl)-2-hydroxy-7-methoxynaphthalene","(4-Chlorophenyl)(2-hydroxy-7-methoxynaphthalen-1-yl)methanone","","- C18 H13 Cl O3 -","- C18 H13 Cl O3 -","- C144 H104 Cl8 O24 -","8","1","SU2069","Mitsui, Ryosuke; Nakaema, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki","(4-Chlorophenyl)(2-hydroxy-7-methoxynaphthalen-1-yl)methanone","Acta Crystallographica Section E","2008","64","12","o2497","","10.1107/S1600536808039603","","","1.54187","CuKα","","0.037","0.0328","","","0.0932","0.0963","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220380","6.5065","0.0011","7.2634","0.0012","12.772","0.002","90","","90","","90","","603.6","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,2S)-1,2-Dihydroxy-1,2-diformamidoethane","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C16 H32 N8 O16 -","4","0.5","WM2200","Taheri, Amir; Moosavi, Sayed Mojtaba","(1<i>R</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-(1,2-Dihydroxyethylene)diformamide","Acta Crystallographica Section E","2008","64","12","o2316","","10.1107/S1600536808036209","","","0.71073","MoKα","","0.0487","0.0424","","","0.1026","0.107","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220392","15.306","0.002","8.8368","0.0013","18.543","0.003","90","","90","","90","","2508.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(4-Pyridyl)-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazole","","- C16 H13 N3 -","- C16 H13 N3 -","- C128 H104 N24 -","8","1","XU2463","Xiao, Xin; Zhang, Yun-Qiang; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","3-(4-Pyridyl)-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazole","Acta Crystallographica Section E","2008","64","12","o2449","","10.1107/S1600536808038944","","","0.71073","MoKα","","0.0536","0.0481","","","0.1253","0.1298","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220426","16.469","0.003","14.677","0.003","19.612","0.004","90","","90","","90","","4740.5","1.6","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)","","- C28 H16 F4 Ir N3 O2 -","- C28 H16 F4 Ir N3 O2 -","- C224 H128 F32 Ir8 N24 O16 -","8","1","BT2823","Xu, Mao-Liang; Che, Guang-Bo; Li, Xiu-Ying; Xiao, Qi","Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)","Acta Crystallographica Section E","2009","65","1","m28","","10.1107/S160053680804083X","","","0.71073","MoKα","","0.0484","0.0338","","","0.0617","0.0657","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220427","9.8693","0.0008","9.5732","0.0008","24.989","0.002","90","","90","","90","","2361","0.3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C96 H144 Cl8 N8 O8 -","8","1","BT2824","Bian, Yan-Jiang","<i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride","Acta Crystallographica Section E","2009","65","1","o38","","10.1107/S1600536808040506","","","0.7107","MoKα","","0.0421","0.0392","","","0.1007","0.1029","","","","","","1.137","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220448","10.9225","0.0014","14.763","0.0016","22.514","0.002","90","","90","","90","","3630.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(2,3,4-Trimethoxy-6-methylbenzylidene)naphthalen-1-amine","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","CI2730","Wang, Cheng-Yun","(<i>E</i>)-<i>N</i>-(2,3,4-Trimethoxy-6-methylbenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2009","65","1","o56","","10.1107/S160053680803910X","","","0.71073","MoKα","","0.1041","0.059","","","0.1469","0.1658","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220491","11.7919","0.0009","13.9965","0.0008","23.5117","0.0017","90","","90","","90","","3880.5","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-<i>N</i>-(4,6-dimethylpyrimidin-2- yl)benzenesulfonamide‒4-bromo-2-[(E)-({4-[(4,6-dimethylpyrimidin-2- yl)sulfamoyl]phenyl}iminio)methyl]phenolate [61(7)/39(7)]","","- C19 H17 Br N4 O3 S -","- C19 H17 Br N4 O3 S -","- C152 H136 Br8 N32 O24 S8 -","8","1","GK2160","Shad, Hazoor A.; Tahir, M. Nawaz; Chohan, Zahid H.","4-[(5-Bromo-2-hydroxybenzylidene)amino]-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-bromo-2-[(<i>E</i>)-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]phenolate [0.61(7)/0.39(7)]","Acta Crystallographica Section E","2009","65","1","o98","o99","10.1107/S1600536808041214","","","0.71073","MoKα","","0.1072","0.0483","","","0.1086","0.1312","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220492","9.939","0.006","8.803","0.005","15.366","0.009","90","","90","","90","","1344.4","1.4","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(<i>p</i>-Phenylenedimethylene)bis(propane-1,3-diol)","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","0.5","GK2172","Gao, Yajun; Xi, Haitao; Sun, Xiaoqiang; Fu, Yongsheng; Liu, Li","2,2'-(<i>p</i>-Phenylenedimethylene)bis(propane-1,3-diol)","Acta Crystallographica Section E","2009","65","1","o170","","10.1107/S1600536808041688","","","0.71073","MoKα","","0.0532","0.0381","","","0.1064","0.1149","","","","","","1.082","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220540","14.6322","0.0006","9.1014","0.0003","21.2307","0.0009","90","","90","","90","","2827.37","0.19","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>R</i>,3<i>S</i>)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3- dimethylurea)","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","1","HK2591","Maliha, Bushra; Tariq, Muhammad Ilyas; Tahir, M. Nawaz; Hussain, Ishtiaq; Siddiqui, Hamid Latif","(1<i>R</i>,3<i>S</i>)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3-dimethylurea)","Acta Crystallographica Section E","2009","65","1","o42","o43","10.1107/S1600536808040828","","","0.71073","MoKα","","0.0496","0.0376","","","0.1254","0.1504","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","189007","2020-10-21","18:00:00",""
"2220571","16.3707","0.0016","7.7928","0.0007","22.088","0.002","90","","90","","90","","2817.8","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(1<i>H</i>-Imidazol-1-ylsulfonyl)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-amine","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C120 H120 N24 O16 S8 -","8","1","LH2737","Teng, Lei; Zhang, Yong; Zhang, Shi-lei; Qu, Yuan; Xia, Xian-you","5-(1<i>H</i>-Imidazol-1-ylsulfonyl)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-amine","Acta Crystallographica Section E","2009","65","1","o55","","10.1107/S160053680804066X","","","0.71073","MoKα","","0.0486","0.0412","","","0.1048","0.1095","","","","","","1.073","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220604","10.3244","0.0012","12.5378","0.0014","12.8384","0.0015","90","","90","","90","","1661.9","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxyethyl)terephthalamide","","- C16 H24 N2 O6 -","- C16 H24 N2 O6 -","- C64 H96 N8 O24 -","4","0.5","RN2054","Wang, Zhi-Qiang; Xu, Chen; Li, Ying-Fei; Cen, Fei-Fei; Zhang, Yu-Qing","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxyethyl)terephthalamide","Acta Crystallographica Section E","2009","65","1","o166","","10.1107/S1600536808041573","","","0.71073","MoKα","","0.052","0.0418","","","0.1163","0.1259","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220631","10.24","0.002","6.237","0.0012","27.503","0.006","90","","90","","90","","1756.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-diol","","- C11 H12 O2 -","- C11 H12 O2 -","- C88 H96 O16 -","8","1","SJ2556","Xu, Jian; Xu, Hao; Quan, Ji-cai; Sha, Fei; Yao, Cheng","1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-diol","Acta Crystallographica Section E","2009","65","1","o79","","10.1107/S1600536808041068","","","0.71073","MoKα","","0.1026","0.0625","","","0.1404","0.1679","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220648","12.2081","0.0009","11.372","0.0009","35.097","0.003","90","","90","","90","","4872.5","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Quinoxalin-2-yl)-4-toluidine","","- C15 H13 N3 -","- C15 H13 N3 -","- C240 H208 N48 -","16","2","TK2339","Wan Saffiee, Wan Ainna Mardhiah; Idris, Azila; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng","<i>N</i>-(Quinoxalin-2-yl)-4-toluidine","Acta Crystallographica Section E","2009","65","1","o93","","10.1107/S1600536808041160","","","0.71073","MoKα","","0.0657","0.0414","","","0.0935","0.1118","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220692","10.6928","0.0012","16.7647","0.0017","19.865","0.002","90","","90","","90","","3561","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Diphenylcarbamothioyl)-3-methylbenzamide","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","AT2712","Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>N</i>-(Diphenylcarbamothioyl)-3-methylbenzamide","Acta Crystallographica Section E","2009","65","2","o378","o379","10.1107/S1600536809002554","","","0.71073","MoKα","","0.0767","0.0471","","","0.0927","0.1012","","","","","","0.947","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220696","14.809","0.004","11.892","0.003","19.494","0.005","90","","90","","90","","3433.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 3-(4-methylbenzenesulfonamido)thieno[2,3-<i>b</i>]pyridine-2-carboxylate","","- C17 H16 N2 O4 S2 -","- C17 H16 N2 O4 S2 -","- C136 H128 N16 O32 S16 -","8","1","BG2232","Zhang, Wen-qin; Zheng, Ren-lin; Song, Hang; Yang, Sheng-Yong; Yu, Luo-Ting","Ethyl 3-(4-methylbenzenesulfonamido)thieno[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section E","2009","65","2","o257","","10.1107/S1600536809000269","","","0.71073","MoKα","","0.0954","0.0546","","","0.1553","0.1858","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220713","19.1004","0.0011","12.0462","0.0007","26.9627","0.0018","90","","90","","90","","6203.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis[diphenylglyoximato(1-)-κ^2^<i>N</i>,<i>N</i>'](1<i>H</i>- imidazole-κ<i>N</i>^3^)cobalt(III) hemihydrate","","- C31 H27 Cl Co N6 O4.5 -","- C31 H27 Cl Co N6 O4.5 -","- C248 H216 Cl8 Co8 N48 O36 -","8","1","BT2831","Meera, P.; Revathi, C.; Dayalan, A.","Chloridobis[diphenylglyoximato(1‒)-κ^2^<i>N</i>,<i>N</i>'](1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) hemihydrate","Acta Crystallographica Section E","2009","65","2","m140","m141","10.1107/S160053680804347X","","","0.71073","MoKα","","0.0695","0.0397","","","0.0887","0.1037","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220734","14.19","0.001","5.637","0.0005","28.139","0.003","90","","90","","90","","2250.8","0.4","299","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Methyl <i>N</i>-(4-chlorophenyl)succinamate","Methyl 3-[(4-chlorophenyl)aminocarbonyl]propionate","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C88 H96 Cl8 N8 O24 -","8","1","BX2194","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Terao, Hiromitsu; Fuess, Hartmut","Methyl <i>N</i>-(4-chlorophenyl)succinamate","Acta Crystallographica Section E","2009","65","2","o388","","10.1107/S1600536809002724","","","0.71073","MoKα","","0.0778","0.0499","","","0.1224","0.1536","","","","","","1.19","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220776","14.8481","0.0019","12.4079","0.0016","17.379","0.002","90","","90","","90","","3201.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(IV) monohydrate","","- C12 H10 Cl4 N2 O Pt -","- C12 H10 Cl4 N2 O Pt -","- C96 H80 Cl32 N16 O8 Pt8 -","8","1","FJ2191","Kim, Nam-Ho; Hwang, In-Chul; Ha, Kwang","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(IV) monohydrate","Acta Crystallographica Section E","2009","65","2","m230","","10.1107/S1600536809002694","","","0.71073","MoKα","","0.0742","0.0463","","","0.1239","0.1414","","","","","","1.019","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2220789","7.1757","0.0003","6.2769","0.0002","16.5573","0.0007","90","","90","","90","","745.76","0.05","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-dimethoxybenzene","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","0.5","HB2878","Iuliucci, Robbie; Hoop, Cody L.; Arif, Atta M.; Harper, James K.; Pugmire, Ronald J.; Grant, David M.","Redetermination of 1,4-dimethoxybenzene","Acta Crystallographica Section E","2009","65","2","o251","","10.1107/S1600536808044231","","","0.71073","MoKα","","0.0441","0.0371","","","0.0953","0.1009","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220795","18.6976","0.0003","15.3045","0.0002","19.7287","0.0003","90","","90","","90","","5645.51","0.14","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyltributylammonium 4,6-dihydroxynaphthalene-2-sulfonate","","- C29 H41 N O5 S -","- C29 H41 N O5 S -","- C232 H328 N8 O40 S8 -","8","1","HB2891","Uta, Kazuya; Mizuguchi, Jin","Benzyltributylammonium 4,6-dihydroxynaphthalene-2-sulfonate","Acta Crystallographica Section E","2009","65","2","o322","","10.1107/S1600536809000415","","","1.54187","CuKα","","","0.1962","","","","0.5472","","","","","","1.492","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220840","7.119","0.002","15.515","0.003","33.585","0.007","90","","90","","90","","3709.5","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-2,2-diphenylethyl)(methyl)amino]-<i>N</i>,<i>N</i>-\ dimethylethanaminium bromide","","- C19 H27 Br N2 O -","- C19 H27 Br N2 O -","- C152 H216 Br8 N16 O8 -","8","1","IM2095","Gessner, Viktoria H.; Däschlein, Christian; Strohmann, Carsten","2-[(2-Hydroxy-2,2-diphenylethyl)(methyl)amino]-<i>N</i>,<i>N</i>-dimethylethanaminium bromide","Acta Crystallographica Section E","2009","65","2","o383","","10.1107/S1600536809002414","","","0.71073","MoKα","","0.0445","0.0369","","","0.0833","0.0986","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220843","9.2419","0.0018","10.377","0.002","22.597","0.005","90","","90","","90","","2167.1","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(3-nitrobenzoato)(μ~3~-1,2,4-triazolato)cobalt(II)]","","- C9 H6 Co N4 O4 -","- C9 H6 Co N4 O4 -","- C72 H48 Co8 N32 O32 -","8","1","IS2370","Qi, Xu-Liang","Poly[(3-nitrobenzoato)(μ~3~-1,2,4-triazolato)cobalt(II)]","Acta Crystallographica Section E","2009","65","2","m134","","10.1107/S1600536808043596","","","0.71073","MoKα","","0.0255","0.0225","","","0.057","0.0586","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220856","15.177","0.003","13.735","0.003","17.497","0.004","90","","90","","90","","3647.4","1.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Butoxy-3-(2,4-dichlorophenyl)-1-oxaspiro[4.5]dec-3-en-2-one","","- C19 H22 Cl2 O3 -","- C19 H22 Cl2 O3 -","- C152 H176 Cl16 O24 -","8","1","LH2747","Xu, Liang-zhong; Sun, Shan-qi; Guo, Wei; Su, Qun-qun","4-Butoxy-3-(2,4-dichlorophenyl)-1-oxaspiro[4.5]dec-3-en-2-one","Acta Crystallographica Section E","2009","65","2","o302","","10.1107/S1600536809000579","","","0.71073","MoKα","","0.0585","0.0452","","","0.1248","0.1311","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220877","9.5874","0.0014","17.888","0.003","22.025","0.003","90","","90","","90","","3777.3","1","290","2","290","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","","- C23 H16 Cl N O S -","- C23 H16 Cl N O S -","- C184 H128 Cl8 N8 O8 S8 -","8","1","NG2532","Manivel, P.; Hathwar, Venkatesha R.; Nithya, P.; Subashini, R.; Nawaz Khan, F.","1-(4-Chlorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","Acta Crystallographica Section E","2009","65","2","o254","","10.1107/S1600536809000257","","","0.71073","MoKα","","0.1387","0.0709","","","0.109","0.125","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220878","16.9008","0.0011","9.8036","0.0007","23.3226","0.0016","90","","90","","90","","3864.3","0.5","290","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-(4-Chloro-3-fluorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","","- C23 H15 Cl F N O S -","- C23 H15 Cl F N O S -","- C184 H120 Cl8 F8 N8 O8 S8 -","8","1","NG2534","Manivel, P.; Hathwar, Venkatesha R.; Maiyalagan, T.; Arslan, N. Burcu; Nawaz Khan, F.","1-(4-Chloro-3-fluorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","Acta Crystallographica Section E","2009","65","2","o334","","10.1107/S1600536809001573","","","0.71073","MoKα","","0.0917","0.0556","","","0.1155","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220898","8.7673","0.0018","16.732","0.003","21.574","0.004","90","","90","","90","","3164.8","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","","- C19 H12 Br2 Cl N -","- C19 H12 Br2 Cl N -","- C152 H96 Br16 Cl8 N8 -","8","1","RN2052","Cui, Jian-lan; Duan, Mei; Cai, Liu-qing","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","2","o215","","10.1107/S1600536808042815","","","0.71073","MoKα","","0.0602","0.0474","","","0.1023","0.1081","","","","","","1.102","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220910","8.55","0.001","15.8676","0.0018","18.593","0.002","90","","90","","90","","2522.5","0.5","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[2-(Hydroxymethyl)phenyl]-1-phenylethanol","","- C15 H16 O2 -","- C15 H16 O2 -","- C120 H128 O16 -","8","1","SI2148","Manivel, P.; Hathwar, Venkatesha R.; Mohanaroopan, S.; Prabakaran, K.; Khan, F. Nawaz","2-[2-(Hydroxymethyl)phenyl]-1-phenylethanol","Acta Crystallographica Section E","2009","65","2","o406","","10.1107/S1600536809003043","","","0.71073","MoKα","","0.0789","0.0477","","","0.0906","0.1004","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220931","12.7906","0.0002","7.7731","0.0001","14.4354","0.0003","90","","90","","90","","1435.21","0.04","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Hydrazino-2-(methylsulfanyl)pyrimidine","","- C5 H8 N4 S -","- C5 H8 N4 S -","- C40 H64 N32 S8 -","8","1","TK2360","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Adhikari, Adithya; Kalluraya, Balakrishna","4-Hydrazino-2-(methylsulfanyl)pyrimidine","Acta Crystallographica Section E","2009","65","2","o422","","10.1107/S1600536809003286","","","0.71073","MoKα","","0.039","0.032","","","0.082","0.087","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220936","8.79263","0.00011","9.79795","0.0001","10.08393","0.00011","90","","90","","90","","868.728","0.017","298","","298","","","","","","","","Mt. Cobalt, Cloncurry District, Queensland, Australia","5","P b c a","-P 2ac 2ab","61","","aluminium orthoarsenate(V) dihydrate","Mansfieldite","- Al0.95 As Co0.05 H4 O6 -","- Al0.95 As Co0.05 H4 O6 -","- Al7.6 As8 Co0.4 H32 O48 -","8","1","WM2209","Zoppi, Matteo; Pratesi, Giovanni","Rietveld refinement of a natural cobaltian mansfieldite from synchrotron data","Acta Crystallographica Section E","2009","65","2","i6","i7","10.1107/S1600536808044127","","","0.6878","synchrotron","","","","","","","","","","1.31","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2220986","12.7737","0.0003","8.8047","0.0002","31.2345","0.0007","90","","90","","90","","3512.9","0.14","294","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-benzyl-3-furoyl-1-phenylthiourea","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","1","BQ2112","Estévez-Hernández, O.; Corrêa, Rodrigo S.; Ellena, J.; Duque, J.","Redetermination of 1-benzyl-3-furoyl-1-phenylthiourea","Acta Crystallographica Section E","2009","65","3","o648","","10.1107/S1600536808044085","","","0.71073","MoKα","","","0.041","","","","0.1137","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220987","7.2693","0.0013","13.0037","0.0019","25.2711","0.0016","90","","90","","90","","2388.8","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C104 H72 Cl16 N8 O8 -","8","1","BQ2118","Zhang, Xinli","4-Chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2009","65","3","o512","","10.1107/S1600536809003924","","","0.71073","MoKα","","0.0625","0.0372","","","0.0811","0.0992","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220997","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Ramesh, P.; Subbiahpandi, A.; Thirumurugan, P.; Perumal, Paramasivan T.; Ponnuswamy, M. N.","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","Acta Crystallographica Section E","2009","65","3","o450","","10.1107/S1600536809001354","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220999","14.7247","0.001","9.2803","0.0007","23.0393","0.0016","90","","90","","90","","3148.3","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-one","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","BT2850","Asghar, Muhammad Nadeem; Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Shafiq, Muhammad","3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-one","Acta Crystallographica Section E","2009","65","3","o463","","10.1107/S1600536809001792","","","0.71073","MoKα","","0.1714","0.0495","","","0.1097","0.1627","","","","","","0.924","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221000","9.2966","0.0007","8.1966","0.0005","30.5738","0.0019","90","","90","","90","","2329.7","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[2-(4-Fluorophenyl)-1<i>H</i>-pyrrol-3-yl]pyridine","","- C15 H11 F N2 -","- C15 H11 F N2 -","- C120 H88 F8 N16 -","8","1","BT2858","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[2-(4-Fluorophenyl)-1<i>H</i>-pyrrol-3-yl]pyridine","Acta Crystallographica Section E","2009","65","3","o457","","10.1107/S160053680900364X","","","1.54178","CuKα","","0.0543","0.0415","","","0.1108","0.1199","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221003","15.39","0.0012","10.1269","0.0007","28.233","0.002","90","","90","","90","","4400.2","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methoxy-9-phenylsulfonyl-2-(2-thienyl)-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","","- C25 H17 N O3 S3 -","- C25 H17 N O3 S3 -","- C200 H136 N8 O24 S24 -","8","1","BT2862","Chakkaravarthi, G.; Marx, A.; Dhayalan, V.; Mohanakrishnan, A. K.; Manivannan, V.","6-Methoxy-9-phenylsulfonyl-2-(2-thienyl)-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2009","65","3","o464","o465","10.1107/S1600536809003493","","","0.71073","MoKα","","0.0826","0.0527","","","0.148","0.1753","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221027","16.672","0.0003","15.1689","0.0004","20.3777","0.0004","90","","90","","90","","5153.44","0.19","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<i>N</i>,<i>N</i>-Bis(diphenylphosphino)isopropylamine]dibromidonickel(II)","","- C27 H27 Br2 N Ni P2 -","- C27 H27 Br2 N Ni P2 -","- C216 H216 Br16 N8 Ni8 P16 -","8","1","CI2764","Hapke, Marko; Wöhl, Anina; Peitz, Stephan; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","[<i>N</i>,<i>N</i>-Bis(diphenylphosphino)isopropylamine]dibromidonickel(II)","Acta Crystallographica Section E","2009","65","3","m252","","10.1107/S1600536809003936","","","0.71073","MoKα","","0.0679","0.0356","","","0.0581","0.0641","","","","","","0.885","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221111","12.155","0.001","8.3819","0.0009","18.335","0.002","90","","90","","90","","1868","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane","","- C20 H16 Br4 -","- C20 H16 Br4 -","- C80 H64 Br16 -","4","0.5","IM2094","Clément, Sébastien; Guyard, Laurent; Knorr, Michael; Däschlein, Christian; Strohmann, Carsten","4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane","Acta Crystallographica Section E","2009","65","3","o528","","10.1107/S1600536809002475","","","0.71073","MoKα","","0.0397","0.0319","","","0.0699","0.0732","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221113","9.217","0.002","8.1064","0.0005","30.665","0.005","90","","90","","90","","2291.2","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[5-(4-Fluorophenyl)-1<i>H</i>-imidazol-4-yl]pyridine","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C112 H80 F8 N24 -","8","1","IM2099","Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[5-(4-Fluorophenyl)-1<i>H</i>-imidazol-4-yl]pyridine","Acta Crystallographica Section E","2009","65","3","o573","","10.1107/S1600536809005650","","","1.54178","CuKα","","0.0891","0.0764","","","0.1891","0.201","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221181","13.2762","0.0003","8.87","0.0002","27.1997","0.0005","90","","90","","90","","3203.03","0.12","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(1-Naphthyl)-10<i>H</i>-9-oxa-1,3-diazaanthracen-4-amine","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","SJ2571","Fun, Hoong-Kun; Chantrapromma, Suchada; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.","<i>N</i>-(1-Naphthyl)-10<i>H</i>-9-oxa-1,3-diazaanthracen-4-amine","Acta Crystallographica Section E","2009","65","3","o523","o524","10.1107/S1600536809004693","","","0.71073","MoKα","","0.0647","0.0454","","","0.1272","0.1422","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221203","13.7421","0.0002","18.0682","0.0003","18.6113","0.0004","90","","90","","90","","4621.09","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-2-methylquinolin-8-olato)- κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C24 H22 N2 O6 Pb2 -","- C24 H22 N2 O6 Pb2 -","- C192 H176 N16 O48 Pb16 -","8","1","TK2364","Mohammadnezhad Sh., Gholamhossein; Amini, Mostafa M.; Ng, Seik Weng","Bis(μ-2-methylquinolin-8-olato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2009","65","3","m260","","10.1107/S1600536809003560","","","0.71073","MoKα","","0.07","0.046","","","0.104","0.115","","","","","","1.45","","","","has coordinates,has Fobs","194583","2020-10-21","18:00:00",""
"2221290","6.0062","0.0004","9.8036","0.0006","44.943","0.004","90","","90","","90","","2646.4","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","BT2892","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Rodrigues, Vinola Zeena; Fuess, Hartmut","<i>N</i>-(2,4-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2009","65","4","o826","","10.1107/S1600536809009830","","","0.71073","MoKα","","0.1197","0.0984","","","0.2318","0.2413","","","","","","1.137","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221308","12.932","0.002","8.756","0.002","25.784","0.003","90","","90","","90","","2919.6","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-3-methoxybenzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","BX2198","Li, Cong-Ming; Ban, Hong-Yan","(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-3-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","4","o876","","10.1107/S1600536809010228","","","0.71073","MoKα","","0.0979","0.0572","","","0.1261","0.1447","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221316","14.4004","0.0015","8.1553","0.001","28.593","0.003","90","","90","","90","","3357.9","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl2 O -","- C20 H16 Cl2 O -","- C160 H128 Cl16 O8 -","8","1","CV2518","Liu, Deyun","2,6-Bis(2-chlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2009","65","4","o694","","10.1107/S1600536809007648","","","0.71073","MoKα","","0.0968","0.0446","","","0.0917","0.1239","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221351","5.3232","0.0001","12.2981","0.0003","20.8148","0.0005","90","","90","","90","","1362.65","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-2-Oxocyclopentaneacetic acid","","- C7 H10 O3 -","- C7 H10 O3 -","- C56 H80 O24 -","8","1","FL2241","Efthimiopoulos, Georgia; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-2-Oxocyclopentaneacetic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica Section E","2009","65","4","o937","","10.1107/S1600536809010708","","","1.54178","CuKα","","0.034","0.033","","","0.085","0.086","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221359","20.218","0.004","7.538","0.002","20.699","0.004","90","","90","","90","","3154.6","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","lophine","2,4,5-triphenyl-1<i>H</i>-imidazole","","- C21 H16 N2 -","- C21 H16 N2 -","- C168 H128 N16 -","8","1","HB2915","Yanover, Diana; Kaftory, Menahem","Lophine (2,4,5-triphenyl-1<i>H</i>-imidazole)","Acta Crystallographica Section E","2009","65","4","o711","","10.1107/S1600536809006552","","","0.71073","MoKα","","0.2032","0.0884","","","0.2228","0.2452","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221398","6.9134","0.0004","17.6934","0.0011","24.9073","0.0015","90","","90","","90","","3046.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[6-Thioxo-5-(2,4,6-trimethylphenyl)-1,3,5-thiadiazinan-3-yl]acetic acid","","- C14 H18 N2 O2 S2 -","- C14 H18 N2 O2 S2 -","- C112 H144 N16 O16 S16 -","8","1","HK2650","Arfan, Mohammad; Tahir, M. Nawaz; Shah, Muhammad Ishaq Ali; Khan, Rassol; Iqbal, Mohammad S.","2-[6-Thioxo-5-(2,4,6-trimethylphenyl)-1,3,5-thiadiazinan-3-yl]acetic acid","Acta Crystallographica Section E","2009","65","4","o902","","10.1107/S1600536809011027","","","0.71073","MoKα","","0.118","0.0462","","","0.0987","0.132","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221405","12.15","0.002","8.9578","0.0015","22.026","0.004","90","","90","","90","","2397.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(1,3-Benzothiazol-2-yl)iminomethyl]phenol","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C112 H80 N16 O8 S8 -","8","1","IS2387","Liu, Si-Quan; Bi, Cai-Feng; Chen, Liang-Yu; Fan, Yu-Hua","2-[(1,3-Benzothiazol-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2009","65","4","o738","","10.1107/S1600536809007934","","","0.71073","MoKα","","0.055","0.0447","","","0.1064","0.1129","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221424","20.045","0.002","13.2042","0.0019","24.253","0.003","90","","90","","90","","6419.2","1.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,3,4-Trimethoxy-6-methylbenzylideneamino)phenol","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C272 H304 N16 O64 -","16","2","LH2773","Wang, Cheng-Yun","4-(2,3,4-Trimethoxy-6-methylbenzylideneamino)phenol","Acta Crystallographica Section E","2009","65","4","o741","","10.1107/S1600536809008046","","","0.71073","MoKα","","0.1661","0.0629","","","0.1311","0.2061","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221463","12.1591","0.0004","13.0708","0.0004","18.5125","0.0007","90","","90","","90","","2942.18","0.17","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-3-<i>p</i>-tolyl-1,3-thiazolidin-4-one","","- C16 H14 Cl N O S -","- C16 H14 Cl N O S -","- C128 H112 Cl8 N8 O8 S8 -","8","1","NG2565","Sun, Xiao-Jun; Zhou, Jian-Feng; Zhang, Zai-Chao; Wang, Yu-Jie","2-(4-Chlorophenyl)-3-<i>p</i>-tolyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2009","65","4","o874","","10.1107/S1600536809010307","","","0.71073","MoKα","","0.0771","0.0435","","","0.0989","0.1147","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221464","14.215","0.005","12.733","0.005","17.575","0.006","90","","90","","90","","3181","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridoiodido(1,10-phenanthroline)platinum(IV) hemi[di(chloride/iodide)]","","- C12 H8 Cl3.72 I1.28 N2 Pt -","- C12 H8 Cl3.723 I1.277 N2 Pt -","- C96 H64 Cl29.784 I10.216 N16 Pt8 -","8","1","PK2156","Kim, Nam-Ho; Ha, Kwang","Tetra(chlorido/iodido)(1,10-phenanthroline)platinum(IV) hemi[di(chlorine/iodine)]","Acta Crystallographica Section E","2009","65","4","m379","","10.1107/S1600536809007703","","","0.71073","MoKα","","0.0567","0.0312","","","0.0563","0.0621","","","","","","0.86","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221508","8.4327","0.0017","15.116","0.003","16.702","0.003","90","","90","","90","","2129","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","SJ2599","Zhang, Tingting; Zhang, Tao; Ren, Yingtao; Liang, Hongze","2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid","Acta Crystallographica Section E","2009","65","4","o904","","10.1107/S1600536809010897","","","0.71073","MoKα","","0.0378","0.0324","","","0.0823","0.0856","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221545","10.0057","0.0008","7.9828","0.0007","17.6199","0.0014","90","","90","","90","","1407.4","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)pyridine","","- C8 H9 N3 -","- C8 H9 N3 -","- C64 H72 N24 -","8","1","WN2314","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","2-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)pyridine","Acta Crystallographica Section E","2009","65","4","o780","","10.1107/S1600536809009131","","","0.71073","MoKα","","0.082","0.0512","","","0.1231","0.1463","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221552","13.014","0.003","9.94","0.002","17.417","0.004","90","","90","","90","","2253","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tert-butyl 2-borono-1<i>H</i>-pyrrole-1-carboxylate","","- C9 H14 B N O4 -","- C9 H14 B N O4 -","- C72 H112 B8 N8 O32 -","8","1","XU2484","Zhong, Zheng; Lin, Guo-Qiang; Sun, Zhi-Hua; Wang, Bing","<i>tert</i>-Butyl 2-borono-1<i>H</i>-pyrrole-1-carboxylate","Acta Crystallographica Section E","2009","65","4","o687","","10.1107/S1600536809007375","","","0.71073","MoKα","","0.0766","0.0416","","","0.0937","0.1058","","","","","","0.846","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221568","7.7646","0.0007","16.304","0.002","18.993","0.002","90","","90","","90","","2404.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(5-Bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","","- C11 H9 Br O4 S -","- C11 H9 Br O4 S -","- C88 H72 Br8 O32 S8 -","8","1","ZL2184","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(5-Bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2009","65","4","o726","","10.1107/S1600536809008101","","","0.71073","MoKα","","0.0539","0.0358","","","0.0835","0.0936","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221589","7.9967","0.0009","11.92","0.0013","19.721","0.002","90","","90","","90","","1879.8","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-guanidinobenzenesulfonic acid","4-{[amino(inimio)methyl]amino}benzenesulfonate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C56 H72 N24 O24 S8 -","8","1","BQ2128","Wang, Wei-Feng; Wei, Chang-Mei; Zhu, Hong-Jun","4-Guanidinobenzenesulfonic acid","Acta Crystallographica Section E","2009","65","5","o980","","10.1107/S1600536809012355","","","0.71073","MoKα","","0.0623","0.0394","","","0.0964","0.1097","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221623","10.5192","0.0003","9.9839","0.0003","40.8415","0.0012","90","","90","","90","","4289.3","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-[4-(Decyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C25 H32 O3 -","- C25 H32 O3 -","- C200 H256 O24 -","8","1","CI2782","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ngaini, Zainab; Rahman, Norashikin Irdawaty Abd; Hussain, Hasnain","(<i>E</i>)-3-[4-(Decyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","5","o1092","o1093","10.1107/S160053680901441X","","","0.71073","MoKα","","0.1009","0.0641","","","0.1124","0.132","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221637","7.296","0.003","17.117","0.004","29.651","0.003","90","","90","","90","","3703","1.8","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(1-benzyl-1<i>H</i>-imidazole)dichloridonickel(II)","","- C40 H40 Cl2 N8 Ni -","- C40 H40 Cl2 N8 Ni -","- C160 H160 Cl8 N32 Ni4 -","4","0.5","CV2549","Li, Hongjuan; Sun, Jufeng; Dai, Xianping","Tetrakis(1-benzyl-1<i>H</i>-imidazole)dichloridonickel(II)","Acta Crystallographica Section E","2009","65","5","m564","","10.1107/S1600536809014494","","","0.71073","MoKα","","0.2068","0.0791","","","0.1783","0.2307","","","","","","1.144","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221642","19.62","0.002","12.8763","0.0013","20.698","0.002","90","","90","","90","","5229","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Diethyl ether){1-[2-(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1,1- diphenylethyl]-(1,2,3,3a,7a-η)-indenyl}lithium(I)","","- C31 H33 Li N2 O -","- C31 H33 Li N2 O -","- C248 H264 Li8 N16 O8 -","8","1","DN2437","Sun, Guofeng; Tian, Chong; Nie, Wanli; Borzov, Maxim V.","(Diethyl ether){1-[2-(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1,1-diphenylethyl]-(1,2,3,3a,7a-η)-indenyl}lithium(I)","Acta Crystallographica Section E","2009","65","5","m478","","10.1107/S1600536809011556","","","0.71073","MoKα","","0.1114","0.0481","","","0.1315","0.1522","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221643","8.4656","0.0002","9.4848","0.0002","31.0957","0.0009","90","","90","","90","","2496.81","0.11","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","DN2440","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(2,3-Dimethylphenyl)benzamide","Acta Crystallographica Section E","2009","65","5","o965","","10.1107/S1600536809012112","","","0.71073","MoKα","","0.0801","0.0515","","","0.1367","0.1461","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221713","13.39","0.003","10.465","0.002","20.768","0.004","90","","90","","90","","2910.1","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Benzyloxy-5-methoxy-2-nitrophenyl)ethanone","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C128 H120 N8 O40 -","8","1","HK2654","Gao, Lei; Guo, Li-hua; Liu, Rui; Que, Dan-hua; Ma, Hong-fei","1-(4-Benzyloxy-5-methoxy-2-nitrophenyl)ethanone","Acta Crystallographica Section E","2009","65","5","o1005","","10.1107/S1600536809011532","","","0.71073","MoKα","","0.1268","0.0708","","","0.1827","0.2225","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221718","9.301","0.0019","7.649","0.0015","31.394","0.006","90","","90","","90","","2233.5","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-isopropoxyphenyl)acetamide","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","HK2659","Zhang, Min; Lu, Ran-Zhe; Han, Lu-Na; Wei, Wen-Bin; Wang, Hai-Bo","<i>N</i>-(4-Isopropoxyphenyl)acetamide","Acta Crystallographica Section E","2009","65","5","o1017","","10.1107/S1600536809012665","","","0.71073","MoKα","","0.1257","0.0678","","","0.1723","0.2018","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221719","15.379","0.003","8.282","0.0017","17.374","0.004","90","","90","","90","","2212.9","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-bromo-1-mesitylethanone","","- C11 H13 Br O -","- C11 H13 Br O -","- C88 H104 Br8 O8 -","8","1","HK2660","Chen, Lei; Xu, Qing-Bing; Song, Guang-Liang; Zhu, Hong-Jun","2-Bromo-1-mesitylethanone","Acta Crystallographica Section E","2009","65","5","o1083","","10.1107/S1600536809012276","","","0.71073","MoKα","","0.1981","0.0637","","","0.0732","0.0946","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221734","10.0683","0.0001","15.464","0.0002","16.3436","0.0002","90","","90","","90","","2544.64","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetranitrobiphenyl","","- C12 H6 N4 O8 -","- C12 H6 N4 O8 -","- C96 H48 N32 O64 -","8","1","IM2105","Hammond, N.; Carvalho, P.; Wu, Y.; Avery, M. A.","3,3',5,5'-Tetranitrobiphenyl","Acta Crystallographica Section E","2009","65","5","o1052","o1053","10.1107/S1600536809011088","","","1.54178","CuKα","","0.0304","0.0303","","","0.0807","0.0809","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221755","8.2143","0.0004","9.6296","0.0003","16.8088","0.0007","90","","90","","90","","1329.58","0.09","153","1","153","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis(1<i>H</i>-benzimidazol-2-yl)-2-oxapropane","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","0.5","LH2795","Chen, Ying; Guo, Jixi; Yun, Ruirui; Wu, Huilu","1,3-Bis(1<i>H</i>-benzimidazol-2-yl)-2-oxapropane","Acta Crystallographica Section E","2009","65","5","o948","","10.1107/S1600536809011507","","","0.71073","MoKα","","0.0556","0.0425","","","0.1011","0.1116","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221767","14.9638","0.0006","6.3639","0.0002","28.2466","0.0012","90","","90","","90","","2689.87","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methoxyphenyl)-3-phenyl-1<i>H</i>-pyrazol-5-amine","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","1","LH2810","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","1-(4-Methoxyphenyl)-3-phenyl-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2009","65","5","o1170","","10.1107/S1600536809015463","","","0.71073","MoKα","","0.0625","0.0436","","","0.1008","0.1113","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221834","5.4777","0.0006","13.6049","0.0012","21.7278","0.0018","90","","90","","90","","1619.2","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-(Hexane-1,6-diyldioxy)dianiline","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","TK2416","Khan, Muhammad Saif Ullah; Akhter, Zareen; Bolte, Michael; Siraj, Amna; Siddiqi, Humaira M.","4,4'-(Hexane-1,6-diyldioxy)dianiline","Acta Crystallographica Section E","2009","65","5","o1096","","10.1107/S160053680901321X","","","0.71073","MoKα","","0.055","0.039","","","0.097","0.103","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221836","7.385","0.001","14.073","0.0004","30.563","0.0009","90","","90","","90","","3176.4","0.4","295","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1<i>H</i>-anthraceno[1,2-<i>d</i>]imidazole-6,11-dione","","- C22 H14 N2 O2 -","- C22 H14 N2 O2 -","- C176 H112 N16 O16 -","8","1","TK2418","Guimarães, Tiago T.; Da Silva Júnior, Eufrânio N.; Carvalho, Carlos Eduardo M.; De Simone, Carlos A.; Pinto, Antonio V.","2-(4-Methylphenyl)-1<i>H</i>-anthraceno[1,2-<i>d</i>]imidazole-6,11-dione: a fluorescent chemosensor","Acta Crystallographica Section E","2009","65","5","o1063","","10.1107/S1600536809013634","","","0.71073","MoKα","","0.106","0.06","","","0.13","0.155","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221856","11.6378","0.0004","9.3228","0.0004","25.0592","0.0009","90","","90","","90","","2718.85","0.18","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[1-(1-Naphthyl)-1<i>H</i>-1,2,3-triazol-4-yl]pyridine","","- C17 H12 N4 -","- C17 H12 N4 -","- C136 H96 N32 -","8","1","WN2322","Happ, Bobby; Hoogenboom, Richard; Winter, Andreas; Hager, Martin D.; Baumann, Stefan O.; Kickelbick, Guido; Schubert, Ulrich S.","2-[1-(1-Naphthyl)-1<i>H</i>-1,2,3-triazol-4-yl]pyridine","Acta Crystallographica Section E","2009","65","5","o1146","","10.1107/S160053680901407X","","","0.71073","MoKα","","0.0471","0.035","","","0.1036","0.1196","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221886","7.457","0.004","11.072","0.006","31.063","0.018","90","","90","","90","","2565","2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C128 H104 F8 O16 -","8","1","AT2773","Zhao, Pu-Su; Wang, Xian; Guo, Huan-Mei; Jian, Fang-Fang","3-(4-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","6","o1402","","10.1107/S1600536809018121","","","0.71073","MoKα","","0.0593","0.0391","","","0.1025","0.1159","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221911","19.434","0.012","13.186","0.007","22.149","0.011","90","","90","","90","","5676","5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1-Adamantyl){4-[(2-chloro-9-isopropyl-9<i>H</i>-purin-6- yl)aminomethyl]phenyl}methanone trichloromethane solvate","","- C27 H31 Cl4 N5 O -","- C27 H31 Cl4 N5 O -","- C216 H248 Cl32 N40 O8 -","8","1","BI2361","Rouchal, Michal; Nečas, Marek; Vícha, Robert","(1-Adamantyl){4-[(2-chloro-9-isopropyl-9<i>H</i>-purin-6-yl)aminomethyl]phenyl}methanone trichloromethane solvate","Acta Crystallographica Section E","2009","65","6","o1268","","10.1107/S1600536809016596","","","0.71073","MoKα","","0.1171","0.0497","","","0.1232","0.1772","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221926","12.6184","0.0003","9.7774","0.0002","29.7991","0.0006","90","","90","","90","","3676.47","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(2-Hydroxyethyl)iminomethyl]-1,1'-bi-2-naphthol","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C184 H152 N8 O24 -","8","1","BT2938","Zhang, Yu; Wang, Kun; Zhong, Ling-Zhi; Li, Rui-Xiang","3-[(2-Hydroxyethyl)iminomethyl]-1,1'-bi-2-naphthol","Acta Crystallographica Section E","2009","65","6","o1226","","10.1107/S1600536809016407","","","0.71073","MoKα","","0.1489","0.0545","","","0.1059","0.1346","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221967","10.632","0.002","14.559","0.003","18.257","0.004","90","","90","","90","","2826","1","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3'-[(<i>tert</i>-Butoxycarbonyl)azanediyl]dipropanoic acid","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C88 H152 N8 O48 -","8","1","CI2799","Tao, Yuan; Liang, Yu-Feng; Guo, Xiao-Qiang; Mao, Zhi-Hua; Qi, Qing-Rong","3,3'-[(<i>tert</i>-Butoxycarbonyl)azanediyl]dipropanoic acid","Acta Crystallographica Section E","2009","65","6","o1408","","10.1107/S1600536809018911","","","0.71073","MoKα","","0.1759","0.0538","","","0.1334","0.1705","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221980","12.6","0.005","15.498","0.006","15.574","0.005","90","","90","","90","","3041.2","1.9","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichlorido[<i>N</i>,<i>N</i>-dimethyl-2-(η^5^- tetramethylcyclopentadienyl)acetamidinido-κ<i>N</i>']titanium(IV)","","- C13 H20 Cl2 N2 Ti -","- C13 H20 Cl2 N2 Ti -","- C104 H160 Cl16 N16 Ti8 -","8","1","CV2554","Guo, Donglong; Tong, Hong-Bo; Zhou, Meisu","The <i>ansa</i>-bridged cyclopentadienyl titanium complex [{η^5^-C~5~Me~4~CH~2~-C(NMe~2~)=N}TiCl~2~]","Acta Crystallographica Section E","2009","65","6","m611","","10.1107/S1600536809015839","","","0.71073","MoKα","","0.0594","0.0555","","","0.1148","0.1166","","","","","","1.269","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221991","13.839","0.003","7.013","0.007","19.469","0.01","90","","90","","90","","1890","2","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Pyridyl)benzoic acid","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","DN2447","Xing, Jianxin","3-(4-Pyridyl)benzoic acid","Acta Crystallographica Section E","2009","65","6","o1239","","10.1107/S1600536809015530","","","0.71069","MoKα","","0.0832","0.0447","","","0.1156","0.1354","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222026","8.7711","0.0003","12.7193","0.0007","12.9289","0.0006","90","","90","","90","","1442.38","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Ammonio-4-hydroxybenzoate monohydrate","","- C7 H9 N O4 -","- C7 H9 N O4 -","- C56 H72 N8 O32 -","8","1","HB2969","Ullah, Sami; Tahir, M. Nawaz; Shahwar, Durre; Khan, Zaheer-ud-Din; Khan, Muhammad Akmal","3-Ammonio-4-hydroxybenzoate monohydrate","Acta Crystallographica Section E","2009","65","6","o1304","","10.1107/S1600536809017462","","","0.71073","MoKα","","0.0635","0.0424","","","0.1069","0.1178","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222034","13.2684","0.0009","12.4293","0.0009","20.2231","0.0015","90","","90","","90","","3335.1","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-(1-Adamantyl)-3-(2-fluorophenyl)-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C19 H19 F N4 S -","- C19 H19 F N4 S -","- C152 H152 F8 N32 S8 -","8","1","HB2984","Khan, Mahmood-ul-Hassan; Hameed, Shahid; Tahir, M. Nawaz; Bokhari, Tanveer Hussain; Khan, Islam Ullah","6-(1-Adamantyl)-3-(2-fluorophenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2009","65","6","o1437","","10.1107/S1600536809019692","","","0.71073","MoKα","","0.0746","0.0468","","","0.1168","0.1361","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222043","14.4478","0.0002","12.3681","0.0001","18.3551","0.0002","90","","90","","90","","3279.91","0.06","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tin(IV) 1,2-dichloroethane hemisolvate","","- C13 H10 Cl5 N2 Sn -","- C13 H10 Cl5 N2 Sn -","- C104 H80 Cl40 N16 Sn8 -","8","1","HG2511","Momeni, Badri Z.; Rominger, Frank; Hosseini, Simin S.","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tin(IV) 1,2-dichloroethane hemisolvate","Acta Crystallographica Section E","2009","65","6","m690","","10.1107/S1600536809017346","","","0.71073","MoKα","","0.0485","0.0324","","","0.0774","0.0851","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222048","6.6583","0.0013","13.826","0.003","24.3","0.005","90","","90","","90","","2237","0.8","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Carboxy-1-phenylethanaminium perchlorate","","- C9 H12 Cl N O6 -","- C9 H12 Cl N O6 -","- C72 H96 Cl8 N8 O48 -","8","1","HK2675","Li, Xiu-Zhi; Li, Hui; Qu, Zhi-Rong","2-Carboxy-1-phenylethanaminium perchlorate","Acta Crystallographica Section E","2009","65","6","o1214","","10.1107/S1600536809016171","","","0.71073","MoKα","","0.0719","0.0526","","","0.1033","0.1103","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222056","11.1653","0.0009","8.0295","0.0005","22.3714","0.0018","90","","90","","90","","2005.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Phenylmethanaminium chloroacetate","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C72 H96 Cl8 N8 O16 -","8","1","HK2686","Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Khan, Muhammad Akmal; Yasmeen, Asma","Phenylmethanaminium chloroacetate","Acta Crystallographica Section E","2009","65","6","o1312","","10.1107/S1600536809017802","","","0.71073","MoKα","","0.0819","0.043","","","0.1037","0.1214","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222083","19.538","0.004","10.104","0.002","20.735","0.004","90","","90","","90","","4093.3","1.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C176 H224 N32 O16 -","16","2","JH2079","Zhang, Ling; Shi, Daxin; Fan, Yanqiu; Qian, Dongfeng; Li, Jiarong","2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2009","65","6","o1345","","10.1107/S1600536809018480","","","0.71073","MoKα","","0.0471","0.0428","","","0.1153","0.1189","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222107","13.872","0.0008","16.511","0.0011","22.812","0.0016","90","","90","","90","","5224.9","0.6","293","","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one","","- C26 H32 Cl N O8 -","- C26 H32 Cl N O8 -","- C208 H256 Cl8 N8 O64 -","8","1","NC2143","Lakshminarayana, B. N.; Shashidhara Prasad, J.; Gnanendra, C. R.; Sridhar, M. A.; Chenne Gowda, D.","1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one","Acta Crystallographica Section E","2009","65","6","o1237","","10.1107/S1600536809015864","","","0.71073","MoKα","","0.0906","0.0616","","","0.166","0.186","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222117","12.9848","0.0007","11.2625","0.0006","19.0037","0.001","90","","90","","90","","2779.1","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1-(1-Adamantylamino)ethylidene]oxonium methanesulfonate","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C104 H184 N8 O32 S8 -","8","1","PK2161","Vícha, Robert; Nečas, Marek; Kozubková, Zuzana; Potáček, Milan","[1-(1-Adamantylamino)ethylidene]oxonium methanesulfonate","Acta Crystallographica Section E","2009","65","6","o1307","","10.1107/S1600536809017632","","","0.71073","MoKα","","0.0454","0.0337","","","0.0913","0.1017","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222147","13.066","0.003","13.416","0.003","21.987","0.004","90","","90","","90","","3854.2","1.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[9-Ethyl-6-(2-methylbenzoyl)-9<i>H</i>-carbazol-3-yl]ethanone","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","SU2106","Hang, Ye-Chao; Ji, Jin-Xiu; Chen, Min-Dong","1-[9-Ethyl-6-(2-methylbenzoyl)-9<i>H</i>-carbazol-3-yl]ethanone","Acta Crystallographica Section E","2009","65","6","o1198","","10.1107/S1600536809016080","","","0.71073","MoKα","","0.1724","0.068","","","0.1392","0.1782","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222149","7.2713","0.001","12.6671","0.0018","20.458","0.003","90","","90","","90","","1884.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-(6-methyl-2-pyridyl)methylene]hexane- 1,6-diamine","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","0.5","SU2109","Ramos Silva, Manuela; Silva, Joana A.; Matos Beja, Ana; Sobral, Abilio J. F.N.","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-(6-methyl-2-pyridyl)methylene]hexane-1,6-diamine","Acta Crystallographica Section E","2009","65","6","o1255","","10.1107/S1600536809016730","","","0.71073","MoKα","","0.2091","0.0562","","","0.1253","0.1841","","","","","","0.884","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222169","10.0237","0.0002","9.7695","0.0002","35.322","0.0006","90","","90","","90","","3458.96","0.12","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C21 H24 O3 -","- C21 H24 O3 -","- C168 H192 O24 -","8","1","TK2457","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ngaini, Zainab; Rahman, Norashikin Irdawaty Abd; Hussain, Hasnain","(<i>E</i>)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","6","o1439","o1440","10.1107/S1600536809019436","","","0.71073","MoKα","","0.137","0.073","","","0.117","0.139","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222216","11.1886","0.0007","14.4464","0.0009","20.5927","0.0013","90","","90","","90","","3328.5","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-4-hydroxybenzohydrazide methanol solvate","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C128 H136 Br8 N16 O32 -","8","1","AT2817","Lin, Xue-Song; Sang, Ya-Li","<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-4-hydroxybenzohydrazide methanol solvate","Acta Crystallographica Section E","2009","65","7","o1650","","10.1107/S1600536809022983","","","0.71073","MoKα","","0.0956","0.054","","","0.1557","0.1786","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222222","8.5379","0.0017","14.696","0.003","15.467","0.003","90","","90","","90","","1940.7","0.7","272","3","272","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-Bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene]bis[difluoridoboron(III)]","","- C20 H18 B2 F4 N6 -","- C20 H18 B2 F4 N6 -","- C80 H72 B8 F16 N24 -","4","0.5","BG2262","Li, Xin-Sheng; Mo, Juan; Yuan, Li; Liu, Jian-Hua; Zhang, Su-Mei","[μ-Bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene]bis[difluoridoboron(III)]","Acta Crystallographica Section E","2009","65","7","o1673","","10.1107/S1600536809022491","","","0.71073","MoKα","","0.0613","0.0453","","","0.1153","0.1273","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222243","5.1405","0.0001","17.7653","0.0003","31.3919","0.0006","90","","90","","90","","2866.79","0.09","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Methylimidazo[1,2-<i>a</i>]pyridin-3-yl)-3,3-bis(methylsulfanyl)prop- 2-enone monohydrate","","- C13 H16 N2 O2 S2 -","- C13 H16 N2 O2 S2 -","- C104 H128 N16 O16 S16 -","8","1","BQ2145","Bibila Mayaya Bisseyou, Yvon; Sissouma, Drissa; Goulizan Bi, Severin D.; Ouattara, Mahama; Yao-Kakou, R. C. A.","1-(2-Methylimidazo[1,2-<i>a</i>]pyridin-3-yl)-3,3-bis(methylsulfanyl)prop-2-enone monohydrate","Acta Crystallographica Section E","2009","65","7","o1698","o1699","10.1107/S1600536809023514","","","0.71073","MoKα","","0.0988","0.0467","","0.1375","0.1049","0.0973","","","","","","0.9899","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222251","15.611","0.0007","9.1151","0.0005","26.8142","0.0012","90","","90","","90","","3815.5","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C21 H24 N2 Ni O4 -","- C21 H24 N2 Ni O4 -","- C168 H192 N16 Ni8 O32 -","8","1","BT2968","Montazerozohori, Morteza; Habibi, Mohammad Hossein; Mokhtari, Reza; Yamane, Yuki; Suzuki, Takayoshi","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","Acta Crystallographica Section E","2009","65","7","m703","","10.1107/S1600536809019965","","","0.71075","MoKα","","0.0289","0.0256","","","0.0688","0.0709","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222266","11.2074","0.0003","11.2406","0.0003","33.6082","0.0009","90","","90","","90","","4233.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine- 3',3''-pyrrolidine]-2,2'',5''-trione","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C192 H200 N24 O32 -","8","1","CI2815","Nirmala, S.; Karthikeyan, K.; Kamala, E. Theboral Sugi; Sudha, L.; Perumal, P. T.","4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione","Acta Crystallographica Section E","2009","65","7","o1655","o1656","10.1107/S1600536809021114","","","0.71073","MoKα","","0.0869","0.0489","","","0.1261","0.152","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222272","10.1498","0.0003","11.0656","0.0003","20.7368","0.0007","90","","90","","90","","2329.03","0.12","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Diaminopyridinium benzoate","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C96 H104 N24 O16 -","8","1","CI2821","Balasubramani, Kasthuri; Fun, Hoong-Kun","2,3-Diaminopyridinium benzoate","Acta Crystallographica Section E","2009","65","7","o1519","","10.1107/S1600536809021011","","","0.71073","MoKα","","0.0927","0.0647","","","0.1137","0.1236","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222318","11.3197","0.0006","15.2174","0.0007","15.9061","0.0008","90","","90","","90","","2739.9","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(4-aminobenzenesulfonato-κ<i>N</i>)diaquabis(dimethylformamide- κ<i>O</i>)nickel(II) dihydrate","","- C18 H34 N4 Ni O12 S2 -","- C18 H34 N4 Ni O12 S2 -","- C72 H136 N16 Ni4 O48 S8 -","4","0.5","HB2985","Tan, Jun; He, Ya-Ping; Bao, Xiao-Li","Bis(4-aminobenzenesulfonato-κ<i>N</i>)diaquabis(dimethylformamide-κ<i>O</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2009","65","7","m724","m725","10.1107/S1600536809020406","","","0.71073","MoKα","","0.0388","0.0292","","","0.0701","0.0754","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222324","18.3024","0.0012","11.522","0.0008","19.8413","0.0013","90","","90","","90","","4184.1","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)bis{1,2-bis[bis(3- hydroxypropyl)phosphino]ethane-κ^2^<i>P</i>,<i>P</i>'}iron(II) dichloride","","- C32 H70 Cl2 Fe N2 O8 P4 -","- C32 H70 Cl2 Fe N2 O8 P4 -","- C128 H280 Cl8 Fe4 N8 O32 P16 -","4","0.5","HB2994","Gohdes, J. W.; Zakharov, Lev N.; Tyler, David R.","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)bis{1,2-bis[bis(3-hydroxypropyl)phosphino]ethane-κ^2^<i>P</i>,<i>P</i>'}iron(II) dichloride","Acta Crystallographica Section E","2009","65","7","m776","","10.1107/S1600536809021758","","","0.71073","MoKα","","0.0388","0.035","","","0.0883","0.0915","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222345","7.1358","0.0009","5.9752","0.0008","29.709","0.004","90","","90","","90","","1266.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimethyl biphenyl-4,4'-dicarboxylate","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","HG2528","Ritzerfeld, Verena; Pyrlik, Axel; Wang, Yutian; Englert, Ulli","Dimethyl biphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2009","65","7","o1677","","10.1107/S1600536809023605","","","0.71073","MoKα","","0.0624","0.0497","","","0.1351","0.1423","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222350","15.488","0.003","10.009","0.002","16.249","0.003","90","","90","","90","","2518.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(3-chloro-2-pyridyl)-5-oxopyrazolidine-3-carboxylate","","- C11 H12 Cl N3 O3 -","- C11 H12 Cl N3 O3 -","- C88 H96 Cl8 N24 O24 -","8","1","HK2697","Tan, Hai-Jun; He, Hai-Bing; Xia, Ming; Zhang, Xiang-Ning; Zhu, Hong-Jun","Ethyl 2-(3-chloro-2-pyridyl)-5-oxopyrazolidine-3-carboxylate","Acta Crystallographica Section E","2009","65","7","o1495","","10.1107/S1600536809020789","","","0.71073","MoKα","","0.0668","0.0429","","","0.099","0.1101","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222401","16.7887","0.0005","22.9766","0.0006","32.6782","0.0009","90","","90","","90","","12605.5","0.6","85","2","85","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","Bis[(1<i>S</i>*,2<i>S</i>*)-<i>trans</i>-1,2- bis(diphenylphosphinoxy)cyclohexane]chloridoruthenium(II) trifluoromethanesulfonate dichloromethane disolvate","","- C63 H64 Cl5 F3 O7 P4 Ru S -","- C63 H64 Cl5 F3 O7 P4 Ru S -","- C504 H512 Cl40 F24 O56 P32 Ru8 S8 -","8","1","LH2843","Clark, George R.; Lensink, Cornelis; Slade, Angela T.; Wright, L. James","Bis[(1<i>S</i>*,2<i>S</i>*)-<i>trans</i>-1,2-bis(diphenylphosphinoxy)cyclohexane]chloridoruthenium(II) trifluoromethanesulfonate dichloromethane disolvate","Acta Crystallographica Section E","2009","65","7","m804","m805","10.1107/S1600536809023034","","","0.71073","MoKα","","0.1005","0.0586","","","0.1158","0.1356","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222437","12.5712","0.0008","8.435","0.0006","16.007","0.001","90","","90","","90","","1697.35","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ~4~-3,5-dicarboxylatopyrazol-1-ido- κ^6^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^: <i>O</i>^5^,<i>O</i>^5'^)lanthanum(III)]","","- C5 H5 La N2 O6 -","- C5 H5 La N2 O6 -","- C40 H40 La8 N16 O48 -","8","1","RZ2328","Xia, Jun; Wei, Jun-Fu","Poly[diaqua(μ~4~-3,5-dicarboxylatopyrazol-1-ido-κ^6^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^,<i>O</i>^5'^)lanthanum(III)]","Acta Crystallographica Section E","2009","65","7","m732","","10.1107/S1600536809020479","","","0.71073","MoKα","","0.0194","0.0162","","","0.0396","0.0406","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222446","7.3886","0.0004","12.2071","0.0008","34.562","0.006","90","","90","","90","","3117.3","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-6-methoxy-2-(4-pyridyl)quinoxaline","","- C20 H14 F N3 O -","- C20 H14 F N3 O -","- C160 H112 F8 N24 O8 -","8","1","SI2176","Jahns, Hartmut; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","3-(4-Fluorophenyl)-6-methoxy-2-(4-pyridyl)quinoxaline","Acta Crystallographica Section E","2009","65","7","o1626","","10.1107/S1600536809022119","","","1.54178","CuKα","","0.0521","0.0436","","","0.1155","0.1236","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222477","11.0457","0.0001","16.8447","0.0002","19.1227","0.0002","90","","90","","90","","3558","0.06","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-Amido-3-oxidopyridinium-κ^2^<i>N</i>,<i>O</i>)dibenzylchloridotin(IV)","","- C19 H19 Cl N2 O Sn -","- C19 H19 Cl N2 O Sn -","- C152 H152 Cl8 N16 O8 Sn8 -","8","1","TK2469","Tan, Chui Lian; Lo, Kong Mun; Ng, Seik Weng","(2-Amido-3-oxidopyridinium-κ^2^<i>N</i>,<i>O</i>)dibenzylchloridotin(IV)","Acta Crystallographica Section E","2009","65","7","m721","","10.1107/S1600536809020339","","","0.71073","MoKα","","0.028","0.021","","","0.051","0.054","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222499","8.1572","0.0003","17.6371","0.0006","24.415","0.0008","90","","90","","90","","3512.6","0.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,4-Dinitro-2,5-bis[4-(trifluoromethyl)phenyl]thiophene","","- C18 H8 F6 N2 O4 S -","- C18 H8 F6 N2 O4 S -","- C144 H64 F48 N16 O32 S8 -","8","1","XU2528","Huang, Ping-Hsin; Shen, Jiun-Yi; Wen, Yuh-Sheng","3,4-Dinitro-2,5-bis[4-(trifluoromethyl)phenyl]thiophene","Acta Crystallographica Section E","2009","65","7","o1469","","10.1107/S1600536809020443","","","0.71073","MoKα","","0.0554","0.03","","","0.0509","0.0534","","","","","","0.804","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222514","9.808","0.002","8.5109","0.0017","20.851","0.004","90","","90","","90","","1740.5","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')zinc(II)]","","- C8 H24 Cl4 N4 Zn2 -","- C8 H24 Cl4 N4 Zn2 -","- C32 H96 Cl16 N16 Zn8 -","4","0.5","ZL2193","Yu, Ming-Ming; Shi, Qiu-Zhi; Zhang, Yu-Na; Li, Zhan-Xian","Di-μ-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]","Acta Crystallographica Section E","2009","65","7","m744","m745","10.1107/S1600536809019473","","","0.71073","MoKα","","0.0608","0.0485","","","0.1267","0.1324","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222525","7.1601","0.0009","20.039","0.003","26.592","0.003","90","","90","","90","","3815.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-4-nitrophthalato)bis[diaqua(1,10-phenanthroline)manganese(II)]","","- C40 H30 Mn2 N6 O16 -","- C40 H30 Mn2 N6 O16 -","- C160 H120 Mn8 N24 O64 -","4","0.5","AT2807","Xu, Bi-Yi; Xie, Ting; Lu, Sheng-Jun; Xue, Bin; Li, Wei","Bis(μ-4-nitrophthalato)bis[diaqua(1,10-phenanthroline)manganese(II)]","Acta Crystallographica Section E","2009","65","8","m856","m857","10.1107/S1600536809024064","","","0.71073","MoKα","","0.0547","0.0379","","","0.0949","0.1066","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222572","18.3294","0.0014","8.3139","0.0007","21.6532","0.0017","90","","90","","90","","3299.7","0.5","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-3-phenylisoquinoline","","- C20 H17 N3 -","- C20 H17 N3 -","- C160 H136 N24 -","8","1","BT2974","Manivel, P.; R. Hathwar, Venkatesha; Maiyalagan, T.; Krishnakumar, V.; Khan, F. Nawaz","1-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-3-phenylisoquinoline","Acta Crystallographica Section E","2009","65","8","o1798","","10.1107/S1600536809024842","","","0.71073","MoKα","","0.0624","0.052","","","0.1239","0.1287","","","","","","1.144","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222591","11.2918","0.0002","7.2275","0.0001","23.3359","0.0005","90","","90","","90","","1904.48","0.06","153","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(<i>o</i>-Tolyloxy)pyrimidine","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","BT2996","Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng","2-(<i>p</i>-Tolyloxy)pyrimidine","Acta Crystallographica Section E","2009","65","8","o1859","","10.1107/S1600536809026610","","","0.71073","MoKα","","0.0477","0.0382","","","0.101","0.109","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222628","12.711","0.0004","5.8323","0.0002","23.8844","0.0007","90","","90","","90","","1770.65","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid","","- C7 H10 O7 -","- C7 H10 O7 -","- C56 H80 O56 -","8","1","CI2844","Aliyu, Lawal; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun","3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid","Acta Crystallographica Section E","2009","65","8","o1843","","10.1107/S1600536809025598","","","0.71073","MoKα","","0.0458","0.0408","","","0.1038","0.1066","","","","","","1.121","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222630","14.532","0.004","12.375","0.004","17.311","0.004","90","","90","","90","","3113.1","1.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,5-Dimethoxyphenyl)-4-nitrobenzenesulfonamide","","- C14 H14 N2 O6 S -","- C14 H14 N2 O6 S -","- C112 H112 N16 O48 S8 -","8","1","CI2846","Zhang, Guo-Yao; Qian, Shan; Li, Xiao-Cen; Wu, Yong","<i>N</i>-(2,5-Dimethoxyphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2009","65","8","o1939","","10.1107/S1600536809027962","","","0.71073","MoKα","","0.0884","0.0398","","","0.1079","0.1209","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222638","8.794","0.003","10.92","0.003","24.418","0.007","90","","90","","90","","2344.9","1.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C88 H112 N16 O24 -","8","1","CI2855","Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao","<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide","Acta Crystallographica Section E","2009","65","8","o1989","","10.1107/S1600536809027366","","","0.71073","MoKα","","0.0567","0.0498","","","0.1292","0.1326","","","","","","1.101","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222680","12.502","0.003","14.835","0.003","15.049","0.003","90","","90","","90","","2791.1","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua(triethanolamine)copper(II) sulfate monohydrate","","- C6 H21 Cu N O10 S -","- C6 H21 Cu N O10 S -","- C48 H168 Cu8 N8 O80 S8 -","8","1","FJ2232","Guo, Hong-Xu; Huang, Sen-Ke; Li, Xi-Zhong","Diaqua(triethanolamine)copper(II) sulfate monohydrate","Acta Crystallographica Section E","2009","65","8","m891","","10.1107/S1600536809026166","","","0.71073","MoKα","","0.034","0.0299","","","0.0862","0.0946","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222745","9.2067","0.0008","15.0504","0.0013","16.1599","0.0014","90","","90","","90","","2239.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ~3~-8-oxidoquinoline-5-sulfonato- κ^4^<i>N</i>,<i>O</i>^8^:<i>O</i>^5^:<i>O</i>^8^)nickel(II)]","","- C9 H9 N Ni O6 S -","- C9 H9 N Ni O6 S -","- C72 H72 N8 Ni8 O48 S8 -","8","1","HY2203","Wang, Ying; Wang, Li; Xu, Jianing; Zhu, Guangshan","Poly[diaqua(μ~3~-8-oxidoquinoline-5-sulfonato-κ^4^<i>N</i>,<i>O</i>^8^:<i>O</i>^5^:<i>O</i>^8^)nickel(II)]","Acta Crystallographica Section E","2009","65","8","m902","","10.1107/S1600536809026105","","","0.71073","MoKα","","0.0373","0.0314","","","0.0765","0.0793","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222762","11.1245","0.0007","10.9248","0.0006","28.9651","0.0016","90","","90","","90","","3520.2","0.4","296","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Cyclohexa-1,4-dienyl)-2-(4-methoxyphenyl)-<i>N</i>,<i>N</i>-\ dimethylethanaminium chloride","","- C17 H24 Cl N O -","- C17 H24 Cl N O -","- C136 H192 Cl8 N8 O8 -","8","1","IS2435","Lou, Wei-Jian; Hu, Xiu-Rong","2-(Cyclohexa-1,4-dienyl)-2-(4-methoxyphenyl)-<i>N</i>,<i>N</i>-dimethylethanaminium chloride","Acta Crystallographica Section E","2009","65","8","o1916","","10.1107/S1600536809027627","","","0.71075","MoKα","","","0.0599","","","","0.14","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222876","21.1917","0.0009","6.3897","0.0002","23.3751","0.0011","90","","90","","90","","3165.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-oxopentan-2-aminium 2-sulfamoylbenzoate","","- C13 H20 N2 O5 S -","- C13 H20 N2 O5 S -","- C104 H160 N16 O40 S8 -","8","1","SI2187","Rafique, Muhammad; Hussain, Ghulam; Siddiqui, Waseeq Ahmad; Tahir, M. Nawaz","2-Methyl-4-oxopentan-2-aminium 2-sulfamoylbenzoate","Acta Crystallographica Section E","2009","65","8","o1883","","10.1107/S1600536809027007","","","0.71073","MoKα","","0.0607","0.037","","","0.0935","0.1104","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222947","8.11491","0.00018","14.1987","0.0004","15.3551","0.0004","90","","90","","90","","1769.23","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4,7-Triazacyclononane hydrobromide","4,7-Diaza-1-azoniacyclononane bromide","","- C6 H16 Br N3 -","- C6 H16 Br N3 -","- C48 H128 Br8 N24 -","8","1","ZL2223","Allscher, Thorsten; Klüfers, Peter; Neumann, Christine","4,7-Diaza-1-azoniacyclononane bromide","Acta Crystallographica Section E","2009","65","8","o1734","","10.1107/S1600536809024313","","","0.71073","MoKα","","0.0374","0.018","","","0.0392","0.0408","","","","","","0.843","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222965","9.861","0.005","10.289","0.004","16.7","0.005","90","","90","","90","","1694.4","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-asparaginium perchlorate","DL-Asparaginium perchlorate","","- C4 H9 Cl N2 O7 -","- C4 H9 Cl N2 O7 -","- C32 H72 Cl8 N16 O56 -","8","1","AT2865","Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","<small>DL</small>-Asparaginium perchlorate","Acta Crystallographica Section E","2009","65","9","o2264","o2265","10.1107/S1600536809033534","","","0.71073","MoKα","","0.046","0.0336","","","0.09","0.0997","","","","","","1.117","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223003","7.5521","0.0009","11.2309","0.0014","28.278","0.003","90","","90","","90","","2398.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5-diphenyl-4<i>H</i>-1,2,4-triazol-4-amine","","- C14 H12 N4 -","- C14 H12 N4 -","- C112 H96 N32 -","8","1","BT5044","Zhang, Ya-Wen; Wang, Jian-Quan; Cheng, Lin","A second orthorhombic polymorph of 3,5-diphenyl-4<i>H</i>-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2009","65","9","o2261","","10.1107/S1600536809033807","","","0.71073","MoKα","","0.0805","0.0561","","","0.1446","0.1611","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223011","8.619","0.004","20.063","0.003","26.231","0.003","90","","90","","90","","4536","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[4-(Dimethylamino)benzylidene]acetohydrazide","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C176 H240 N48 O16 -","16","2","CI2860","Li, Wei-Wei; Yu, Tie-Ming; Yu, Wen-Bo; Lv, Lu-Ping; Hu, Xian-Chao","<i>N</i>'-[4-(Dimethylamino)benzylidene]acetohydrazide","Acta Crystallographica Section E","2009","65","9","o2197","","10.1107/S1600536809032619","","","0.71073","MoKα","","0.136","0.0809","","","0.2244","0.2598","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223020","11.947","0.002","7.555","0.001","29.452","0.002","90","","90","","90","","2658.3","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Hydroxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CI2875","Shi, Da-Hua","4-Hydroxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","9","o2107","","10.1107/S1600536809030621","","","0.71073","MoKα","","0.0609","0.0378","","","0.0905","0.1033","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223043","20.623","0.003","7.2168","0.0012","22.831","0.004","90","","90","","90","","3398","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,5,5-Tetramethyl-2-(3,4,5-trimethoxyphenyl)imidazolidine-1-oxyl 3-oxide","","- C16 H23 N2 O5 -","- C16 H23 N2 O5 -","- C128 H184 N16 O40 -","8","1","DN2472","Wang, Hai-Bo; Jing, Lin-Lin; Gao, Peng; Sun, Xiao-Li","4,4,5,5-Tetramethyl-2-(3,4,5-trimethoxyphenyl)imidazolidine-1-oxyl 3-oxide","Acta Crystallographica Section E","2009","65","9","o2090","","10.1107/S1600536809029274","","","0.71073","MoKα","","0.0939","0.0462","","","0.1106","0.1186","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223052","9.5547","0.0013","10.0657","0.0015","24.575","0.004","90","","90","","90","","2363.5","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methoxyphenyl)pivalamide","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","FL2254","Saeed, Aamer; Hussain, Shahid; Batool, Mahira; Flörke, Ulrich","<i>N</i>-(4-Methoxyphenyl)pivalamide","Acta Crystallographica Section E","2009","65","9","o2067","","10.1107/S1600536809029535","","","0.71073","MoKα","","0.0659","0.0477","","","0.1109","0.12","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223053","10.101","0.002","8.915","0.0018","20.009","0.004","90","","90","","90","","1801.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-(4-Chlorophenyl)-2-(hydroxyimino)acetamide","<i>N</i>-(4-Chlorophenyl)-2-(hydroxyimino)acetamide","","- C8 H7 Cl N2 O2 -","- C8 H7 Cl N2 O2 -","- C64 H56 Cl8 N16 O16 -","8","1","FL2255","Sun, Jie; Cai, Zaisheng","<i>N</i>-(4-Chlorophenyl)-2-(hydroxyimino)acetamide","Acta Crystallographica Section E","2009","65","9","o2249","","10.1107/S1600536809033315","","","0.71073","MoKα","","0.0644","0.0467","","","0.136","0.153","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223059","18.9097","0.0006","7.9737","0.0002","24.7877","0.0007","90","","90","","90","","3737.5","0.18","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-acetoxymethyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","","- C20 H19 N O6 S -","- C20 H19 N O6 S -","- C160 H152 N8 O48 S8 -","8","1","GK2226","Gunasekaran, B.; Sureshbabu, Radhakrishnan; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.","Ethyl 2-acetoxymethyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2009","65","9","o2069","","10.1107/S1600536809029985","","","0.71073","MoKα","","0.0923","0.051","","","0.1275","0.1528","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223076","15.8066","0.0016","16.875","0.003","21.297","0.003","90","","90","","90","","5680.7","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-[3-(dimethylamino)propyliminomethyl]-4,6-dihydroselenophenolato}zinc(II)","","- C24 H34 N4 O2 Se4 Zn -","- C24 H34 N4 O2 Se4 Zn -","- C192 H272 N32 O16 Se32 Zn8 -","8","1","HB5046","Yang, Jun; Yuan, Ji-Wen; Zha, Ru-Hua; Zeng, Qing-Fu","Bis{2-[3-(dimethylamino)propyliminomethyl]-4,6-dihydroselenophenolato}zinc(II)","Acta Crystallographica Section E","2009","65","9","m1090","","10.1107/S1600536809032061","","","0.71073","MoKα","","0.0733","0.0411","","","0.1022","0.1167","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223088","11.4884","0.0015","7.3445","0.001","30.718","0.004","90","","90","","90","","2591.9","0.6","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^2^-(2-Pyridyl)-<i>N</i>^6^-(4-pyridyl)pyridine-2,6-diamine","","- C15 H13 N5 -","- C15 H13 N5 -","- C120 H104 N40 -","8","1","HB5059","Wang, Zhi-Min; Shao, Bo","<i>N</i>^2^-(2-Pyridyl)-<i>N</i>^6^-(4-pyridyl)pyridine-2,6-diamine","Acta Crystallographica Section E","2009","65","9","o2273","","10.1107/S1600536809033480","","","0.71073","MoKα","","0.0761","0.0504","","","0.1512","0.1874","","","","","","0.824","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223110","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene‒4-aminobenzenesulfonic acid‒water (1/2/2)","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","HK2751","Shang, Shao-Ming; Ren, Chun-Xia; Wang, Xin; Lu, Lu-De; Yang, Xu-Jie","1,4-Bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene‒4-aminobenzenesulfonic acid‒water (1/2/2)","Acta Crystallographica Section E","2009","65","9","o2221","o2222","10.1107/S1600536809032504","","","0.71073","MoKα","","0.0592","0.0454","","","0.1271","0.1397","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223127","13.8691","0.0003","16.1993","0.0003","31.5514","0.0006","90","","90","","90","","7088.6","0.2","296","1","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)- 2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridophosphate acetonitrile monosolvate","","- C35 H30 Cl F6 N6 O2 P Ru -","- C35 H30 Cl F6 N6 O2 P Ru -","- C280 H240 Cl8 F48 N48 O16 P8 Ru8 -","8","1","IS2438","Oyama, Dai; Kido, Masato; Orita, Ai; Takase, Tsugiko","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridophosphate acetonitrile monosolvate","Acta Crystallographica Section E","2009","65","9","m1117","m1118","10.1107/S1600536809032589","","","0.71075","MoKα","","","0.0374","","","","0.111","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2223137","8.125","0.006","14.689","0.01","20.353","0.013","90","","90","","90","","2429","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-bis(bromomethyl)-4,5-dimethoxybenzene","1,2-Bis(bromomethyl)-4,5-dimethoxybenzene","","- C10 H12 Br2 O2 -","- C10 H12 Br2 O2 -","- C80 H96 Br16 O16 -","8","1","JH2086","Zhou, Feng-yan","1,2-Bis(bromomethyl)-4,5-dimethoxybenzene","Acta Crystallographica Section E","2009","65","9","o2064","","10.1107/S1600536809030001","","","0.71073","MoKα","","0.072","0.0395","","","0.0984","0.1169","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223161","7.767","0.001","16.248","0.002","18.733","0.002","90","","90","","90","","2364.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(5-Methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","","- C12 H12 O4 S -","- C12 H12 O4 S -","- C96 H96 O32 S8 -","8","1","NC2155","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(5-Methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2009","65","9","o2268","","10.1107/S1600536809033765","","","0.71073","MoKα","","0.135","0.0521","","","0.1127","0.1561","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223175","9.7332","0.0008","10.2462","0.0009","23.898","0.002","90","","90","","90","","2383.3","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-(4-chlorophenyl)acetamide","","- C8 H5 Br3 Cl N O -","- C8 H5 Br3 Cl N O -","- C64 H40 Br24 Cl8 N8 O8 -","8","1","PK2183","Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut","2,2,2-Tribromo-<i>N</i>-(4-chlorophenyl)acetamide","Acta Crystallographica Section E","2009","65","9","o2172","","10.1107/S1600536809032139","","","0.71073","MoKα","","0.1112","0.0797","","","0.1881","0.2053","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223184","9.423","0.0019","13.25","0.003","20.041","0.004","90","","90","","90","","2502.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Isopropyl-3-methyl-2-nitrobenzamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C88 H112 N16 O24 -","8","1","RK2153","Chen, Yu; Guo, Li-hua; Song, Wei; Zhang, Jing; Tian, Dan-bi","<i>N</i>-Isopropyl-3-methyl-2-nitrobenzamide","Acta Crystallographica Section E","2009","65","9","o2278","","10.1107/S1600536809031997","","","0.71073","MoKα","","0.1399","0.0664","","","0.14","0.174","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223205","9.7305","0.0001","11.3991","0.0002","29.6323","0.0004","90","","90","","90","","3286.78","0.08","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-(4-isobutylphenyl)propanamide","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C128 H160 N16 O24 S8 -","8","1","TK2517","Fun, Hoong-Kun; Goh, Jia Hao; Vinayaka, A. C.; Kalluraya, B.","<i>N</i>-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-(4-isobutylphenyl)propanamide","Acta Crystallographica Section E","2009","65","9","o2094","","10.1107/S160053680903027X","","","0.71073","MoKα","","0.088","0.064","","","0.131","0.143","","","","","","1.2","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223216","17.3418","0.0002","14.6488","0.0002","17.9584","0.0002","90","","90","","90","","4562.09","0.1","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,6,6-Tetrakis(biphenyl-2-yl)-4,4,8,8-tetramethylcyclotetrasiloxane","","- C52 H48 O4 Si4 -","- C52 H48 O4 Si4 -","- C208 H192 O16 Si16 -","4","0.5","VM2002","Couzijn, Erik P. A.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","2,2,6,6-Tetrakis(biphenyl-2-yl)-4,4,8,8-tetramethylcyclotetrasiloxane","Acta Crystallographica Section E","2009","65","9","o2182","o2183","10.1107/S1600536809031961","","","0.71073","MoKα","","0.0579","0.0356","","","0.0868","0.0966","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223227","12.9391","0.0005","10.3967","0.0004","14.2938","0.0006","90","","90","","90","","1922.86","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2-Amino-5-methylthiazol-4-yl)phenol","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C80 H80 N16 O8 S8 -","8","1","XU2563","He, Li-Min; Cao, Gao; Hu, Ai-Xi","2-(2-Amino-5-methylthiazol-4-yl)phenol","Acta Crystallographica Section E","2009","65","9","o2161","","10.1107/S160053680903164X","","","0.71073","MoKα","","0.0575","0.0535","","","0.1456","0.1499","","","","","","0.981","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223280","7.3928","0.0013","10.4467","0.0016","18.925","0.003","90","","90","","90","","1461.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pyridine-4-carboximidamidate chloride","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C48 H64 Cl8 N24 -","8","1","BH2242","Fan, Ping; Wang, Lei; Zhang, Huidong","Pyridine-4-carboximidamidate chloride","Acta Crystallographica Section E","2009","65","10","o2408","","10.1107/S160053680903517X","","","0.71073","MoKα","","0.0423","0.0329","","","0.0869","0.092","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223328","10.21","0.002","10.812","0.002","15.398","0.003","90","","90","","90","","1699.8","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Cyanoanilinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C56 H56 N24 O24 -","8","1","CI2892","Wang, Bo","3-Cyanoanilinium nitrate","Acta Crystallographica Section E","2009","65","10","o2395","","10.1107/S1600536809034886","","","0.71073","MoKα","","0.0684","0.0524","","","0.1331","0.1414","","","","","","1.144","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223341","7.267","0.0014","13.741","0.003","19.127","0.004","90","","90","","90","","1909.9","0.7","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(2-Nitroethenyl)naphthalene","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","CI2915","Jing, Lin-Hai","(<i>E</i>)-1-(2-Nitroethenyl)naphthalene","Acta Crystallographica Section E","2009","65","10","o2521","","10.1107/S1600536809037623","","","0.71073","MoKα","","0.0544","0.0482","","","0.0951","0.0989","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223366","7.892","0.002","16.374","0.005","18.334","0.006","90","","90","","90","","2369.2","1.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)acetohydrazide monohydrate","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C80 H112 N16 O32 -","8","1","FB2165","Lv, Lu-Ping; Yu, Wen-Bo; Tan, Ying; Zhang, Yong-Zhao; Hu, Xian-Chao","<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)acetohydrazide monohydrate","Acta Crystallographica Section E","2009","65","10","o2514","","10.1107/S1600536809037489","","","0.71073","MoKα","","0.0678","0.0411","","","0.1043","0.1149","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223369","17.0768","0.0019","7.7232","0.0011","17.678","0.002","90","","90","","90","","2331.5","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5,6-dimethoxy-1<i>H</i>-indole-2-carboxylate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","FJ2241","Monroe, Thomas Blake; Moazami, Yasamin; Jones, Daniel S.; Ogle, Craig A.","Methyl 5,6-dimethoxy-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section E","2009","65","10","o2353","","10.1107/S1600536809034667","","","1.54184","CuKα","","","0.0345","","","","0.1015","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223400","10.6433","0.0014","6.7762","0.0008","21.129","0.003","90","","90","","90","","1523.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(5-methylfuran-2-yl)methylidene]formohydrazide","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HB5099","Shafiq, Zahid; Yaqub, Muhammad; Tahir, M. Nawaz; Nawaz, Mian Hasnain; Iqbal, M. Saeed","<i>N</i>'-[(<i>E</i>)-(5-Methylfuran-2-yl)methylidene]formohydrazide","Acta Crystallographica Section E","2009","65","10","o2495","","10.1107/S1600536809037064","","","0.71073","MoKα","","0.144","0.0437","","","0.0811","0.1082","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223427","10.399","0.002","18.72","0.004","10.282","0.002","90","","90","","90","","2001.6","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trimethylanilinium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C72 H112 Br8 N8 -","8","1","HK2763","Cui, Li-Jing; Xu, Hai-Jun","2,4,6-Trimethylanilinium bromide","Acta Crystallographica Section E","2009","65","10","o2376","","10.1107/S1600536809034497","","","0.71073","MoKα","","0.0788","0.0501","","","0.1092","0.1217","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223428","9.4337","0.0003","10.6359","0.0004","18.6775","0.0006","90","","90","","90","","1874.02","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Ammonionaphthalene-2-sulfonate","1-Ammonionaphthalene-2-sulfonate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","1","HK2764","Mahmood, Ayyaz; Rashid, Ayoub; Arshad, Muhammad Nadeem; Sharif, Hafiz Muhammad Adeel; Khan, Islam Ullah","1-Ammonionaphthalene-2-sulfonate","Acta Crystallographica Section E","2009","65","10","o2505","","10.1107/S1600536809036538","","","0.71073","MoKα","","0.0565","0.0375","","","0.0953","0.1068","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223436","8.905","0.002","8.489","0.002","21.817","0.004","90","","90","","90","","1649.2","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","IM2133","Zhao, Min Min","4-Methoxyanilinium chloride","Acta Crystallographica Section E","2009","65","10","o2378","","10.1107/S1600536809035429","","","0.71073","MoKα","","0.0774","0.0624","","","0.1556","0.1647","","","","","","1.122","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223465","8.122","0.002","11.091","0.004","27.723","0.006","90","","90","","90","","2497.3","1.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromomethyl-7-methyl-6,8-dinitrocoumarin","","- C11 H7 Br N2 O6 -","- C11 H7 Br N2 O6 -","- C88 H56 Br8 N16 O48 -","8","1","LH2864","Gowda, Ramakrishna; Alawandi, Ganesh N.; Kulkarni, Manohar V.; Gowda, K. V. Arjuna","4-Bromomethyl-7-methyl-6,8-dinitrocoumarin","Acta Crystallographica Section E","2009","65","10","o2446","","10.1107/S160053680903596X","","","0.71069","MoKα","","0.054","0.0596","","0.1013","","0.1713","","","1.05","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223491","17.347","0.004","14.686","0.004","18.83","0.005","90","","90","","90","","4797","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato]- κ^3^<i>N</i>,<i>N</i>',<i>O</i>;κ^2^<i>N</i>,<i>N</i>'-copper(II)","","- C24 H18 Cu N4 O6 S2 -","- C24 H18 Cu N4 O6 S2 -","- C192 H144 Cu8 N32 O48 S16 -","8","1","NG2628","Yang, Ge-Ge; Ou-Yang, Miao; Meng, Xiu-Jin; Huang, Xue-Ren; Jiang, Yi-Min","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato]-κ^3^<i>N</i>,<i>N</i>',<i>O</i>;κ^2^<i>N</i>,<i>N</i>'-copper(II)","Acta Crystallographica Section E","2009","65","10","m1200","","10.1107/S1600536809035661","","","0.71073","MoKα","","0.1233","0.0524","","","0.0997","0.1305","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223510","11.9334","0.0008","9.3394","0.0006","20.5775","0.0014","90","","90","","90","","2293.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexaaquairon(II) bis[<i>fac</i>-tribromidotricarbonylferrate(II)]","","- C6 H12 Br6 Fe3 O12 -","- C6 H12 Br6 Fe3 O12 -","- C24 H48 Br24 Fe12 O48 -","4","0.5","OM2275","Becker, Eva; Kirchner, Karl; Mereiter, Kurt","Hexaaquairon(II) bis[<i>fac</i>-tribromidotricarbonylferrate(II)]","Acta Crystallographica Section E","2009","65","10","i71","","10.1107/S1600536809036198","","","0.71073","MoKα","","0.0493","0.034","","","0.0655","0.0701","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223522","8.9779","0.0018","8.6978","0.0017","22.132","0.004","90","","90","","90","","1728.2","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium bromide","","- C7 H10 Br N O -","- C7 H10 Br N O -","- C56 H80 Br8 N8 O8 -","8","1","PV2194","Fu, Xue-qun","4-Methoxyanilinium bromide","Acta Crystallographica Section E","2009","65","10","o2344","","10.1107/S160053680903503X","","","0.71073","MoKα","","0.076","0.0425","","","0.0894","0.1002","","","","","","1.123","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223540","11.255","0.006","11.713","0.008","23.653","0.015","90","","90","","90","","3118","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,1'-(hexane-1,6- diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C12 H18 Cl2 N4 Zn -","- C12 H18 Cl2 N4 Zn -","- C96 H144 Cl16 N32 Zn8 -","8","1","RZ2360","Bao, Wen-Li","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,1'-(hexane-1,6-diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2009","65","10","m1239","","10.1107/S1600536809037696","","","1.54184","CuKα","","0.0548","0.038","","","0.0955","0.1063","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223546","4.7411","0.0002","18.9447","0.0006","26.1417","0.001","90","","90","","90","","2348.01","0.15","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-[(3-Bromophenyl)iminomethyl]benzene-1,2-diol","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C104 H80 Br8 N8 O16 -","8","1","SI2198","Keleşoğlu, Zeynep; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","(<i>E</i>)-3-[(3-Bromophenyl)iminomethyl]benzene-1,2-diol: a combined X-ray and computational structural study","Acta Crystallographica Section E","2009","65","10","o2410","o2411","10.1107/S1600536809035053","","","0.71073","MoKα","","0.0471","0.0332","","","0.0727","0.0775","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223574","10.116","0.0004","10.0049","0.0005","13.0821","0.0005","90","","90","","90","","1324.03","0.1","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","disodium +/-tartrate","Disodium (2<i>RS</i>,3<i>SR</i>)-tartrate","","- C4 H4 Na2 O6 -","- C4 H4 Na2 O6 -","- C32 H32 Na16 O48 -","8","1","TK2539","Arbuckle, William; Cartner, Stuart; Kennedy, Alan R.; Morrison, Catriona A.","Disodium (2<i>RS</i>,3<i>SR</i>)-tartrate","Acta Crystallographica Section E","2009","65","10","m1232","","10.1107/S1600536809037155","","","0.71073","MoKα","","0.04","0.028","","","0.069","0.072","","","","","","1.05","","","","has coordinates,has Fobs","202022","2020-10-21","18:00:00",""
"2223585","14.601","0.001","11.03","0.002","20.006","0.002","90","","90","","90","","3221.9","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Dihydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","1","WN2345","Xu, Liang; Huang, Shan-Shan; Zhang, Bao-Jing; Wang, Shou-Yu; Zhang, Hou-Li","2,4-Dihydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","10","o2412","","10.1107/S1600536809035764","","","0.71073","MoKα","","0.0934","0.0482","","","0.1193","0.1482","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223602","9.035","0.004","15.188","0.006","18.556","0.007","90","","90","","90","","2546.3","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[silver(I)-μ-dipyrazin-2-ylamine] perchlorate monohydrate]","","- C8 H9 Ag Cl N5 O5 -","- C8 H9 Ag Cl N5 O5 -","- C64 H72 Ag8 Cl8 N40 O40 -","8","1","BG2275","Song, Wei Feng; Wan, Chong-Qing; Liu, Jianfeng","<i>catena</i>-Poly[[silver(I)-μ-dipyrazin-2-ylamine] perchlorate monohydrate]","Acta Crystallographica Section E","2009","65","11","m1339","","10.1107/S1600536809037532","","","0.71073","MoKα","","0.1197","0.068","","","0.1675","0.2215","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223622","12.0781","0.0003","8.965","0.0002","29.3755","0.0008","90","","90","","90","","3180.78","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-[4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C144 H168 N8 O24 -","8","1","BT5060","Thenmozhi, M.; Kavitha, T.; Reddy, B. Palakshi; Vijayakumar, V.; Ponnuswamy, M. N.","1,1'-[4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone","Acta Crystallographica Section E","2009","65","11","o2795","","10.1107/S1600536809041592","","","0.71073","MoKα","","0.0739","0.047","","","0.1241","0.1481","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223641","16.9716","0.0008","15.5992","0.0007","26.5497","0.0012","90","","90","","90","","7028.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine‒dichlorophenylborane","","- C39 H54 B Cl2 P -","- C39 H54 B Cl2 P -","- C312 H432 B8 Cl16 P8 -","8","1","BT5091","Braunschweig, Holger; Dewhurst, Rian D.; Radacki, Krzysztof; Wagner, Katharina","Dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine‒dichlorophenylborane","Acta Crystallographica Section E","2009","65","11","o2787","","10.1107/S1600536809041865","","","0.71073","MoKα","","0.0527","0.0357","","","0.0792","0.0881","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223648","10.5421","0.0006","11.1494","0.0006","19.8557","0.001","90","","90","","90","","2333.8","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-{1-[(2-Chlorothiazol-5-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4- yl}ethanone","","- C9 H9 Cl N4 O S -","- C9 H9 Cl N4 O S -","- C72 H72 Cl8 N32 O8 S8 -","8","1","BT5103","Chen, Xiao-Bao; Tian, Jia-Hua; Xu, Jing; Yu, Yong; Wang, Qun","1-{1-[(2-Chlorothiazol-5-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl}ethanone","Acta Crystallographica Section E","2009","65","11","o2840","","10.1107/S1600536809042937","","","0.71073","MoKα","","0.0512","0.0473","","","0.1249","0.1281","","","","","","1.148","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223679","7.5704","0.0016","11.331","0.002","17.227","0.004","90","","90","","90","","1477.7","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2-iminomethyl-5-methoxyphenolato)nickel(II)","","- C16 H16 N2 Ni O4 -","- C16 H16 N2 Ni O4 -","- C64 H64 N8 Ni4 O16 -","4","0.5","CI2923","Tang, Chunbao","Bis(2-iminomethyl-5-methoxyphenolato)nickel(II)","Acta Crystallographica Section E","2009","65","11","m1275","","10.1107/S1600536809039233","","","0.71073","MoKα","","0.0464","0.0276","","","0.0733","0.0834","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223694","11.9336","0.0005","9.7471","0.0004","22.584","0.0009","90","","90","","90","","2626.93","0.19","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","1","CI2943","Zou, Dong-Hui; Guan, Hong; Zhang, Xiao-Hua","2-Chloro-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","11","o2871","","10.1107/S1600536809043803","","","0.71073","MoKα","","0.0605","0.0384","","","0.0851","0.0979","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223735","8.0319","0.0003","16.6784","0.0006","37.3492","0.0013","90","","90","","90","","5003.3","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{μ-1,5-Bis[(<i>E</i>)-1-(2- pyridyl)ethylidene]carbonohydrazidato(1-)}bis[chloridomethanolcopper(II)] perchlorate","","- C17 H23 Cl3 Cu2 N6 O7 -","- C17 H23 Cl3 Cu2 N6 O7 -","- C136 H184 Cl24 Cu16 N48 O56 -","8","1","FI2081","Huang, Wei","{μ-1,5-Bis[(<i>E</i>)-1-(2-pyridyl)ethylidene]carbonohydrazidato(1{-})}bis[chloridomethanolcopper(II)] perchlorate","Acta Crystallographica Section E","2009","65","11","m1347","","10.1107/S1600536809040471","","","0.71073","MoKα","","0.0738","0.0481","","","0.1276","0.1417","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223747","17.685","0.004","11.613","0.002","20.568","0.004","90","","90","","90","","4224.2","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-[(4-Methoxybenzylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C200 H184 N24 O16 -","8","1","FL2271","Xu, Hai-Zhen; Xu, Jian-Ping; Zhang, Jin; Yuan, Yan-Wei; Zhu, You-Quan","(4<i>Z</i>)-4-[(4-Methoxybenzylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2009","65","11","o2740","","10.1107/S1600536809040458","","","0.71073","MoKα","","0.0647","0.0563","","","0.1302","0.1354","","","","","","1.117","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223822","12.278","0.003","7.8035","0.0016","19.466","0.004","90","","90","","90","","1865.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-benzylidenecarbazate","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C72 H80 N16 O16 -","8","1","HB5195","Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang","Methyl 3-benzylidenecarbazate","Acta Crystallographica Section E","2009","65","11","o2963","","10.1107/S1600536809045012","","","0.71073","MoKα","","0.0494","0.04","","","0.1365","0.1468","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223823","10.585","0.002","10.019","0.002","16.311","0.003","90","","90","","90","","1729.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(3-pyridylmethylene)carbazate","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","HB5196","Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang","Methyl 3-(3-pyridylmethylene)carbazate","Acta Crystallographica Section E","2009","65","11","o2959","","10.1107/S1600536809045024","","","0.71073","MoKα","","0.049","0.0464","","","0.1247","0.1275","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223831","12.1392","0.001","8.1386","0.0007","23.665","0.002","90","","90","","90","","2338","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Hydroxy-2,5-dimethylphenyl)phenylmethanone","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","HG2568","Moreno-Fuquen, Rodolfo; Valencia, Leidy J.; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, R. H.","(4-Hydroxy-2,5-dimethylphenyl)phenylmethanone","Acta Crystallographica Section E","2009","65","11","o2614","","10.1107/S1600536809039488","","","0.71073","MoKα","","0.0874","0.0322","","","0.0519","0.0576","","","","","","0.726","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223838","14.8486","0.0015","9.621","0.001","18.9438","0.0018","90","","90","","90","","2706.3","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2,6-Trimethyl-5-[2-(4-methylphenyl)ethynyl]-4<i>H</i>-1,3-dioxin-4-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","HG2577","Caracelli, Ignez; Zukerman-Schpector, Julio; Vieira, Adriano S.; Stefani, Hélio A.; Tiekink, Edward R. T.","2,2,6-Trimethyl-5-[2-(4-methylphenyl)ethynyl]-4<i>H</i>-1,3-dioxin-4-one","Acta Crystallographica Section E","2009","65","11","o2736","","10.1107/S1600536809041002","","","0.71073","MoKα","","0.065","0.038","","","0.082","0.096","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223854","12.3638","0.0006","8.9683","0.0005","15.8249","0.0008","90","","90","","90","","1754.7","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(1,3-Thiazolidin-2-yl)phenol","","- C9 H11 N O S -","- C9 H11 N O S -","- C72 H88 N8 O8 S8 -","8","1","IM2144","Yang, Xue-Mei","4-(1,3-Thiazolidin-2-yl)phenol","Acta Crystallographica Section E","2009","65","11","o2799","","10.1107/S1600536809042135","","","0.71073","MoKα","","0.0456","0.0367","","","0.0978","0.1046","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223879","14.5924","0.0013","13.4826","0.0012","17.006","0.0013","90","","90","","90","","3345.8","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methanoldinitrato[<i>N</i>-(2-pyridylmethylene)aniline]copper(II)","","- C13 H14 Cu N4 O7 -","- C13 H14 Cu N4 O7 -","- C104 H112 Cu8 N32 O56 -","8","1","JH2108","Kim, Young-Inn; Lee, Hong Woo; Kim, Ji-Hoon; Park, Sun Young; Kang, Sung Kwon","Methanoldinitrato[<i>N</i>-(2-pyridylmethylene)aniline]copper(II)","Acta Crystallographica Section E","2009","65","11","m1362","","10.1107/S1600536809041075","","","0.71073","MoKα","","","0.0383","","","","0.1012","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223897","11.9516","0.001","9.439","0.0008","25.418","0.002","90","","90","","90","","2867.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-{[4-(1,3-Benzothiazol-2-yl)phenyl](methyl)amino}acetic acid","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C128 H112 N16 O16 S8 -","8","1","LH2913","Zhang, Yong; Zhao, Bi-lin","2-{[4-(1,3-Benzothiazol-2-yl)phenyl](methyl)amino}acetic acid","Acta Crystallographica Section E","2009","65","11","o2762","","10.1107/S1600536809041452","","","0.71073","MoKα","","0.0956","0.059","","","0.1191","0.1338","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223932","13.1464","0.0011","13.5485","0.0012","22.0974","0.0019","90","","90","","90","","3935.9","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Anthryl)-1-(4-chlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1- yl)prop-2-en-1-one","","- C25 H16 Cl N3 O -","- C25 H16 Cl N3 O -","- C200 H128 Cl8 N24 O8 -","8","1","NG2650","Wang, Guang-Zhou; Shi, Yuan; Wan, Kun; Zhou, Cheng-He","(<i>E</i>)-3-(9-Anthryl)-1-(4-chlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2631","","10.1107/S1600536809038628","","","0.71073","MoKα","","0.0721","0.0651","","","0.1571","0.1624","","","","","","1.124","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223933","13.1115","0.0008","13.4737","0.0008","21.7019","0.0014","90","","90","","90","","3833.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Anthryl)-1-(4-fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1- yl)prop-2-en-1-one","","- C25 H16 F N3 O -","- C25 H16 F N3 O -","- C200 H128 F8 N24 O8 -","8","1","NG2652","Wang, Guang-Zhou; Su, Min; Zhou, Cheng-He","(<i>E</i>)-3-(9-Anthryl)-1-(4-fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2598","","10.1107/S1600536809039178","","","0.71073","MoKα","","0.075","0.0638","","","0.1449","0.1518","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223937","21.4958","0.001","12.4634","0.0006","23.3126","0.0011","90","","90","","90","","6245.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(3-Methylphenyl)(triphenylphosphonio)methanide- κ<i>C</i>](pentafluorophenyl-κ<i>C</i>)gold(I) diethyl ether solvate","","- C36 H33 Au F5 O P -","- C36 H33 Au F5 O P -","- C288 H264 Au8 F40 O8 P8 -","8","1","NG2660","Strasser, Christoph E.; Coetzee, Karolien; Cronje, Stephanie; Raubenheimer, Helgard G.","[(3-Methylphenyl)(triphenylphosphonio)methanide-κ<i>C</i>]triphenylphosphorane(pentafluorophenyl-κ<i>C</i>)gold(I) diethyl ether solvate","Acta Crystallographica Section E","2009","65","11","m1373","","10.1107/S160053680904152X","","","0.71073","MoKα","","0.0573","0.037","","","0.0737","0.0802","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223990","10.515","0.002","7.3736","0.0014","23.261","0.004","90","","90","","90","","1803.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-3-nitromethylindolin-2-one","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C72 H64 N16 O32 -","8","1","RZ2364","Tang, Ying; Chen, Gang; Zhang, Jie; Chen, Shijun","3-Hydroxy-3-nitromethylindolin-2-one","Acta Crystallographica Section E","2009","65","11","o2597","","10.1107/S1600536809039087","","","0.71073","MoKα","","0.0683","0.0452","","","0.1204","0.1347","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223991","12.808","0.002","9.719","0.002","21.882","0.001","90","","90","","90","","2723.9","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","RZ2366","Cao, Guo-Biao","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","11","o2650","","10.1107/S1600536809039725","","","0.71073","MoKα","","0.0507","0.0376","","","0.0936","0.1027","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223992","14.99","0.001","8.076","0.001","24.122","0.002","90","","90","","90","","2920.2","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","RZ2367","Cao, Guo-Biao","(<i>E</i>)-2-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","11","o2645","","10.1107/S1600536809039713","","","0.71073","MoKα","","0.1551","0.05","","","0.1057","0.149","","","","","","0.915","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224017","9.2582","0.0006","16.8837","0.001","23.9403","0.0014","90","","90","","90","","3742.2","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)benzamidine","","- C21 H19 Br N2 O2 -","- C21 H19 Br N2 O2 -","- C168 H152 Br8 N16 O16 -","8","1","SU2139","Pal, Amlan K.; Hanan, Garry S.","4-Bromo-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)benzamidine","Acta Crystallographica Section E","2009","65","11","o2777","","10.1107/S1600536809040112","","","1.54178","CuKα","","0.0295","0.029","","","0.0798","0.0802","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224089","13.3147","0.0005","11.8147","0.0004","20.3359","0.0006","90","","90","","90","","3199.02","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{(1-methylimidazol-2-ylmethyl)[2-(2-pyridyl)ethyl]amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II) bis(hexafluoridophosphate)","","- C24 H32 F12 N8 P2 Zn -","- C24 H32 F12 N8 P2 Zn -","- C96 H128 F48 N32 P8 Zn4 -","4","0.5","XU2647","Wu, Ai-Zhi; Ng, Seik Weng","Bis{(1-methylimidazol-2-ylmethyl)[2-(2-pyridyl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2009","65","11","m1479","","10.1107/S1600536809044419","","","0.71073","MoKα","","0.0726","0.0515","","","0.129","0.1473","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224106","13.0461","0.0016","9.7919","0.0012","19.374","0.002","90","","90","","90","","2475","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aqua[<i>N</i>-(2,5-dihydroxybenzyl)iminodiacetato]copper(II)","","- C11 H13 Cu N O7 -","- C11 H13 Cu N O7 -","- C88 H104 Cu8 N8 O56 -","8","1","ZS2013","Zhang, Xiu-Qing; Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Liang, Hong","Aqua[<i>N</i>-(2,5-dihydroxybenzyl)iminodiacetato]copper(II)","Acta Crystallographica Section E","2009","65","11","m1393","","10.1107/S1600536809042238","","","0.7107","MoKα","","0.0271","0.0247","","","0.068","0.0696","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224173","9.5979","0.0019","12.951","0.003","22.457","0.005","90","","90","","90","","2791.5","1.1","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone","","- C15 H12 Br Cl O2 -","- C15 H12 Br Cl O2 -","- C120 H96 Br8 Cl8 O16 -","8","1","CV2652","Shao, Hua; Zhao, Guilong; Liu, Wei; Wang, Yuli; Xu, Weiren","(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone","Acta Crystallographica Section E","2009","65","12","o3071","","10.1107/S1600536809047151","","","0.71073","MoKα","","0.0382","0.0319","","","0.0796","0.0825","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224201","11.8","0.003","9.114","0.004","19.041","0.007","90","","90","","90","","2047.8","1.3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Pyridylmethoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","FJ2252","Zhang, Zhi; Li, Yu-Jie; Gao, Xue-Mei","2-(4-Pyridylmethoxy)phenol","Acta Crystallographica Section E","2009","65","12","o3160","","10.1107/S1600536809047205","","","0.71073","MoKα","","0.103","0.0586","","","0.1268","0.145","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224209","16.662","0.003","19.27","0.004","22.094","0.004","90","","90","","90","","7094","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-1-[(1-phenylethyl)sulfonylmethylsulfonyl]ethane","","- C17 H20 O4 S2 -","- C17 H20 O4 S2 -","- C272 H320 O64 S32 -","16","2","FL2264","Zhang, Bing-zhu; Chen, Xiang-min; Kang, Huai-ping; Sun, Feng-xia; Wang, Yan-ji; Liu, Jing-tao; Wang, De-bin","1-Phenyl-1-[(1-phenylethyl)sulfonylmethylsulfonyl]ethane","Acta Crystallographica Section E","2009","65","12","o3198","","10.1107/S1600536809049423","","","0.71073","MoKα","","0.0736","0.0579","","","0.1446","0.155","","","","","","1.106","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224210","8.341","0.001","9.567","0.001","27.066","0.001","90","","90","","90","","2159.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","HEPES","2-[4-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","FL2269","Sledz, Pawel; Minor, Thomas; Chruszcz, Maksymilian","Redetermination of 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate at 100 K","Acta Crystallographica Section E","2009","65","12","o3027","o3028","10.1107/S1600536809042512","","","0.7107","MoKα","","0.0377","0.0313","","","0.0926","0.0987","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224218","11.9767","0.0004","9.7187","0.0003","29.3476","0.0007","90","","90","","90","","3416","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Di-<i>tert</i>-butyl 2,2'-[(2-hydroxyethyl)azanediyl]diacetate","","- C14 H27 N O5 -","- C14 H27 N O5 -","- C112 H216 N8 O40 -","8","1","GK2237","Yang, Yang; Zhu, Lin; Zhang, Huabei","Di-<i>tert</i>-butyl 2,2'-[(2-hydroxyethyl)azanediyl]diacetate","Acta Crystallographica Section E","2009","65","12","o3167","","10.1107/S1600536809049022","","","0.71073","MoKα","","0.0776","0.0455","","","0.1108","0.1282","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224224","9.092","0.003","13.416","0.002","30.149","0.004","90","","90","","90","","3677.5","1.4","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-5-nitropyridinium hydrogen selenate","","- C5 H7 N3 O6 Se -","- C5 H7 N3 O6 Se -","- C80 H112 N48 O96 Se16 -","16","2","HB5132","Akriche, Samah; Rzaigui, Mohamed","2-Amino-5-nitropyridinium hydrogen selenate","Acta Crystallographica Section E","2009","65","12","o3009","o3010","10.1107/S1600536809042354","","","0.71073","Mokα","","0.1029","0.0428","","","0.0847","0.1014","","","","","","0.968","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224295","17.7426","0.0019","19.874","0.002","20.493","0.002","90","","90","","90","","7226.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tri-μ-ethanethiolato-bis{[η^5^-1,2,3,4-tetramethyl-5- (trimethylsilyl)cyclopentadienyl]iron(II,III)}(<i>Fe^II^</i>‒<i>Fe^III^</i>)","","- C30 H57 Fe2 S3 Si2 -","- C30 H57 Fe2 S3 Si2 -","- C240 H456 Fe16 S24 Si16 -","8","1","HY2242","Li, Jing","Tri-μ-ethanethiolato-bis{[η^5^-1,2,3,4-tetramethyl-5-(trimethylsilyl)cyclopentadienyl]iron(II,III)}(<i>Fe^II^</i>‒<i>Fe^III^</i>)","Acta Crystallographica Section E","2009","65","12","m1542","","10.1107/S1600536809045735","","","0.71073","MoKα","","0.0519","0.0335","","","0.0861","0.0951","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224350","7.4511","0.0006","11.0541","0.0008","31.031","0.003","90","","90","","90","","2555.9","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C128 H104 F8 O16 -","8","1","LH2941","Guo, Huan-Mei","3-(2-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","12","o3013","","10.1107/S1600536809045759","","","0.71073","MoKα","","0.0653","0.0416","","","0.1037","0.1169","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224376","14.65","0.003","12.019","0.001","15.634","0.003","90","","90","","90","","2752.8","0.8","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C112 H120 N8 O16 S8 -","8","1","NG2688","Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","4-Methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2009","65","12","o3184","","10.1107/S1600536809049411","","","1.5418","CuKα","","0.0596","0.0436","","","0.1232","0.1339","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224425","14.562","0.003","8.1252","0.0016","16.211","0.003","90","","90","","90","","1918.1","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","","- C10 H9 N3 S -","- C10 H9 N3 S -","- C80 H72 N24 S8 -","8","1","RZ2391","Zeng, Xiu-Xiu; Ye, Ting-Hong; Lun, Dong-Wen; Yu, Luo-Ting; Yang, Li","3-Amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","Acta Crystallographica Section E","2009","65","12","o3138","","10.1107/S1600536809048132","","","0.71073","MoKα","","0.041","0.0367","","","0.0976","0.1011","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224444","15.6489","0.0002","20.9223","0.0003","31.3447","0.0005","90","","90","","90","","10262.6","0.3","100","0.1","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-tricyclohexylphosphine- 3κ<i>P</i>-<i>triangulo</i>-triruthenium(0)","","- C52 H55 As2 O9 P Ru3 -","- C52 H55 As2 O9 P Ru3 -","- C416 H440 As16 O72 P8 Ru24 -","8","1","SJ2677","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-tricyclohexylphosphine-3κ<i>P</i>-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2009","65","12","m1626","m1627","10.1107/S1600536809047977","","","0.71073","MoKα","","0.0795","0.0455","","","0.087","0.0986","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224463","15.0306","0.0002","8.5783","0.0001","16.9274","0.0002","90","","90","","90","","2182.57","0.05","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(4,6-dimethylpyrimidine-2-thiolato- κ^2^<i>N</i>,<i>S</i>)bis(thiourea-κ<i>S</i>)nickel(II)","","- C14 H22 N8 Ni S4 -","- C14 H22 N8 Ni S4 -","- C56 H88 N32 Ni4 S16 -","4","0.5","TK2572","Zhu, Jing; Wang, Jian-Gang; Duan, Taike; Zhang, Qian-Feng","<i>trans</i>-Bis(4,6-dimethylpyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)bis(thiourea-κ<i>S</i>)nickel(II)","Acta Crystallographica Section E","2009","65","12","m1697","","10.1107/S1600536809050223","","","0.71073","MoKα","","0.078","0.04","","","0.086","0.101","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224467","13.1618","0.0002","14.6993","0.0002","22.8406","0.0003","90","","90","","90","","4418.95","0.11","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,5-Dichlorophenyl)maleamic acid","","- C10 H7 Cl2 N O3 -","- C10 H7 Cl2 N O3 -","- C160 H112 Cl32 N16 O48 -","16","2","TK2578","Shakuntala, K.; Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef","<i>N</i>-(2,5-Dichlorophenyl)maleamic acid","Acta Crystallographica Section E","2009","65","12","o3119","","10.1107/S1600536809048715","","","0.71073","MoKα","","0.035","0.028","","","0.077","0.079","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224501","15.9978","0.001","14.5647","0.0009","16.5889","0.001","90","","90","","90","","3865.3","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-(3-thienyl)malonato- κ^2^<i>O</i>,<i>O</i>']zinc(II) dihydrate","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C136 H144 N16 O56 S8 Zn8 -","8","1","XU2654","Meng, Cai-Xia; Zheng, Xue-Gang; Fu, Feng; Zhang, Xiao-Ning; Zhang, Peng","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-(3-thienyl)malonato-κ^2^<i>O</i>,<i>O</i>']zinc(II) dihydrate","Acta Crystallographica Section E","2009","65","12","m1604","m1605","10.1107/S1600536809047448","","","0.71073","MoKα","","0.0671","0.0349","","","0.0814","0.0938","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224518","10.5622","0.0003","19.676","0.0007","20.298","0.0007","90","","90","","90","","4218.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(4-hydroxypyridinium) hydrogen sulfate‒sulfate monohydrate","","- C15 H21 N3 O12 S2 -","- C15 H21 N3 O12 S2 -","- C120 H168 N24 O96 S16 -","8","1","XU2676","Xu, Ying-Ming; Gao, Shan; Ng, Seik Weng","Tris(4-hydroxypyridinium) hydrogen sulfate‒sulfate monohydrate","Acta Crystallographica Section E","2009","65","12","o3147","","10.1107/S1600536809048545","","","0.71073","MoKα","","0.0771","0.045","","","0.1136","0.1332","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224535","6.3953","0.0009","12.2472","0.0018","13.6613","0.0019","90","","90","","90","","1070","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-methylpyrazine 1,4-dioxide","2-Methylpyrazine 1,4-dioxide","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","1","ZL2250","Gratton, Jessica L.; Knaust, Jacqueline M.","2-Methylpyrazine 1,4-dioxide","Acta Crystallographica Section E","2009","65","12","o3040","","10.1107/S1600536809046534","","","0.71073","MoKα","","0.0584","0.0458","","","0.1137","0.1215","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224553","11.452","0.002","11.41","0.002","34.867","0.007","90","","90","","90","","4556","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium chloride 0.25-hydrate","","- C11 H13.5 Cl N2 O0.25 -","- C11 H13.5 Cl N2 O0.25 -","- C176 H216 Cl16 N32 O4 -","16","2","BQ2176","Ji, Xiujie; Cheng, Bowen; Song, Jun; Liu, Chao","1-Benzyl-3-methylimidazolium chloride 0.25-hydrate","Acta Crystallographica Section E","2010","66","1","o218","","10.1107/S1600536809053306","","","0.71073","MoKα","","0.0477","0.0424","","","0.1153","0.1194","","","","","","1.084","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2224583","9.7171","0.0004","8.2834","0.0005","27.4857","0.0016","90","","90","","90","","2212.3","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3,4-Dichlorophenyl)-3-oxobutanamide","","- C10 H9 Cl2 N O2 -","- C10 H9 Cl2 N O2 -","- C80 H72 Cl16 N8 O16 -","8","1","CI2974","Jotani, Mukesh M.; Jasinski, Jerry P.; Baldaniya, Bharat B.; Butcher, Ray J.","<i>N</i>-(3,4-Dichlorophenyl)-3-oxobutanamide","Acta Crystallographica Section E","2010","66","1","o58","o59","10.1107/S1600536809051307","","","0.71073","MoKα","","0.1224","0.0476","","","0.107","0.123","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224669","11.4248","0.0003","8.9155","0.0002","27.628","0.0008","90","","90","","90","","2814.13","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(6-Benzoyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid","","- C16 H11 N O4 S -","- C16 H11 N O4 S -","- C128 H88 N8 O32 S8 -","8","1","HG2616","Aydın, Abdullah; Akkurt, Mehmet; Önkol, Tijen; Büyükgüngör, Orhan; Şahin, M. Fethi","2-(6-Benzoyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid","Acta Crystallographica Section E","2010","66","1","o168","","10.1107/S160053680905329X","","","0.71073","MoKα","","0.05","0.0331","","","0.0786","0.0837","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224730","14.7502","0.0006","13.4881","0.0004","15.9624","0.0007","90","","90","","90","","3175.8","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diiodide","","- C6 H24 I2 N6 Ni -","- C6 H24 I2 N6 Ni -","- C48 H192 I16 N48 Ni8 -","8","1","PB2013","Brewer, Greg; Butcher, Ray J.; Jasinski, Jerry P.","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diiodide","Acta Crystallographica Section E","2010","66","1","m103","m104","10.1107/S1600536809054580","","","0.71073","MoKα","","0.0793","0.034","","","0.0761","0.0909","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224784","11.3164","0.0003","9.5029","0.0005","12.3877","0.0005","90","","90","","90","","1332.16","0.1","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Amino-1-methylpyrazin-1-ium chloride","","- C5 H8 Cl N3 -","- C5 H8 Cl N3 -","- C40 H64 Cl8 N24 -","8","1","TK2586","Foucher, Daniel; Wylie, Stephen; Acosta, Joshua; Lough, Alan J.","3-Amino-1-methylpyrazin-1-ium chloride","Acta Crystallographica Section E","2010","66","1","o61","","10.1107/S1600536809051265","","","0.71073","MoKα","","0.063","0.04","","","0.097","0.111","","","","","","1.1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224869","10.961","0.0009","16.8078","0.0013","21.3118","0.0017","90","","90","","90","","3926.3","0.5","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Methyl-5-phenyl-1-(3-phenylisoquinolin-1-yl)-1<i>H</i>-pyrazole","","- C25 H19 N3 -","- C25 H19 N3 -","- C200 H152 N24 -","8","1","BT5159","Khan, F. Nawaz; Manivel, P.; Kone, Sriramakrishnaswamy; Hathwar, Venkatesha R.; Ng, Seik Weng","3-Methyl-5-phenyl-1-(3-phenylisoquinolin-1-yl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2010","66","2","o368","","10.1107/S160053680905572X","","","0.71073","MoKα","","0.1062","0.0586","","","0.1391","0.1721","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224955","13.7374","0.0013","14.7647","0.0011","19.2829","0.0012","90","","90","","90","","3911.1","0.5","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-7-<i>tert</i>- Butyldimethylsilyloxy-4,10-dimethyltetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan- 2-one","","- C20 H34 O2 Si -","- C20 H34 O2 Si -","- C160 H272 O16 Si8 -","8","1","FK2011","Weyermann, Philipp; Keese, Reinhart; Stoeckli-Evans, Helen","<i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-7-<i>tert</i>-Butyldimethylsilyloxy-4,10-dimethyltetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one","Acta Crystallographica Section E","2010","66","2","o340","","10.1107/S1600536810000887","","","0.71073","MoKα","","0.074","0.0481","","","0.1031","0.1158","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224958","9.1807","0.0001","14.5693","0.0002","15.7576","0.0002","90","","90","","90","","2107.68","0.05","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>trans</i>-1-Phenylpyrrolidine-2,5-dicarbonitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C96 H88 N24 -","8","1","FL2285","Han, Wei; Ofial, Armin R.; Mayer, Peter","<i>trans</i>-1-Phenylpyrrolidine-2,5-dicarbonitrile","Acta Crystallographica Section E","2010","66","2","o379","","10.1107/S1600536810001479","","","0.71073","MoKα","","0.0452","0.0391","","","0.1026","0.107","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224974","6.9291","0.0009","11.7602","0.001","30.958","0.004","90","","90","","90","","2522.7","0.5","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-{[(<i>E</i>)-2-(4-Iodophenyl)hydrazinylidene]methyl}thiophene-2-carbaldehyde","","- C12 H9 I N2 O S -","- C12 H9 I N2 O S -","- C96 H72 I8 N16 O8 S8 -","8","1","HB5284","Wardell, Solange M. S. V.; de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.","5-{[(<i>E</i>)-2-(4-Iodophenyl)hydrazinylidene]methyl}thiophene-2-carbaldehyde","Acta Crystallographica Section E","2010","66","2","o271","o272","10.1107/S1600536809055172","","","0.71073","MoKα","","0.107","0.058","","","0.097","0.113","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225029","12.7035","0.0004","10.3897","0.0003","17.0899","0.0006","90","","90","","90","","2255.62","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C104 H80 Br8 N8 O8 -","8","1","IS2508","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]phenol","Acta Crystallographica Section E","2010","66","2","o316","","10.1107/S160053680905538X","","","0.71073","MoKα","","0.0715","0.0348","","","0.0742","0.0862","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225103","14.6463","0.0013","11.8634","0.001","23.604","0.002","90","","90","","90","","4101.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,8-Di-<i>tert</i>-butyl-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C184 H200 N8 O32 -","8","1","RZ2409","Zhou, XiaoFeng","6,8-Di-<i>tert</i>-butyl-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2010","66","2","o478","","10.1107/S1600536810002321","","","0.71073","MoKα","","0.0903","0.0463","","","0.1139","0.1395","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225121","8.2531","0.0001","13.0278","0.0002","22.3655","0.0004","90","","90","","90","","2404.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Dithiodianiline","2,2'-(disulfanediyl)dianiline","","- C12 H12 N2 S2 -","- C12 H12 N2 S2 -","- C96 H96 N16 S16 -","8","1","TK2598","Goh, Jia Hao; Fun, Hoong-Kun; Babu, M.; Kalluraya, B.","2,2'-Dithiodianiline: a redetermination at 100K","Acta Crystallographica Section E","2010","66","2","o292","o293","10.1107/S1600536810000024","","","0.71073","MoKα","","0.056","0.048","","","0.117","0.124","","","","","","1.19","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225151","8.605","0.003","11.659","0.003","31.347","0.009","90","","90","","90","","3144.9","1.6","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 2-methyl-2-(4-methylbenzoyl)propanoate","","- C16 H22 O3 -","- C16 H22 O3 -","- C128 H176 O24 -","8","1","ZL2266","Gould, Graham B.; Jackman, Brock G.; Logue, Marshall W.; Luck, Rudy L.; Pignotti, Louis R.; Smith, Adrian R.; White, Nicholas M.","<i>tert</i>-Butyl 2-methyl-2-(4-methylbenzoyl)propanoate","Acta Crystallographica Section E","2010","66","2","o491","o492","10.1107/S1600536810003144","","","0.71073","MoKα","","0.143","0.049","","","","0.134","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225201","18.07","0.004","11.76","0.003","18.221","0.003","90","","90","","90","","3872","1.5","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1'-[1,3-Phenylenebis(methylene)]bis(3-<i>tert</i>-butylurea)","3,3'-Di-<i>tert</i>-butyl-1,1'-[1,3-phenylenebis(methylene)]diurea","","- C18 H30 N4 O2 -","- C18 H30 N4 O2 -","- C144 H240 N32 O16 -","8","1","CI5033","Saeed, Musabbir A.; Fronczek, Frank R.; Hossain, Md. Alamgir","3,3'-Di-<i>tert</i>-butyl-1,1'-[1,3-phenylenebis(methylene)]diurea","Acta Crystallographica Section E","2010","66","3","o656","o657","10.1107/S1600536810005866","","","0.71073","MoKα","","0.15","0.081","","","0.202","0.235","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225217","9.8623","0.0005","8.0576","0.0004","20.9268","0.0009","90","","90","","90","","1662.98","0.14","296","2","296","2","101","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(cyanomethyl)benzamide","<i>N</i>-(Cyanomethyl)benzamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C72 H64 N16 O8 -","8","1","DN2533","Aouine, Younas; Alami, Anouar; El Hallaoui, Abdelilah; Elachqar, Abdelrhani; Zouihri, Hafid","<i>N</i>-(Cyanomethyl)benzamide","Acta Crystallographica Section E","2010","66","3","o530","","10.1107/S1600536810003557","","","0.71073","MoKα","","0.0552","0.0379","","","0.0972","0.1091","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225326","16.6","0.003","11.947","0.002","26.257","0.005","90","","90","","90","","5207.3","1.6","89","2","89","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(5-Ammoniopentyl)triphenylphosphonium dibromide ethanol solvate","","- C25 H34 Br2 N O P -","- C25 H34 Br2 N O P -","- C200 H272 Br16 N8 O8 P8 -","8","1","NC2175","Evans, Cameron","(5-Ammoniopentyl)triphenylphosphonium dibromide ethanol solvate","Acta Crystallographica Section E","2010","66","3","o502","o503","10.1107/S1600536810003193","","","0.71073","MoKα","","0.035","0.0241","","","0.0519","0.0562","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225344","14.3179","0.0006","15.5045","0.0007","16.9664","0.0008","90","","90","","90","","3766.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate","","- C18 H17 Cl2 N O4 -","- C18 H17 Cl2 N O4 -","- C144 H136 Cl16 N8 O32 -","8","1","PK2222","Luo, Jing; Chen, Hui; Wang, Qiao-Feng; Liu, Hai-Jing","3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2010","66","3","o538","","10.1107/S1600536810003235","","","0.71073","MoKα","","0.119","0.0555","","","0.1234","0.1531","","","","","","0.998","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225417","10.5904","0.0003","16.9189","0.0005","30.5713","0.001","90","","90","","90","","5477.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,6-Trimethyl-1-(3-methylphenyl)-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C14 H18 N2 S -","- C14 H18 N2 S -","- C224 H288 N32 S16 -","16","2","ZS2028","Saeed, Aamer; Khera, Rasheed Ahmad; Parvez, Masood","4,4,6-Trimethyl-1-(3-methylphenyl)-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2010","66","3","o635","","10.1107/S1600536810004708","","","0.71073","MoKα","","0.09","0.049","","","0.096","0.115","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225454","14.719","0.003","9.1302","0.0016","20.597","0.004","90","","90","","90","","2768","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Allyl-2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolate","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","CI5052","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Allyl-2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolate","Acta Crystallographica Section E","2010","66","4","o934","o935","10.1107/S160053681000838X","","","0.71073","MoKα","","0.0863","0.0522","","","0.1233","0.1413","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225467","10.0308","0.0008","11.181","0.0009","19.036","0.002","90","","90","","90","","2135","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)succinamic acid","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C80 H80 Cl8 N8 O24 -","8","1","BT5210","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut","<i>N</i>-(3-Chlorophenyl)succinamic acid","Acta Crystallographica Section E","2010","66","4","o842","","10.1107/S1600536810008949","","","0.71073","MoKα","","0.1327","0.058","","","0.1227","0.1524","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225503","15.587","0.003","7.6042","0.0012","27.773","0.004","90","","90","","90","","3291.8","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(6-Ferrocenylhexyl)-1<i>H</i>-imidazole","","- C19 H24 Fe N2 -","- C19 H24 Fe N2 -","- C152 H192 Fe8 N16 -","8","1","DN2540","Nyamori, Vincent O.; Bala, Muhammad D.; Levendis, Demetrius C.","1-(6-Ferrocenylhexyl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2010","66","4","m412","","10.1107/S1600536810007737","","","0.71073","MoKα","","0.0802","0.0421","","","0.0903","0.101","","","","","","0.978","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225524","19.3312","0.001","15.1116","0.0007","19.811","0.001","90","","90","","90","","5787.3","0.5","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-phenylthiocarbamato- κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I)","","- C28 H45 Au N O P S -","- C28 H45 Au N O P S -","- C224 H360 Au8 N8 O8 P8 S8 -","8","1","EZ2204","Tadbuppa, Primjira P.; Tiekink, Edward R. T.","[(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-phenylthiocarbamato-κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section E","2010","66","4","m429","","10.1107/S1600536810009906","","","0.71069","MoKα","","0.029","0.021","","","0.048","0.05","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225562","9.646","0.0009","9.0192","0.0004","19.3281","0.0005","90","","90","","90","","1681.53","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)ethanimidamide","","- C8 H9 Cl N2 -","- C8 H9 Cl N2 -","- C64 H72 Cl8 N16 -","8","1","HG2664","Boechat, Nubia; Kover, Warner B.; Ferreira, Sabrina B.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","<i>N</i>-(4-Chlorophenyl)ethanimidamide","Acta Crystallographica Section E","2010","66","4","o958","","10.1107/S1600536810011013","","","0.71073","MoKα","","0.096","0.047","","","0.114","0.15","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225590","8.3042","0.0002","15.5101","0.0004","24.0192","0.0006","90","","90","","90","","3093.65","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methoxy-9-phenoxyacridine","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","NG2741","Trzybiński, Damian; Zadykowicz, Beata; Krzymiński, Karol; Sikorski, Artur; Błażejowski, Jerzy","2-Methoxy-9-phenoxyacridine","Acta Crystallographica Section E","2010","66","4","o828","o829","10.1107/S1600536810008962","","","0.71073","MoKα","","0.0353","0.0294","","","0.083","0.0856","","","","","","1.104","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225591","11.0731","0.0003","8.6571","0.0002","25.3436","0.0007","90","","90","","90","","2429.46","0.11","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1<i>H</i>-Benzotriazol-1-yl)-1-phenylethanol","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","IM2186","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","2-(1<i>H</i>-Benzotriazol-1-yl)-1-phenylethanol","Acta Crystallographica Section E","2010","66","4","o959","","10.1107/S1600536810011098","","","0.71073","MoKα","","0.0516","0.0446","","","0.0998","0.1047","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225605","14.1248","0.0006","10.4126","0.0005","19.7639","0.001","90","","90","","90","","2906.8","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-Ethyl-4-methyl-<i>N</i>-phenylbenzenesulfonamide","<i>N</i>-Ethyl-<i>N</i>-phenyl-<i>p</i>-toluenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","NG2749","Khan, Islam Ullah; Haider, Zeeshan; Arshad, Muhammad Nadeem; Ali, Sharafat","<i>N</i>-Ethyl-<i>N</i>-phenyl-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section E","2010","66","4","o979","","10.1107/S1600536810011219","","","0.71073","MoKα","","0.1166","0.0497","","","0.1236","0.1574","","","","","","1","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2225621","14.725","0.004","14.464","0.004","15.474","0.003","90","","90","","90","","3295.7","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,6,7,8-Tetrahydroquinoline 1-oxide hemihydrate","","- C9 H12 N O1.5 -","- C9 H12 N O1.5 -","- C144 H192 N16 O24 -","16","2","JJ2025","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Urbańczyk-Lipkowska, Zofia; Kalicki, Przemysław","5,6,7,8-Tetrahydroquinoline 1-oxide hemihydrate","Acta Crystallographica Section E","2010","66","4","o806","o807","10.1107/S1600536810008779","","","1.54178","CuKα","","0.0807","0.0512","","","0.1591","0.2048","","","","","","1.388","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2225662","10.1017","0.0004","8.3889","0.0008","29.127","0.002","90","","90","","90","","2468.3","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluorophenyl)-4-(4-pyridyl)-1,3-oxazol-2-amine","","- C14 H10 F N3 O -","- C14 H10 F N3 O -","- C112 H80 F8 N24 O8 -","8","1","NC2179","Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","5-(4-Fluorophenyl)-4-(4-pyridyl)-1,3-oxazol-2-amine","Acta Crystallographica Section E","2010","66","4","o917","","10.1107/S1600536810009189","","","1.54178","CuKα","","0.0568","0.043","","","0.1097","0.1186","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225682","18.104","0.006","8.612","0.003","18.985","0.006","90","","90","","90","","2960","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-[Bis(4-fluorophenyl)methylene]aniline","","- C19 H13 F2 N -","- C19 H13 F2 N -","- C152 H104 F16 N8 -","8","1","RZ2421","Zhang, Mei-Lin; Yang, Jie","<i>N</i>-[Bis(4-fluorophenyl)methylene]aniline","Acta Crystallographica Section E","2010","66","4","o727","","10.1107/S1600536810007099","","","0.71073","MoKα","","0.0477","0.0354","","","0.1024","0.1154","","","","","","0.982","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225694","12.1605","0.0014","12.6338","0.0015","19.87","0.002","90","","90","","90","","3052.7","0.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(1,4,7,10-Tetraoxacyclododecane)(trideuteroacetonitrile)lithium perchlorate","","- C10 H16 Cl D3 Li N O8 -","- C10 H19 Cl Li N O8 -","- C80 H152 Cl8 Li8 N8 O64 -","8","1","SI2247","Guzei, Ilia A.; Spencer, Lara C.; Xiao, Lingyun; Burnette, Ronald R.","(1,4,7,10-Tetraoxacyclododecane)(trideuteroacetonitrile)lithium perchlorate","Acta Crystallographica Section E","2010","66","4","m440","m441","10.1107/S1600536810009530","","","0.71073","MoKα","","0.0859","0.0726","","","0.1963","0.2143","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225696","9.0698","0.0013","15.778","0.002","24.889","0.004","90","","90","","90","","3561.7","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[3-(4-nitrobenzoyl)thioureido]benzoate","","- C17 H15 N3 O5 S -","- C17 H15 N3 O5 S -","- C136 H120 N24 O40 S8 -","8","1","SI2248","Saeed, Sohail; Rashid, Naghmana; Wong, Wing-Tak","Ethyl 2-[3-(4-nitrobenzoyl)thioureido]benzoate","Acta Crystallographica Section E","2010","66","4","o980","","10.1107/S1600536810011116","","","0.71073","MoKα","","0.0884","0.0593","","","0.154","0.1705","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225707","15.756","0.002","11.2475","0.0014","19.779","0.003","90","","90","","90","","3505.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-4-dibenzylamino-5-methoxyfuran-2(5<i>H</i>)-one","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C152 H144 Br8 N8 O24 -","8","1","XU2724","Fu, Jian-Hua; Li, Zhao-Yang; Wang, Zhao-Yang; Ye, Rui-Rong","3-Bromo-4-dibenzylamino-5-methoxyfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2010","66","4","o769","","10.1107/S1600536810008007","","","0.71073","MoKα","","0.0844","0.0355","","","0.0713","0.0893","","","","","","0.996","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225727","27.746","0.012","14.035","0.005","7.357","0.003","90","","90","","90","","2865","2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C120 H152 N8 O32 -","8","1","SJ2755","Gainsford, Graeme J.; Mason, Jennifer M.","Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate","Acta Crystallographica Section E","2010","66","4","o957","","10.1107/S1600536810010834","","","0.71073","MoKα","","0.2314","0.0493","","","0.0776","0.1384","","","","","","1.104","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225744","14.7245","0.0013","11.196","0.001","18.406","0.0016","90","","90","","90","","3034.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2-Hydroxy-6-[(2-oxidophenyl)iminomethyl-κ^2^<i>N</i>,<i>O</i>]phenolato- κ<i>O</i>^1^}phenylboron","","- C19 H14 B N O3 -","- C19 H14 B N O3 -","- C152 H112 B8 N8 O24 -","8","1","TK2636","Vega, Araceli; Tlahuext, Hugo; Höpfl, Herbert","{2-Hydroxy-6-[(2-oxidophenyl)iminomethyl-κ^2^<i>N</i>,<i>O</i>]phenolato-κ<i>O</i>^1^}phenylboron","Acta Crystallographica Section E","2010","66","4","o758","","10.1107/S1600536810007609","","","0.71073","MoKα","","0.1166","0.0606","","","0.1109","0.127","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225763","7.2667","0.0005","10.2058","0.0007","34.239","0.003","90","","90","","90","","2539.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexyl-3-(2-furoyl)thiourea","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C96 H128 N16 O16 S8 -","8","1","BQ2204","Duque, J.; Estévez, O.; Jancik, V.; Yee-Madeira, H.","Redetermination of 1-cyclohexyl-3-(2-furoyl)thiourea","Acta Crystallographica Section E","2010","66","5","o1106","","10.1107/S1600536810013693","","","0.71073","MoKα","","","0.0329","","","","0.0718","","","","","","1.202","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225769","13.0385","0.0013","8.7129","0.0007","22.424","0.002","90","","90","","90","","2547.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[4-(2-Aminoanilino)phenyl]-2,2,2-trifluoroethanone","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C112 H88 F24 N16 O8 -","8","1","BT5212","Dorn, Angelika; Schollmeyer, Dieter; Laufer, Stefan A.","1-[4-(2-Aminoanilino)phenyl]-2,2,2-trifluoroethanone","Acta Crystallographica Section E","2010","66","5","o1149","","10.1107/S1600536810008937","","","0.71073","MoKα","","0.0561","0.0446","","","0.1174","0.1273","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225790","9.55","0.001","10.104","0.002","28.133","0.004","90","","90","","90","","2714.6","0.7","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","1","BT5253","Gowda, B. Thimme; Foro, Sabine; Rodrigues, Vinola Z.; Fuess, Hartmut","4-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide","Acta Crystallographica Section E","2010","66","5","o1204","","10.1107/S1600536810014972","","","0.71073","MoKα","","0.1575","0.0859","","","0.1644","0.1928","","","","","","1.161","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225809","8.979","0.0018","18.5","0.004","20.05","0.004","90","","90","","90","","3330.5","1.2","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-[(Cyclopropylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","CI5077","Xu, Hai-Zhen; Yang, Yan-Xia; Zhu, You-Quan","(4<i>Z</i>)-4-[(Cyclopropylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2010","66","5","o1123","","10.1107/S1600536810013723","","","1.54187","CuKα","","0.0435","0.0395","","","0.0986","0.1036","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225820","23.975","0.005","13.935","0.004","13.647","0.009","90","","90","","90","","4559","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI)","","- C26 H56 Mo8 N4 O26 -","- C26 H56 Mo8 N4 O26 -","- C104 H224 Mo32 N16 O104 -","4","0.5","DN2553","Driss, Mohamed; Ksiksi, Rekaya; Ben Amor, Fatma; Zid, Mohamed Faouzi","Bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI)","Acta Crystallographica Section E","2010","66","5","m533","m534","10.1107/S1600536810013632","","","0.71073","MoKα","","0.0514","0.0355","","","0.0904","0.0993","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225844","12.803","0.001","9.146","0.001","20.221","0.003","90","","90","","90","","2367.8","0.5","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-(3-chlorophenyl)acetamide","","- C8 H5 Br3 Cl N O -","- C8 H5 Br3 Cl N O -","- C64 H40 Br24 Cl8 N8 O8 -","8","1","FL2301","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","2,2,2-Tribromo-<i>N</i>-(3-chlorophenyl)acetamide","Acta Crystallographica Section E","2010","66","5","o1140","","10.1107/S160053681001411X","","","1.5418","CuKα","","0.1253","0.0858","","","0.2899","0.3871","","","","","","1.585","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225846","12.3321","0.0019","13.3657","0.0019","25.426","0.004","90","","90","","90","","4190.9","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl- κ<i>C</i>^1^]bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","","- C13 H18 Cl2 Co F7 P2 -","- C13 H18 Cl2 Co F7 P2 -","- C104 H144 Cl16 Co8 F56 P16 -","8","1","GK2264","Zheng, Tingting; Sun, Hongjian","Dichlorido[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl-κ<i>C</i>^1^]bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2010","66","5","m574","","10.1107/S1600536810014066","","","0.71073","MoKα","","0.09","0.0607","","","0.1644","0.186","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225865","10.473","0.005","9.269","0.003","26.468","0.005","90","","90","","90","","2569.4","1.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1-(Carboxymethyl)cyclohexyl]methanaminium dihydrogen phosphate","","- C9 H20 N O6 P -","- C9 H20 N O6 P -","- C72 H160 N8 O48 P8 -","8","1","HB5398","Razzaq, Syed Naeem; Khan, Islam Ullah; Şahin, Onur; Büyükgüngör, Orhan","[1-(Carboxymethyl)cyclohexyl]methanaminium dihydrogen phosphate","Acta Crystallographica Section E","2010","66","5","o1074","","10.1107/S1600536810012973","","","0.71073","MoKα","","0.1112","0.0514","","","0.1154","0.1546","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225874","9.7591","0.0014","22.133","0.003","22.29","0.003","90","","90","","90","","4814.6","1.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Chlorophenyl)-3,6-diphenyl-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene- 1,8-dione","","- C31 H25 Cl O3 -","- C31 H25 Cl O3 -","- C248 H200 Cl8 O24 -","8","1","HB5410","Cui, Bin; Jin, Yan; Wang, Fang-Ming; Chen, Li-Zhuang; Han, Guang-Fan","9-(4-Chlorophenyl)-3,6-diphenyl-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2010","66","5","o1217","","10.1107/S1600536810015151","","","0.71073","MoKα","","0.1874","0.0884","","","0.1353","0.1649","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225911","15.794","0.003","15.82","0.003","9.739","0.002","90","","90","","90","","2433.4","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-[Bis(dimethylamino)phosphinoyl]-2,2,2-trichloroacetamide","","- C6 H13 Cl3 N3 O2 P -","- C6 H13 Cl3 N3 O2 P -","- C48 H104 Cl24 N24 O16 P8 -","8","1","JH2144","Amirkhanov, Oleksiy V.; Moroz, Olesia V.; Znovjyak, Kateryna O.; Trush, Elizaveta A.; Sliva, Tetyana Yu.","<i>N</i>-[Bis(dimethylamino)phosphinoyl]-2,2,2-trichloroacetamide","Acta Crystallographica Section E","2010","66","5","o1102","","10.1107/S1600536810013589","","","0.71073","MoKα","","0.0381","0.0298","","","0.0696","0.0723","","","","","","1.154","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225935","17.793","0.004","10.143","0.005","18.279","0.005","90","","90","","90","","3299","2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2',10'-Dibromospiro[cylohexane-1,6-dibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]","","- C18 H16 Br2 O2 -","- C18 H16 Br2 O2 -","- C144 H128 Br16 O16 -","8","1","NG2752","Zhang, Cheng-Bo; Zhang, Hai-Quan; Li, Qing-Shan; Xing, Guang-Zhong","2',10'-Dibromospiro[cylohexane-1,6-dibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]","Acta Crystallographica Section E","2010","66","5","o1047","","10.1107/S1600536810012535","","","0.71073","MoKα","","0.0914","0.0445","","","0.0941","0.1111","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225962","7.1614","0.0003","18.0957","0.0007","26.4021","0.0009","90","","90","","90","","3421.5","0.2","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N4 -","- C23 H14 N4 -","- C184 H112 N32 -","8","1","RK2199","Khan, F. Nawaz; Manivel, P.; Prabakaran, K.; Hathwar, Venkatesha R.; Akkurt, Mehmet","4-(5-Phenyl-1,2,4-triazolo[3,4-<i>a</i>]isoquinolin-3-yl)benzonitrile","Acta Crystallographica Section E","2010","66","5","o1081","","10.1107/S1600536810013012","","","0.71073","MoKα","","0.1219","0.0455","","","0.0877","0.1","","","","","","0.812","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225988","14.068","0.003","20.942","0.004","26.515","0.005","90","","90","","90","","7812","3","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl <i>N</i>-[6-(<i>N</i>,<i>N</i>-dipropylcarbamoyl)- 1,3-benzothiazol-2-yl]carbamate","","- C19 H27 N3 O3 S -","- C19 H27 N3 O3 S -","- C304 H432 N48 O48 S16 -","16","2","SJ2775","Fang, Xin; Lei, Can; Yu, Hai-Yang; Huang, Ming-Dong; Wang, Jun-Dong","<i>tert</i>-Butyl <i>N</i>-[6-(<i>N</i>,<i>N</i>-dipropylcarbamoyl)-1,3-benzothiazol-2-yl]carbamate","Acta Crystallographica Section E","2010","66","5","o1239","o1240","10.1107/S160053681001528X","","","0.71073","MoKα","","0.0561","0.0547","","","0.1132","0.1139","","","","","","1.265","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226019","13.553","0.003","9.1756","0.0018","14.264","0.003","90","","90","","90","","1773.8","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[dimethanolbis[μ-5-(3-pyridyl)tetrazolato- κ^2^<i>N</i>^2^:<i>N</i>^5^]copper(II)]","","- C14 H16 Cu N10 O2 -","- C14 H16 Cu N10 O2 -","- C56 H64 Cu4 N40 O8 -","4","0.5","XU2736","Wei, Xiao-Hong","Poly[dimethanolbis[μ-5-(3-pyridyl)tetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^5^]copper(II)]","Acta Crystallographica Section E","2010","66","5","m551","","10.1107/S1600536810013553","","","0.71073","MoKα","","0.0449","0.0308","","","0.0895","0.1018","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226025","12.9496","0.0008","8.6028","0.0006","24.324","0.002","90","","90","","90","","2709.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)hydrazinyl]benzonitrile","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C120 H120 N24 O16 -","8","1","XU2749","Çolak, Naki; Aksakal, Didem; Andaç, Ömer; Büyükgüngör, Orhan","3-[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)hydrazinyl]benzonitrile","Acta Crystallographica Section E","2010","66","5","o1165","o1166","10.1107/S1600536810013164","","","0.71073","MoKα","","0.1013","0.0435","","","0.0769","0.0897","","","","","","0.849","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226031","15.161","0.003","18.194","0.004","21.41","0.004","90","","90","","90","","5906","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Co I O2 P3 -","- C30 H34 Co I O2 P3 -","- C240 H272 Co8 I8 O16 P24 -","8","1","ZQ2034","Xu, Guoqiang; Li, Xiaoyan","{1,3-Bis[(diphenylphosphanyl-κ<i>P</i>)oxy]prop-2-yl-κ<i>C</i>^2^}iodido(trimethylphosphane)cobalt(II)","Acta Crystallographica Section E","2010","66","5","m545","","10.1107/S1600536810013747","","","0.71073","MoKα","","0.0302","0.0238","","","0.0569","0.0606","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226058","12.4487","0.0008","13.4619","0.0008","17.455","0.001","90","","90","","90","","2925.2","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","BT5261","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","2-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1292","","10.1107/S1600536810016235","","","0.71073","MoKα","","0.0467","0.0349","","","0.0877","0.0952","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226072","13.6405","0.0009","9.6495","0.0008","21.116","0.002","90","","90","","90","","2779.4","0.4","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide","","- C13 H9 Cl2 N O3 S -","- C13 H9 Cl2 N O3 S -","- C104 H72 Cl16 N8 O24 S8 -","8","1","BX2279","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","4-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1253","","10.1107/S160053681001559X","","","0.71073","MoKα","","0.0665","0.045","","","0.0912","0.1016","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226075","17.4415","0.0013","14.009","0.001","26.35","0.002","90","","90","","90","","6438.3","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-5-methoxyphenolato}copper(II) bis(perchlorate)","","- C26 H40 Cl2 Cu N4 O12 -","- C26 H40 Cl2 Cu N4 O12 -","- C208 H320 Cl16 Cu8 N32 O96 -","8","1","CI5083","Wang, Chen-Yi; Cao, Feng; Wang, Ping; Wu, Xiang; Yuan, Cai-Jun","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-5-methoxyphenolato}copper(II) bis(perchlorate)","Acta Crystallographica Section E","2010","66","6","m669","m670","10.1107/S1600536810017472","","","0.71073","MoKα","","0.1512","0.0591","","","0.1377","0.1815","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226078","7.4303","0.0004","15.3567","0.0006","29.6732","0.0013","90","","90","","90","","3385.9","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Formyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","CI5087","Ravichandran, K.; Ramesh, P.; Sakthivel, P.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Formyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2010","66","6","o1505","","10.1107/S1600536810018490","","","0.71073","MoKα","","0.1239","0.0585","","","0.1541","0.1937","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226081","15.0117","0.0012","13.3421","0.0011","20.0242","0.0016","90","","90","","90","","4010.6","0.6","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c- octahydronaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","1","CI5092","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.","Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c-octahydronaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate","Acta Crystallographica Section E","2010","66","6","o1345","","10.1107/S1600536810017307","","","0.71073","MoKα","","0.0577","0.047","","","0.1256","0.1338","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226085","11.1239","0.0001","15.7484","0.0002","32.44","0.0004","90","","90","","90","","5682.96","0.11","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](trifluoroacetato)palladium(II)","","- C26 H43 F3 O2 P2 Pd -","- C26 H43 F3 O2 P2 Pd -","- C208 H344 F24 O16 P16 Pd8 -","8","1","CV2705","Johnson, Magnus T.; Cetina, Mario; Rissanen, Kari; Wendt, Ola F.","[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](trifluoroacetato)palladium(II)","Acta Crystallographica Section E","2010","66","6","m675","","10.1107/S1600536810017861","","","0.71073","Mokα","","0.0499","0.0406","","","0.1192","0.135","","","","","","0.981","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226101","13.719","0.001","9.6781","0.0009","21.102","0.002","90","","90","","90","","2801.8","0.4","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(4-methylbenzoyl)benzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","DS2033","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","4-Chloro-<i>N</i>-(4-methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1501","","10.1107/S1600536810019501","","","0.71073","MoKα","","0.0783","0.0464","","","0.1084","0.1226","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226110","11.032","0.002","7.8423","0.0017","32.14","0.008","90","","90","","90","","2780.6","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(3-Methoxyphenyl)-2,6-dimethylcyclohex-3-enecarboxylic acid","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","FJ2304","Xie, Songwen; Nusbaum, Dannette A.; Stein, Holly J.; Pink, Maren","4-(3-Methoxyphenyl)-2,6-dimethylcyclohex-3-enecarboxylic acid","Acta Crystallographica Section E","2010","66","6","o1443","","10.1107/S1600536810018544","","","0.4428","synchrotron","","0.05","0.0368","","","0.0982","0.119","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226117","11.3533","0.0007","9.4214","0.0005","21.6603","0.0014","90","","90","","90","","2316.9","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-Phenyl-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine","","- C13 H11 N5 -","- C13 H11 N5 -","- C104 H88 N40 -","8","1","GK2271","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof","<i>N</i>-Phenyl-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine","Acta Crystallographica Section E","2010","66","6","o1327","","10.1107/S1600536810016697","","","0.71073","MoKα","","0.1","0.0454","","","0.0975","0.1188","","","","","","0.993","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226184","14.7989","0.0011","15.4918","0.0011","22.9079","0.0017","90","","90","","90","","5251.9","0.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Hydroxy-16-[(<i>E</i>)-4-hydroxy-3-methoxybenzylidene]-13-(4-hydroxy- 3-methoxyphenyl)-11-methyl-1,11-\ diazapentacyclo[12.3.1.0^2,10^.0^3,8^.0^10,14^]octadeca-3(8),4,6-triene- 9,15-dione","","- C32 H30 N2 O7 -","- C32 H30 N2 O7 -","- C256 H240 N16 O56 -","8","1","IS2545","Kumar, Raju Suresh; Osman, Hasnah; Ali, Mohamed Ashraf; Hemamalini, Madhukar; Fun, Hoong-Kun","2-Hydroxy-16-[(<i>E</i>)-4-hydroxy-3-methoxybenzylidene]-13-(4-hydroxy-3-methoxyphenyl)-11-methyl-1,11-diazapentacyclo[12.3.1.0^2,10^.0^3,8^.0^10,14^]octadeca-3(8),4,6-triene-9,15-dione","Acta Crystallographica Section E","2010","66","6","o1370","o1371","10.1107/S1600536810017216","","","0.71073","MoKα","","0.067","0.0508","","","0.1283","0.1449","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226189","13.668","0.0012","13.375","0.0008","14.541","0.0014","90","","90","","90","","2658.2","0.4","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxy-5-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C120 H112 O16 S8 -","8","1","JH2143","Thippeswamy, G. B.; Vijay Kumar, D.; Jayashree, B. S.; Sridhar, M. A.; Shashidhara Prasad, J.","1-(2-Hydroxy-5-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","6","o1385","","10.1107/S1600536810017058","","","0.71073","MoKα","","0.0718","0.0576","","","0.1635","0.1824","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226244","11.972","0.002","10.782","0.002","21.165","0.004","90","","90","","90","","2732","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-Bromoethyl)-1,4-diazoniabicyclo[2.2.2]octane bromide tetrafluoroborate","","- C8 H17 B Br2 F4 N2 -","- C8 H17 B Br2 F4 N2 -","- C64 H136 B8 Br16 F32 N16 -","8","1","NK2032","Xiao, Jing-mei","1-(2-Bromoethyl)-1,4-diazoniabicyclo[2.2.2]octane bromide tetrafluoroborate","Acta Crystallographica Section E","2010","66","6","o1344","","10.1107/S1600536810017204","","","0.71073","MoKα","","0.1125","0.058","","","0.0931","0.1079","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226278","13.218","0.003","9.4979","0.0019","19.811","0.004","90","","90","","90","","2487.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-Bis[imino(2-pyridyl)methyl]hydrazine","<i>N</i>-(2-Pyridylmethanimidamido)pyridine-2-carboximidamide","","- C12 H12 N6 -","- C12 H12 N6 -","- C96 H96 N48 -","8","1","SI2254","Wang, Yingchun","<i>N</i>-(2-Pyridylmethanimidamido)pyridine-2-carboximidamide","Acta Crystallographica Section E","2010","66","6","o1515","","10.1107/S1600536810016351","","","0.71073","MoKα","","0.1097","0.0725","","","0.2001","0.2223","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226334","9.4498","0.0008","17.0223","0.0016","17.4454","0.0016","90","","90","","90","","2806.2","0.4","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(1<i>H</i>-Benzimidazol-2-ylmethyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","WN2387","Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Gowda, Janardhana; Khader, A. M. A.; Kalluraya, B.","4-(1<i>H</i>-Benzimidazol-2-ylmethyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2010","66","6","o1495","","10.1107/S1600536810019367","","","0.71073","MoKα","","0.0567","0.0409","","","0.1048","0.1192","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226339","15.5513","0.0012","9.9178","0.0007","21.1542","0.0017","90","","90","","90","","3262.7","0.4","296","1","296","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl (4a<i>R</i>*,7<i>S</i>*,8<i>S</i>*,8a<i>S</i>*)-1-oxo-7-phenyl- 3,4,4a,7,8,8a-hexahydro-1<i>H</i>-isochromene-8-carboxylate","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","XU2757","Jiang, Xiu Qing; Wu, Jin-Long","Ethyl (4a<i>R</i>*,7<i>S</i>*,8<i>S</i>*,8a<i>S</i>*)-1-oxo-7-phenyl-3,4,4a,7,8,8a-hexahydro-1<i>H</i>-isochromene-8-carboxylate","Acta Crystallographica Section E","2010","66","6","o1367","","10.1107/S1600536810017009","","","0.71073","MoKα","","0.1259","0.0687","","","0.1673","0.1971","","","","","","0.997","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226431","17.8989","0.0004","14.0071","0.0004","27.7222","0.0006","90","","90","","90","","6950.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-1,2,3,4-tetrahydroquinazoline-2,4-dione","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C352 H288 N32 O32 -","16","2","FJ2301","Karimova, Gavhar; Ashurov, Jamshid; Mukhamedov, Nasir; Parpiev, Nusrat A.; Shakhidoyatov, Khusniddin M.","1,3-Dibenzyl-1,2,3,4-tetrahydroquinazoline-2,4-dione","Acta Crystallographica Section E","2010","66","7","o1547","","10.1107/S1600536810019938","","","1.54184","CuKα","","0.0768","0.0414","","","0.0997","0.1115","","","","","","0.898","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226440","9.9616","0.0004","13.602","0.0013","24.4162","0.0017","90","","90","","90","","3308.3","0.4","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C144 H136 Br8 O32 -","8","1","FJ2317","Jasinski, Jerry P.; Butcher, Ray J.; Veena, K.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-1-(2-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","7","o1676","","10.1107/S160053681002235X","","","0.71073","MoKα","","0.0431","0.0394","","","0.1094","0.1123","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226450","7.5462","0.0003","18.9324","0.0011","20.0445","0.0009","90","","90","","90","","2863.7","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-[(1<i>E</i>)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2<i>H</i>-chromen-7-olate","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","1","GK2282","Aazam, E. S.; El Husseiny, A. F.; Al-Amri, H. M.; Büyükgüngör, Orhan","8-[(1<i>E</i>)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2<i>H</i>-chromen-7-olate","Acta Crystallographica Section E","2010","66","7","o1796","","10.1107/S1600536810023093","","","0.71073","MoKα","","0.0689","0.0375","","","0.0849","0.0953","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226479","11.628","0.002","7.6638","0.0015","23.873","0.005","90","","90","","90","","2127.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Benzylidenefuran-2-carbohydrazide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C96 H80 N16 O16 -","8","1","HB5485","Li, Yu-Feng; Jian, Fang-Fang","<i>N</i>'-Benzylidenefuran-2-carbohydrazide","Acta Crystallographica Section E","2010","66","7","o1720","","10.1107/S1600536810021471","","","0.71073","MoKα","","0.1431","0.0685","","","0.1495","0.1823","","","","","","0.873","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226485","13.066","0.003","10.128","0.002","19.224","0.004","90","","90","","90","","2544","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Ethyl-1-(4-methoxybenzylidene)thiosemicarbazide","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","HB5492","Li, Yu-Feng; Jian, Fang-Fang","4-Ethyl-1-(4-methoxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2010","66","7","o1714","","10.1107/S1600536810022919","","","0.71073","MoKα","","0.0617","0.0531","","","0.1478","0.1599","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226563","10.6599","0.0014","9.78","0.0013","16.401","0.002","90","","90","","90","","1709.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methylanilinium nitrate","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C56 H80 N16 O24 -","8","1","KJ2146","Rademeyer, Melanie; Liles, David C.","3-Methylanilinium nitrate","Acta Crystallographica Section E","2010","66","7","o1685","","10.1107/S1600536810020738","","","0.71073","MoKα","","0.0578","0.0397","","","0.1149","0.1353","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226570","11.7297","0.0004","7.456","0.0002","34.0313","0.0009","90","","90","","90","","2976.26","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Ethylsulfinyl-5-iodo-2-phenyl-1-benzofuran","","- C16 H13 I O2 S -","- C16 H13 I O2 S -","- C128 H104 I8 O16 S8 -","8","1","KP2264","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-Ethylsulfinyl-5-iodo-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2010","66","7","o1814","","10.1107/S1600536810024190","","","0.71073","MoKα","","0.0306","0.0276","","","0.0662","0.0677","","","","","","1.148","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226587","15.392","0.003","9.11","0.002","20.128","0.003","90","","90","","90","","2822.4","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","1","LH5065","Hao, Yu-Mei","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1631","","10.1107/S160053681002180X","","","0.71073","MoKα","","0.1311","0.0561","","","0.117","0.1499","","","","","","0.99","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226610","15.101","0.003","5.8093","0.0012","24.866","0.005","90","","90","","90","","2181.4","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3,4-Difluorophenyl)phthalimide","","- C14 H7 F2 N O2 -","- C14 H7 F2 N O2 -","- C112 H56 F16 N8 O16 -","8","1","NG2786","Fu, Xian-Shu; Yu, Xiao-Ping; Wang, Wei-Min; Lin, Fang","<i>N</i>-(3,4-Difluorophenyl)phthalimide","Acta Crystallographica Section E","2010","66","7","o1809","","10.1107/S1600536810024189","","","0.71073","MoKα","","0.0427","0.0399","","","0.1123","0.1154","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226618","11.3742","0.0012","8.1364","0.0009","26.88","0.003","90","","90","","90","","2487.6","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,7-Bis(prop-2-yn-1-yloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","OM2339","Xue, Wei-jian; Lu, Hui; Pang, Tao","2,7-Bis(prop-2-yn-1-yloxy)naphthalene","Acta Crystallographica Section E","2010","66","7","o1610","","10.1107/S1600536810020982","","","0.71073","MoKα","","0.1017","0.0627","","","0.1283","0.1458","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226627","19.79","0.004","7.238","0.0014","20.473","0.004","90","","90","","90","","2932.6","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methylanilinium 3,5-dinitrobenzoate","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C112 H104 N24 O48 -","8","1","PV2280","Xu, Rui-jun","4-Methylanilinium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2010","66","7","o1574","","10.1107/S1600536810018441","","","0.71073","MoKα","","0.0821","0.0537","","","0.1397","0.1587","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226633","12.296","0.005","12.915","0.004","15.47","0.005","90","","90","","90","","2456.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')chloridotrimethanolatoniobium(V)","","- C8 H16 Cl Nb O5 -","- C8 H16 Cl Nb O5 -","- C64 H128 Cl8 Nb8 O40 -","8","1","PV2289","Herbst, Leandra; Koen, Renier; Roodt, Andreas; Visser, Hendrik G.","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')chloridotrimethanolatoniobium(V)","Acta Crystallographica Section E","2010","66","7","m801","m802","10.1107/S1600536810021719","","","0.71073","MoKα","","0.0302","0.0228","","","","0.0678","","","","","","1.155","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226636","12.017","0.0004","11.2808","0.0003","25.6942","0.0008","90","","90","","90","","3483.14","0.18","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-4,6-<i>O</i>-ethylidene-<i>myo</i>- insitol 1,3,5-orthoformate","","- C15 H26 O6 Si -","- C15 H26 O6 Si -","- C120 H208 O48 Si8 -","8","1","PV2294","Xu, Zhouqin; Wang, Qiang; Sun, Yanchun","2-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-4,6-<i>O</i>-ethylidene-<i>myo</i>-insitol 1,3,5-orthoformate","Acta Crystallographica Section E","2010","66","7","o1741","","10.1107/S1600536810023214","","","0.71073","MoKα","","0.1234","0.0524","","","0.117","0.1485","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226648","11.4861","0.001","11.8659","0.0011","30.087","0.003","90","","90","","90","","4100.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro- 9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","","- C24 H28 O5 -","- C24 H28 O5 -","- C192 H224 O40 -","8","1","RZ2454","Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun","9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2010","66","7","o1538","o1539","10.1107/S1600536810020258","","","0.71073","MoKα","","0.0648","0.0447","","","0.1175","0.136","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226681","24.726","0.004","15.385","0.003","8.27","0.0015","90","","90","","90","","3146","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-methoxybenzohydrazide","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C136 H152 N24 O16 -","8","1","SJ5024","Liu, Shi-Yong; Wang, Xiaoling","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1775","","10.1107/S1600536810023937","","","0.71073","MoKα","","0.0583","0.0393","","","0.0941","0.1057","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226684","16.039","0.0013","5.8399","0.0005","22.5298","0.0019","90","","90","","90","","2110.3","0.3","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-2-methylbut-3-yn-2-ol","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","SJ5028","Eissmann, Frank; Kafurke, Uwe; Weber, Edwin","4-(4-Methoxyphenyl)-2-methylbut-3-yn-2-ol","Acta Crystallographica Section E","2010","66","7","o1866","","10.1107/S1600536810024529","","","0.71073","MoKα","","0.0464","0.0374","","","0.1043","0.1135","","","","","","1.098","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226693","15.587","0.003","9.1281","0.0019","20.399","0.004","90","","90","","90","","2902.4","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Br N2 O3 -","- C15 H13 Br N2 O3 -","- C120 H104 Br8 N16 O24 -","8","1","SU2186","Liu, Shi-Yong; You, Zhonglu","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1658","","10.1107/S1600536810022002","","","0.71073","MoKα","","0.1197","0.0429","","","0.0974","0.1268","","","","","","0.995","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226721","7.8015","0.0014","12.669","0.002","29.91","0.006","90","","90","","90","","2956.2","0.9","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triethylammonium 4-nitrobenzenesulfonate","","- C12 H20 N2 O5 S -","- C12 H20 N2 O5 S -","- C96 H160 N16 O40 S8 -","8","1","WN2392","Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun","Triethylammonium 4-nitrobenzenesulfonate","Acta Crystallographica Section E","2010","66","7","o1647","","10.1107/S1600536810021379","","","0.71073","MoKα","","0.0745","0.0457","","","0.114","0.1347","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226723","7.0751","0.0012","20.843","0.004","20.983","0.004","90","","90","","90","","3094.3","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)nicotinonitrile","6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)pyridine-3-carbonitrile","","- C18 H15 N3 O S -","- C17.9983 H15 N3 O S -","- C143.986 H120 N24 O8 S8 -","8","1","WN2394","Fun, Hoong-Kun; Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Padaki, Mahesh; Isloor, Arun M.","6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)nicotinonitrile","Acta Crystallographica Section E","2010","66","7","o1811","o1812","10.1107/S160053681002369X","","","0.71073","MoKα","","0.0681","0.0378","","","0.073","0.085","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226747","8.5878","0.0006","17.0342","0.0012","30.669","0.002","90","","90","","90","","4486.5","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-{2-Methyl-5-[(5-oxo-10,11-dihydro-5<i>H</i>- dibenzo[<i>a</i>,<i>d</i>]cyclohepten-2-yl)amino]phenyl}benzamide","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C232 H192 N16 O16 -","8","1","ZL2285","Dorn, Angelika; Schollmeyer, Dieter; Laufer, Stefan A.","<i>N</i>-{2-Methyl-5-[(5-oxo-10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-2-yl)amino]phenyl}benzamide","Acta Crystallographica Section E","2010","66","7","o1867","","10.1107/S1600536810024256","","","0.71069","MoKα","","0.0752","0.0444","","","0.1025","0.1187","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226760","16.2468","0.0005","12.8841","0.0004","17.6041","0.0005","90","","90","","90","","3684.99","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(1,3-dibenzylimidazolium) μ-oxido-bis[trichloridoferrate(III)]","","- C34 H34 Cl6 Fe2 N4 O -","- C34 H34 Cl6 Fe2 N4 O -","- C136 H136 Cl24 Fe8 N16 O4 -","4","0.5","ZS2046","Mutambi, E. M.; Adams, C. J.; Orpen, A. G.","Bis(1,3-dibenzylimidazolium) μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2010","66","7","m846","","10.1107/S1600536810024098","","","0.71073","MoKα","","0.0517","0.0326","","","0.0731","0.0811","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226763","14.888","0.001","13.884","0.001","18.843","0.001","90","","90","","90","","3894.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-[(<i>E</i>)-4-methyl-1-(4-methylphenylsulfonyl)-1,2- dihydropyridin-2-ylidene]benzenesulfonamide","","- C20 H20 N2 O4 S2 -","- C20 H20 N2 O4 S2 -","- C160 H160 N16 O32 S16 -","8","1","BH2287","Tabatabaee, Masoumeh; Ghassemzadeh, Mitra; Hesami, Liela; Neumüller, Bernhard","4-Methyl-<i>N</i>-[(<i>E</i>)-4-methyl-1-(4-methylphenylsulfonyl)-1,2-dihydropyridin-2-ylidene]benzenesulfonamide","Acta Crystallographica Section E","2010","66","8","o1891","","10.1107/S1600536810025158","","","0.71073","MoKα","","0.0751","0.0444","","","0.0863","0.0942","","","","","","0.939","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226805","18.746","0.002","10.3842","0.0018","20.994","0.003","90","","90","","90","","4086.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(6-acetyl-9-octyl-9<i>H</i>-carbazol-3-yl)ethan-1-one","1,1'-(9-Octyl-9<i>H</i>-carbazole-3,6-diyl)diethanone","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C192 H232 N8 O16 -","8","1","BV2151","Saeed, Aamer; Kazmi, Madiha; Ameen Samra, Shahid; Irfan, Madiha; Bolte, Michael","1,1'-(9-Octyl-9<i>H</i>-carbazole-3,6-diyl)diethanone","Acta Crystallographica Section E","2010","66","8","o2118","","10.1107/S1600536810028928","","","0.71073","MoKα","","0.0892","0.0442","","","0.0793","0.0858","","","","","","0.845","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226823","12.5801","0.0002","11.4157","0.0002","15.756","0.0003","90","","90","","90","","2262.73","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Aminopyridinium 2-hydroxybenzoate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","CI5130","Fun, Hoong-Kun; Hemamalini, Madhukar; Rajakannan, Venkatachalam","4-Aminopyridinium 2-hydroxybenzoate","Acta Crystallographica Section E","2010","66","8","o2010","o2011","10.1107/S1600536810027042","","","0.71073","MoKα","","0.0808","0.059","","","0.1085","0.1178","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226830","9.0563","0.0011","13.8931","0.0017","24.641","0.003","90","","90","","90","","3100.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","6,14-Dibromo-2,11-dithia[3.3]paracyclophane","1^2^,5^2^-dibromo-2,7-dithia-1,5(1,4)-dibenzenaoctaphane","","- C16 H14 Br2 S2 -","- C16 H14 Br2 S2 -","- C128 H112 Br16 S16 -","8","1","CV2739","Zhu, Xingxun; Hu, Ming","6,14-Dibromo-2,11-dithia[3.3]paracyclophane","Acta Crystallographica Section E","2010","66","8","o2123","","10.1107/S1600536810028874","","","0.71073","MoKα","","0.0751","0.0409","","","0.1052","0.1148","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226858","7.6406","0.0007","12.0326","0.0011","32.797","0.003","90","","90","","90","","3015.2","0.5","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1-Methyl-3,5-bis(3-methylphenyl)benzene","","- C21 H20 -","- C21 H20 -","- C168 H160 -","8","1","FJ2321","Xia, Dong-Guo; Lei, Ke-Wei; Li, Jie; Su, Zheng-Yu","1-Methyl-3,5-bis(3-methylphenyl)benzene","Acta Crystallographica Section E","2010","66","8","o1915","","10.1107/S1600536810024980","","","0.71073","MoKα","","0.0492","0.0408","","","0.1048","0.1121","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226865","17.7096","0.0004","8.4987","0.0002","21.5013","0.0004","90","","90","","90","","3236.13","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-tetraethylpyridine-2,6- dicarboxamide","","- C15 H22 Br N3 O2 -","- C15 H22 Br N3 O2 -","- C120 H176 Br8 N24 O16 -","8","1","FL2308","de Lill, Daniel T.; de Bettencourt-Dias, Ana","4-Bromo-<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-tetraethylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2010","66","8","o2124","","10.1107/S1600536810028837","","","0.71073","MoKα","","0.0642","0.0385","","","0.0832","0.1005","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226886","10.703","0.002","13.275","0.004","19.683","0.005","90","","90","","90","","2796.6","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,7,8,9-Tetrahydro-4b,9b-dihydroxyindano[1,2-<i>b</i>]indoline-9,10-dione monohydrate","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C120 H120 N8 O40 -","8","1","HB5521","Yaqub, Muhammad; Mahmood, Khalid; Tahir, M. Nawaz; Shafiq, Zahid; Rauf, Abdul","6,7,8,9-Tetrahydro-4b,9b-dihydroxyindano[1,2-<i>b</i>]indoline-9,10-dione monohydrate","Acta Crystallographica Section E","2010","66","8","o1886","","10.1107/S1600536810025328","","","0.71073","MoKα","","0.0911","0.0474","","","0.1056","0.1349","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226895","19.4021","0.0013","12.1065","0.0007","20.0554","0.0011","90","","90","","90","","4710.8","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(2-Nitrobenzylidene)-2-phenylhydrazine","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C208 H176 N48 O32 -","16","2","HB5534","Shad, Hazoor Ahmad; Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Sarfraz, Muhammad; Ahmad, Shahbaz","(<i>E</i>)-1-(2-Nitrobenzylidene)-2-phenylhydrazine","Acta Crystallographica Section E","2010","66","8","o1955","","10.1107/S1600536810025882","","","0.71073","MoKα","","0.0844","0.0446","","","0.0974","0.1166","","","","","","1.014","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226897","6.6219","0.0001","14.4347","0.0002","24.759","0.0003","90","","90","","90","","2366.59","0.06","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2,6-diaminopyridin-1-ium) hexaaquacobalt(II) disulfate dihydrate","","- C10 H32 Co N6 O16 S2 -","- C10 H32 Co N6 O16 S2 -","- C40 H128 Co4 N24 O64 S8 -","4","0.5","HB5536","Al-Dajani, Mohammad T. M.; Wahab, Habibah A.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun","Bis(2,6-diaminopyridin-1-ium) hexaaquacobalt(II) disulfate dihydrate","Acta Crystallographica Section E","2010","66","8","m917","m918","10.1107/S1600536810026693","","","0.71073","MoKα","","0.026","0.0224","","","0.0618","0.0635","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226913","17.655","0.003","7.6304","0.0015","19.02","0.004","90","","90","","90","","2562.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dimethylbenzylidene)furan-2-carbohydrazide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","HB5553","Li, Yu-Feng; Jian, Fang-Fang","<i>N</i>'-(3,4-Dimethylbenzylidene)furan-2-carbohydrazide","Acta Crystallographica Section E","2010","66","8","o2061","","10.1107/S1600536810027959","","","0.71073","MoKα","","0.1358","0.0658","","","0.1434","0.1773","","","","","","0.898","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226923","9.426","0.002","15.568","0.004","22.601","0.006","90","","90","","90","","3316.6","1.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C~15~H~7~Cl~2~F~6~N~O~2","<i>N</i>-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,6- difluorobenzamide","","- C15 H7 Cl2 F6 N O2 -","- C15 H7 Cl2 F6 N O2 -","- C120 H56 Cl16 F48 N8 O16 -","8","1","HB5568","Liang, Ying; Wei, San; Yang, Zi-Wen","<i>N</i>-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,6-difluorobenzamide","Acta Crystallographica Section E","2010","66","8","o2156","","10.1107/S1600536810029612","","","0.71073","MoKα","","0.1084","0.0839","","","0.2311","0.2534","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226936","8.8398","0.0009","18.6996","0.0019","22.349","0.002","90","","90","","90","","3694.3","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) sulfate dihydrate","","- C12 H20 Cd N2 O10 S -","- C12 H20 Cd N2 O10 S -","- C96 H160 Cd8 N16 O80 S8 -","8","1","HY2328","Zhang, Yuan-Yuan; Jin, Qiong-Hua; Yang, Wei; Zhang, Cun-Lin","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) sulfate dihydrate","Acta Crystallographica Section E","2010","66","8","m970","","10.1107/S1600536810028175","","","0.71073","MoKα","","0.0408","0.0329","","","0.0628","0.0653","","","","","","1.163","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226939","12.9059","0.001","14.8605","0.0011","14.9432","0.0011","90","","90","","90","","2865.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2,2'-Dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","","- C8 H8 Hg I2 N2 S2 -","- C8 H8 Hg I2 N2 S2 -","- C64 H64 Hg8 I16 N16 S16 -","8","1","HY2334","Abedi, Anita; Yahyazade Bali, Effat","(2,2'-Dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","Acta Crystallographica Section E","2010","66","8","m1023","","10.1107/S1600536810029302","","","0.71073","MoKα","","0.0322","0.0247","","","0.0544","0.0575","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226946","11.422","0.002","7.089","0.0014","22.887","0.005","90","","90","","90","","1853.2","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Ethoxyanilinium chloride","","- C8 H12 Cl N O -","- C8 H12 Cl N O -","- C64 H96 Cl8 N8 O8 -","8","1","IM2216","Fu, Xue-qun","4-Ethoxyanilinium chloride","Acta Crystallographica Section E","2010","66","8","o1944","","10.1107/S1600536810025973","","","0.71073","MoKα","","0.0606","0.0451","","","0.0995","0.106","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226972","12.199","0.002","10.51","0.002","32.484","0.007","90","","90","","90","","4164.8","1.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1, 8(5<i>H</i>,9<i>H</i>)-dione","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C184 H200 N8 O40 -","8","1","JH2186","Mo, Yingming; Zang, Hong-Jun; Cheng, Bo-Wen","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section E","2010","66","8","o2129","","10.1107/S1600536810029211","","","0.71073","MoKα","","0.0737","0.0632","","","0.1385","0.1444","","","","","","1.158","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226989","19.4984","0.0019","5.2601","0.0006","29.851","0.003","90","","90","","90","","3061.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-(8-quinolyloxy)acetamide monohydrate","","- C17 H15 Cl N2 O3 -","- C17 H15 Cl N2 O3 -","- C136 H120 Cl8 N16 O24 -","8","1","LH5076","Wang, Yuan; Li, Yan-Wei; Li, Xiao-Xia","<i>N</i>-(4-Chlorophenyl)-2-(8-quinolyloxy)acetamide monohydrate","Acta Crystallographica Section E","2010","66","8","o1977","","10.1107/S1600536810026206","","","0.71073","MoKα","","0.1226","0.0471","","","0.1034","0.1284","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226998","8.7973","0.0001","27.2813","0.0003","32.0903","0.0006","90","","90","","90","","7701.73","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2,3,7,8,13,14,17,18-Octakis(ethylsulfanyl)-5,10,15,20-porphyrazinato]zinc(II)","","- C32 H40 N8 S8 Zn -","- C32 H40 N8 S8 Zn -","- C256 H320 N64 S64 Zn8 -","8","1","LH5086","Akkurt, Mehmet; Coşkun, Naciye Yılmaz; Kılıçaslan, Fatma Aytan; Yalçın, Sabiha Manav; Büyükgüngör, Orhan; Gül, Ahmet","[2,3,7,8,13,14,17,18-Octakis(ethylsulfanyl)-5,10,15,20-porphyrazinato]zinc(II)","Acta Crystallographica Section E","2010","66","8","m998","m999","10.1107/S1600536810028588","","","0.71073","MoKα","","0.0609","0.0401","","","0.0897","0.0969","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227044","9.79","0.002","10.204","0.002","11.057","0.002","90","","90","","90","","1104.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyanomethanaminium tetrafluoroborate","","- C2 H5 B F4 N2 -","- C2 H5 B F4 N2 -","- C16 H40 B8 F32 N16 -","8","1","PV2302","Han, Meng Ting; Zhang, Yuan","Cyanomethanaminium tetrafluoroborate","Acta Crystallographica Section E","2010","66","8","o1941","","10.1107/S1600536810025857","","","0.71073","MoKα","","0.0368","0.0343","","","0.0943","0.0972","","","","","","0.741","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227063","9.573","0.0019","13.188","0.003","22.205","0.004","90","","90","","90","","2803.4","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(5-Bromo-2-methylphenyl)(4-ethoxyphenyl)methanone","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","1","RZ2475","Shi, Yong-Heng; Zhao, Gui-Long; Shao, Hua; Liu, Wei; Xu, Wei-Ren","(5-Bromo-2-methylphenyl)(4-ethoxyphenyl)methanone","Acta Crystallographica Section E","2010","66","8","o2038","","10.1107/S1600536810027327","","","0.71073","MoKα","","0.0481","0.0407","","","0.1018","0.1067","","","","","","1.096","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227076","11.7933","0.0003","10.3648","0.0002","17.8667","0.0004","90","","90","","90","","2183.94","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(6-{2-[6-(2,2-Dimethylpropanamido)-2-pyridyl]ethyl}-2-pyridyl)-2,2- dimethylpropanamide","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C88 H120 N16 O8 -","4","0.5","SJ5021","Fun, Hoong-Kun; Loh, Wan-Sin; Das, Nirmal Kumar; Sen, Debabrata; Goswami, Shyamaprosad","<i>N</i>-(6-{2-[6-(2,2-Dimethylpropanamido)-2-pyridyl]ethyl}-2-pyridyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2010","66","8","o1960","o1961","10.1107/S1600536810023068","","","0.71073","MoKα","","0.1334","0.0622","","","0.1312","0.1608","","","","","","1.034","","","","has coordinates,has disorder","176789","2020-10-21","18:00:00",""
"2227077","14.9105","0.0005","21.3468","0.0007","28.7377","0.0009","90","","90","","90","","9147","0.5","100","0.1","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-μ- bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>'-[tris(2- chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","","- C40 H34 As2 Cl3 O12 P Ru3 -","- C40 H34 As2 Cl3 O12 P Ru3 -","- C320 H272 As16 Cl24 O96 P8 Ru24 -","8","1","SJ5029","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","Nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-μ-bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>'-[tris(2-chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2010","66","8","m929","m930","10.1107/S1600536810026267","","","0.71073","MoKα","","0.0975","0.0802","","","0.1736","0.1837","","","","","","1.276","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227165","12.8631","0.0005","20.1109","0.0009","23.093","0.0009","90","","90","","90","","5973.9","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-<i>n</i>-butylammonium 2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]benzoate","","- C30 H47 N O3 S -","- C30 H47 N O3 S -","- C240 H376 N8 O24 S8 -","8","1","BH2302","Alhadi, Abeer A.; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Di-<i>n</i>-butylammonium 2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]benzoate","Acta Crystallographica Section E","2010","66","9","o2454","","10.1107/S1600536810033921","","","0.71073","MoKα","","0.0916","0.0498","","","0.1148","0.1375","","","","","","1.012","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227196","13.9978","0.0002","7.0557","0.0001","27.3758","0.0004","90","","90","","90","","2703.75","0.07","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>-(2,3-dimethoxybenzylidene)aniline","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C120 H112 Br8 N8 O16 -","8","1","BT5308","Fejfarová, Karla; Makrlík, Emanuel; Khalaji, Aliakbar Dehno","(<i>E</i>)-4-Bromo-<i>N</i>-(2,3-dimethoxybenzylidene)aniline","Acta Crystallographica Section E","2010","66","9","o2217","","10.1107/S1600536810029880","","","1.54184","CuKα","","0.0323","0.0301","","","0.1206","0.1226","","","","","","1.82","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227277","11.3872","0.0007","9.5037","0.0005","21.512","0.002","90","","90","","90","","2328","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Chlorbromuron","1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea","","- C9 H10 Br Cl N2 O2 -","- C9 H10 Br Cl N2 O2 -","- C72 H80 Br8 Cl8 N16 O16 -","8","1","BV2148","Black, Harrison M.; Baughman, Russell G.","1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea (chlorbromuron)","Acta Crystallographica Section E","2010","66","9","o2221","","10.1107/S1600536810030606","","","0.71073","MoKα","","0.1113","0.0647","","","0.1471","0.1727","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227358","15.165","0.003","8.0452","0.0015","19.349","0.004","90","","90","","90","","2360.7","0.8","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazin-1-yl]ethanone","","- C11 H11 Cl N4 O -","- C11 H11 Cl N4 O -","- C88 H88 Cl8 N32 O8 -","8","1","CV2768","Xu, Feng; Yang, Zhenzhen; Jiang, Junrong; Shi, Lei","1-[3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazin-1-yl]ethanone","Acta Crystallographica Section E","2010","66","10","o2651","","10.1107/S1600536810037839","","","0.71073","MoKα","","0.0523","0.0488","","","0.1478","0.1515","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227443","12.127","0.0013","10.6829","0.0011","17.6066","0.0015","90","","90","","90","","2281","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethylammonium 4-hydroxybenzoate","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C88 H136 N8 O24 -","8","1","FL2305","Lu, Yong-Hong","Diethylammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2010","66","11","o2920","","10.1107/S1600536810040523","","","0.71073","MoKα","","0.0936","0.0425","","","0.0981","0.1301","","","","","","1.064","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2227447","8.2804","0.0005","14.593","0.0009","17.9924","0.0011","90","","90","","90","","2174.1","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Ethyl-6-ethylamino-4-oxo-1,3,5-triazin-2-aminium chloride","","- C7 H14 Cl N5 O -","- C7 H14 Cl N5 O -","- C56 H112 Cl8 N40 O8 -","8","1","FL2312","Brown, J. Emery; Baughman, Russell G.","<i>N</i>-Ethyl-6-ethylamino-4-oxo-1,3,5-triazin-2-aminium chloride (Oxysimazine·HCl)","Acta Crystallographica Section E","2010","66","10","o2481","","10.1107/S1600536810033775","","","0.71073","MoKα","","0.0697","0.0374","","","0.082","0.0944","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227452","10.7589","0.0002","9.5652","0.0002","24.5586","0.0004","90","","90","","90","","2527.35","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-<i>N</i>-(3-methoxypyrazin-2-yl)benzenesulfonamide","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","1","FL2318","Bruni, Bruno; Coran, Silvia A.; Bartolucci, Gianluca; Di Vaira, Massimo","4-Amino-<i>N</i>-(3-methoxypyrazin-2-yl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","10","o2663","","10.1107/S1600536810038158","","","1.5418","CuKα","","0.0371","0.0318","","","0.0888","0.1025","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227510","7.4737","0.001","12.8128","0.0017","24.529","0.003","90","","90","","90","","2348.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methoxyphenoxy)-3-nitropyridine","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","HB5614","Nasir, Shah Bakhtiar; Abdullah, Zanariah; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methoxyphenoxy)-3-nitropyridine","Acta Crystallographica Section E","2010","66","9","o2428","","10.1107/S1600536810034057","","","0.71073","MoKα","","0.073","0.04","","","0.1","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227550","13.397","0.003","9.1271","0.0018","18.799","0.004","90","","90","","90","","2298.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Methoxybenzylidene)-4-methylthiosemicarbazide","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","HB5659","Li, Yu-Feng","1-(4-Methoxybenzylidene)-4-methylthiosemicarbazide","Acta Crystallographica Section E","2010","66","11","o2728","","10.1107/S1600536810038882","","","0.71073","MoKα","","0.0664","0.0397","","","0.1191","0.1461","","","","","","0.935","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227557","7.1107","0.0003","13.9635","0.0005","21.2867","0.0009","90","","90","","90","","2113.56","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Pyridin-2-yl)coumarin","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","1","HB5667","Da, Yu-Xia; Quan, Zheng-Jun","3-(Pyridin-2-yl)coumarin","Acta Crystallographica Section E","2010","66","11","o2872","","10.1107/S1600536810039796","","","1.54184","CuKα","","0.0961","0.0722","","","0.1905","0.2304","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227574","7.6832","0.0003","11.0225","0.0003","27.1427","0.0011","90","","90","","90","","2298.66","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-hydroxybenzamide","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C104 H80 Cl8 N8 O16 -","8","1","HB5690","Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz; Shamshad, Sumaira","<i>N</i>-(4-Chlorophenyl)-2-hydroxybenzamide","Acta Crystallographica Section E","2010","66","11","o2922","","10.1107/S1600536810042030","","","0.71073","MoKα","","0.0553","0.0366","","","0.088","0.0996","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227598","15.203","0.006","14.006","0.005","18.015","0.007","90","","90","","90","","3836","3","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒benzoic acid (1/1)","","- C19 H20 N4 O4 S -","- C19 H20 N4 O4 S -","- C152 H160 N32 O32 S8 -","8","1","HG2707","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒benzoic acid (1/1)","Acta Crystallographica Section E","2010","66","9","o2430","","10.1107/S1600536810034094","","","0.71069","MoKα","","0.069","0.065","","","0.156","0.159","","","","","","1.17","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227661","7.3543","0.0003","6.2617","0.0003","31.3872","0.0013","90","","90","","90","","1445.39","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","0.5","IS2575","Narayan, Gopinathan; Rath, Nigam P.; Das, Suresh","(1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene","Acta Crystallographica Section E","2010","66","10","o2678","","10.1107/S1600536810037141","","","0.71073","MoKα","","0.0611","0.0449","","","0.1023","0.1097","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227690","6.58278","0.00012","16.1134","0.0003","30.275","0.0006","90","","90","","90","","3211.3","0.11","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Bromophenyl)(2,7-dimethoxy-1-naphthyl)methanone","","- C19 H15 Br O3 -","- C19 H15 Br O3 -","- C152 H120 Br8 O24 -","8","1","IS2618","Kato, Yuichi; Nagasawa, Atsushi; Tsumuki, Takehiro; Okamoto, Akiko; Yonezawa, Noriyuki","(4-Bromophenyl)(2,7-dimethoxy-1-naphthyl)methanone","Acta Crystallographica Section E","2010","66","11","o2939","","10.1107/S1600536810042662","","","1.54187","CuKα","","0.0348","0.033","","","0.0805","0.0815","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227706","9.675","0.002","13.137","0.003","23.128","0.005","90","","90","","90","","2939.6","1.1","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 6-acetamido-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-4-carboxylate","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C120 H160 N16 O32 -","8","1","JH2200","Gu, Xiao-Bo","<i>tert</i>-Butyl 6-acetamido-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-4-carboxylate","Acta Crystallographica Section E","2010","66","10","o2600","","10.1107/S1600536810036937","","","0.71073","MoKα","","0.0568","0.0482","","","0.1086","0.1143","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227731","13.098","0.0003","7.179","0.0001","16.329","0.0003","90","","90","","90","","1535.42","0.05","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2,5-Dichloro-3-thienyl)ethanone","","- C6 H4 Cl2 O S -","- C6 H4 Cl2 O S -","- C48 H32 Cl16 O8 S8 -","8","1","JJ2050","Harrison, William T. A.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.; Narayana, B.","1-(2,5-Dichloro-3-thienyl)ethanone: infinite sheets mediated by O···Cl halogen bonds","Acta Crystallographica Section E","2010","66","10","o2480","","10.1107/S1600536810035154","","","0.71073","MoKα","","0.0373","0.0312","","","0.0748","0.0781","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227760","12.0007","0.0003","9.6314","0.0002","29.4627","0.0008","90","","90","","90","","3405.4","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Isopropyl-6-methyl-2-phenylquinoline-3-carboxamide","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","LH5101","Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","<i>N</i>-Isopropyl-6-methyl-2-phenylquinoline-3-carboxamide","Acta Crystallographica Section E","2010","66","9","o2304","o2305","10.1107/S1600536810031582","","","0.71073","MoKα","","0.0705","0.0496","","","0.1406","0.1569","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227786","10.866","0.002","7.9654","0.0016","30.62","0.006","90","","90","","90","","2650.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C112 H120 N24 O16 -","8","1","LH5131","Li, Yu-Feng; Meng, Fan-Yong","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide","Acta Crystallographica Section E","2010","66","10","o2696","","10.1107/S1600536810037244","","","0.71073","MoKα","","0.1364","0.0506","","","0.11","0.1426","","","","","","0.746","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227809","10.4","0.001","12.165","0.0015","15.37","0.002","90","","90","","90","","1944.6","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","LX2156","Shi, Daxin; Yang, Liupan; Tang, Jianhong; Wang, Xiuzhen; Li, Jiarong","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]-4'(3'<i>H</i>)-one","Acta Crystallographica Section E","2010","66","9","o2301","","10.1107/S1600536810027479","","","0.71075","MoKα","","0.0427","0.0395","","","0.0999","0.1026","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227830","14.888","0.0001","17.398","0.0001","24.922","0.0002","90","","90","","90","","6455.33","0.08","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dichloridobis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II)","","- C12 H20 Cl2 Co N4 -","- C12 H20 Cl2 Co N4 -","- C192 H320 Cl32 Co16 N64 -","16","2","NG5017","Lyubartseva, Ganna; Parkin, Sean","Dichloridobis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II)","Acta Crystallographica Section E","2010","66","9","m1134","","10.1107/S160053681003254X","","","0.71073","MoKα","","0.0616","0.0433","","","0.1017","0.1108","","","","","","1.146","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227862","10.0597","0.0009","15.0623","0.0012","20.306","0.002","90","","90","","90","","3076.8","0.5","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Acridinium 3-carboxypyrazine-2-carboxylate","","- C19 H13 N3 O4 -","- C19 H13 N3 O4 -","- C152 H104 N24 O32 -","8","1","OM2349","Attar Gharamaleki, Jafar; Derikvand, Zohreh; Stoeckli-Evans, Helen","Acridinium 3-carboxypyrazine-2-carboxylate","Acta Crystallographica Section E","2010","66","9","o2231","","10.1107/S1600536810030588","","","0.71073","MoKα","","0.0667","0.0355","","","0.0738","0.0799","","","","","","0.876","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227885","12.3272","0.0002","11.34425","0.00019","20.5729","0.0004","90","","90","","90","","2876.97","0.09","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-({3-[(3-Aminopropyl)amino]propyl}iminomethyl)phenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>'',<i>N</i>''']bromidocopper(II)","","- C13 H20 Br Cu N3 O -","- C13 H20 Br Cu N3 O -","- C104 H160 Br8 Cu8 N24 O8 -","8","1","PB2044","Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma","[2-({3-[(3-Aminopropyl)amino]propyl}iminomethyl)phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>'',<i>N</i>''']bromidocopper(II)","Acta Crystallographica Section E","2010","66","11","m1475","","10.1107/S1600536810042923","","","1.54184","CuKα","","0.04","0.0387","","","0.0949","0.0956","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227890","17.3634","0.0015","9.2438","0.0008","22.882","0.002","90","","90","","90","","3672.6","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(9-Anthrylmethylidene)-<i>p</i>-toluenesulfonohydrazide","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C176 H144 N16 O16 S8 -","8","1","PK2262","Asiri, Abdullah M.; Zayed, Mohie E. M.; Ng, Seik Weng","(<i>E</i>)-<i>N</i>'-(9-Anthrylmethylidene)-<i>p</i>-toluenesulfonohydrazide","Acta Crystallographica Section E","2010","66","9","o2361","","10.1107/S160053681003271X","","","0.71073","MoKα","","0.0615","0.0395","","","0.0915","0.104","","","","","","1.023","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227913","14.7512","0.0016","13.1406","0.0015","16.6188","0.0019","90","","90","","90","","3221.4","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II)","","- C13 H19 Cd Cl2 N3 O -","- C13 H19 Cd Cl2 N3 O -","- C104 H152 Cd8 Cl16 N24 O8 -","8","1","PV2318","Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II)","Acta Crystallographica Section E","2010","66","9","m1131","","10.1107/S1600536810032563","","","0.71073","MoKα","","0.0196","0.0169","","","0.0428","0.0445","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227964","11.513","0.002","7.898","0.002","30.359","0.003","90","","90","","90","","2760.5","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-<i>N</i>'-(3-pyridylmethylidene)benzohydrazide","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C120 H128 N32 O8 -","8","1","RZ2491","Ding, Yan-Wei; Ni, Li-Li","4-Dimethylamino-<i>N</i>'-(3-pyridylmethylidene)benzohydrazide","Acta Crystallographica Section E","2010","66","10","o2636","","10.1107/S1600536810037670","","","0.71073","MoKα","","0.1594","0.0584","","","0.1243","0.1508","","","","","","0.791","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227972","13.3835","0.0005","13.0127","0.0004","18.6943","0.0007","90","","90","","90","","3255.7","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine- <i>N</i>,<i>N</i>,<i>N</i>'-triacetato]dysprosium(III)] trihydrate]","","- C10 H19 Dy N2 O11 -","- C10 H19 Dy N2 O11 -","- C80 H152 Dy8 N16 O88 -","8","1","RZ2501","Zhuang, Xiaomei; Long, Qingping; Wang, Jun","Poly[[[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]dysprosium(III)] trihydrate]","Acta Crystallographica Section E","2010","66","11","m1436","","10.1107/S1600536810041784","","","0.71073","MoKα","","0.0405","0.024","","","0.0561","0.0608","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228002","12.7395","0.0009","11.4906","0.0006","18.6968","0.001","90","","90","","90","","2736.9","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methoxyphenyl)-4-methylbenzenesulfonamide","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C112 H120 N8 O24 S8 -","8","1","SJ5047","Khan, Islam Ullah; Sheikh, Tahir Ali; Arshad, Muhammad Nadeem","<i>N</i>-(2-Methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","11","o2976","","10.1107/S1600536810042984","","","0.71073","MoKα","","0.1709","0.0503","","","0.1016","0.1434","","","","","","0.911","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228033","14.0955","0.0014","6.1295","0.0006","36.119","0.004","90","","90","","90","","3120.6","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C160 H120 Br8 O16 -","8","1","TK2699","Harrison, William T. A.; Mayekar, A. N.; Yathirajan, H. S.; Narayana, B.","(2<i>E</i>)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","10","o2552","","10.1107/S1600536810035117","","","0.71073","MoKα","","0.1958","0.0822","","","0.1257","0.1632","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228098","7.9221","0.0008","12.0951","0.0012","20.2989","0.0018","90","","90","","90","","1945","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridine-2,4-dicarboxylato)- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^- bis[triaquamagnesium(II)]","","- C14 H18 Mg2 N2 O14 -","- C14 H18 Mg2 N2 O14 -","- C56 H72 Mg8 N8 O56 -","4","0.5","XU5007","Zhang, Qing-Fu; Han, Dan-Dan; Pang, Jian-Dong; Meng, Ning-Ning","Bis(μ-pyridine-2,4-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^-bis[triaquamagnesium(II)]","Acta Crystallographica Section E","2010","66","9","m1067","","10.1107/S1600536810030722","","","0.71073","MoKα","","0.0606","0.0404","","","0.0877","0.0999","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228134","17.8734","0.0005","10.4297","0.0002","18.9578","0.0004","90","","90","","90","","3534","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Allyl-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H17 N3 O S -","- C20 H17 N3 O S -","- C160 H136 N24 O8 S8 -","8","1","XU5047","Chakib, Imane; Zerzouf, Abdelfettah; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","1-Allyl-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2010","66","11","o2842","","10.1107/S1600536810040316","","","0.71073","MoKα","","0.0849","0.05","","","0.143","0.1719","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228151","6.8473","0.0009","12.1307","0.0015","19.43","0.003","90","","90","","90","","1613.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dichloropyridine-3,5-dicarbonitrile","","- C7 H Cl2 N3 -","- C7 H Cl2 N3 -","- C56 H8 Cl16 N24 -","8","1","YA2129","Woiczechowski-Pop, Adrian; Varga, Richard A.; Terec, Anamaria; Grosu, Ion","2,6-Dichloropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2010","66","10","o2638","","10.1107/S160053681003758X","","","0.71073","MoKα","","0.073","0.067","","","0.13","0.133","","","","","","1.29","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228167","15.269","0.004","7.167","0.002","17.136","0.005","90","","90","","90","","1875.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-(o-formylphenoxy) propanoic acid","3-(2-formylphenoxy)propanoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","ZL2308","Collas, Alain; Vande Velde, Christophe M. L.; Blockhuys, Frank","3-(2-Formylphenoxy)propanoic acid","Acta Crystallographica Section E","2010","66","10","o2662","","10.1107/S1600536810038079","","","0.71073","MoKα","","0.1263","0.0467","","","0.0947","0.1185","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228202","12.29","0.003","7.1302","0.0014","20.304","0.004","90","","90","","90","","1779.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium iodide","","- C7 H10 I N O -","- C7 H10 I N O -","- C56 H80 I8 N8 O8 -","8","1","BG2356","Xu, Rui-jun","4-Methoxyanilinium iodide","Acta Crystallographica Section E","2010","66","12","o3316","","10.1107/S1600536810047549","","","0.71073","MoKα","","0.037","0.0315","","","0.0636","0.0653","","","","","","1.247","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228213","7.513","0.0015","19.127","0.004","21.366","0.004","90","","90","","90","","3070.3","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Dibenzylpiperazine","","- C18 H22 N2 -","- C18 H22 N2 -","- C144 H176 N16 -","8","1","BH2322","Zhang, Meng; Zhou, Yong-hong; Hu, Li-hong; Yang, Xiao-hui","1,4-Dibenzylpiperazine","Acta Crystallographica Section E","2010","66","12","o3336","","10.1107/S1600536810049111","","","0.71073","MoKα","","0.1009","0.0517","","","0.1187","0.1406","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228238","12.578","0.002","7.546","0.0008","30.194","0.003","90","","90","","90","","2865.8","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","<i>N</i>-(4-chloropyridin-2-yl)-<i>N</i>-tosylacetamide","<i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide","","- C14 H13 Cl N2 O3 S -","- C14 H13 Cl N2 O3 S -","- C112 H104 Cl8 N16 O24 S8 -","8","1","BT5410","Bühler, Stefanie; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan","<i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2010","66","12","o3320","","10.1107/S1600536810048324","","","1.54178","CuKα","","0.0558","0.0485","","","0.1248","0.1294","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228257","11.98","0.002","10.965","0.002","30.3","0.03","90","","90","","90","","3980","4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(3-Methylpiperidin-1-yl)(3-nitrophenyl)methyl]naphthalen-2-ol","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C184 H192 N16 O24 -","8","1","BX2327","Chen, Jin Mei; Zhao, Hong","1-[(3-Methylpiperidin-1-yl)(3-nitrophenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2010","66","12","o3118","","10.1107/S1600536810045149","","","0.71073","MoKα","","0.1386","0.0832","","","0.153","0.1737","","","","","","1.122","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228262","13.181","0.005","8.494","0.003","22.692","0.008","90","","90","","90","","2540.6","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(5,6-Dibromo-7-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol","","- C13 H9 Br2 N3 O -","- C13 H9 Br2 N3 O -","- C104 H72 Br16 N24 O8 -","8","1","CV2784","Wang, Haixia","2-(5,6-Dibromo-7-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol","Acta Crystallographica Section E","2010","66","12","o3132","","10.1107/S1600536810045277","","","0.71073","MoKα","","0.0624","0.0428","","","0.1242","0.1383","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228289","8.258","0.001","10.074","0.001","29.201","0.003","90","","90","","90","","2429.3","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[2-(1<i>H</i>-Benzimidazol-2-ylsulfanyl)ethyl]-1,3-oxazolidin-2-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","1","DN2620","Moussaif, Ahmed; Essassi, El Mokhtar; Lazar, Said; Zouihri, Hafid; Leger, Jean Michel","3-[2-(1<i>H</i>-Benzimidazol-2-ylsulfanyl)ethyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2010","66","12","o3137","","10.1107/S1600536810045897","","","1.5418","CuKα","","0.0687","0.0479","","","0.1187","0.1381","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228302","15.7951","0.0017","7.4122","0.0008","19.007","0.002","90","","90","","90","","2225.3","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethyl(2-oxo-2-phenylethyl)sulfanium bromide","","- C10 H13 Br O S -","- C10 H13 Br O S -","- C80 H104 Br8 O8 S8 -","8","1","FB2228","Cao, Zhiling; Liu, Weiwei; Yin, Fujun","Dimethyl(2-oxo-2-phenylethyl)sulfanium bromide","Acta Crystallographica Section E","2010","66","12","o3197","","10.1107/S1600536810046404","","","0.71073","MoKα","","0.0391","0.027","","","0.0642","0.0698","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228304","19.7113","0.0006","15.9564","0.0005","20.3318","0.0006","90","","90","","90","","6394.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triphenylphosphine)iminium bromide acetonitrile monosolvate","","- C38 H33 Br N2 P2 -","- C38 H33 Br N2 P2 -","- C304 H264 Br8 N16 P16 -","8","1","FI2100","Knapp, Carsten; Uzun, Rabiya","Bis(triphenylphosphine)iminium bromide acetonitrile monosolvate","Acta Crystallographica Section E","2010","66","12","o3186","","10.1107/S1600536810046337","","","0.71073","MoKα","","0.0512","0.0344","","","0.0785","0.0849","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228320","14.6869","0.0001","20.6499","0.0002","21.0082","0.0002","90","","90","","90","","6371.43","0.1","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-Oxido-bis{[2,2-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)acetato-\ κ^3^<i>N</i>^2^,<i>O</i>,<i>N</i>^2'^]chloridooxidomolybdenum(V)} monohydrate","","- C24 H32 Cl2 Mo2 N8 O8 -","- C24 H32 Cl2 Mo2 N8 O8 -","- C192 H256 Cl16 Mo16 N64 O64 -","8","1","GK2307","Golobič, Amalija; Čeh, Boris","μ-Oxido-bis{[2,2-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)acetato-κ^3^<i>N</i>^2^,<i>O</i>,<i>N</i>^2'^]chloridooxidomolybdenum(V)} monohydrate","Acta Crystallographica Section E","2010","66","12","m1648","m1649","10.1107/S1600536810045393","","","0.71073","MoKα","","0.067","0.038","","0.039","","0.028","","","1.416","","","1.16","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228325","13.189","0.005","16.363","0.006","18.039","0.005","90","","90","","90","","3893","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Phenylsulfonyl-2,3-dihydro-7<i>H</i>- 1,4-benzodioxino[6,7-<i>b</i>]carbazole","","- C24 H17 N O4 S -","- C24 H17 N O4 S -","- C192 H136 N8 O32 S8 -","8","1","GK2320","Kanchanadevi, J.; Dhayalan, V.; Mohanakrishnan, A. K.; Anbalagan, G.; Chakkaravarthi, G.; Manivannan, V.","7-Phenylsulfonyl-2,3-dihydro-7<i>H</i>-1,4-benzodioxino[6,7-<i>b</i>]carbazole","Acta Crystallographica Section E","2010","66","12","o3264","o3265","10.1107/S1600536810047343","","","0.71073","MoKα","","0.062","0.0406","","","0.1101","0.124","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228373","11.309","0.002","7.6693","0.0015","24.684","0.005","90","","90","","90","","2140.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-benzylidenecarbazate","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HB5754","Jiang, Jin-He","Ethyl 3-benzylidenecarbazate","Acta Crystallographica Section E","2010","66","12","o3337","","10.1107/S1600536810048865","","","0.71073","MoKα","","0.1441","0.067","","","0.1587","0.2057","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228396","15.028","0.002","11.7488","0.0017","22.765","0.003","90","","90","","90","","4019.4","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[1,9-Dicarbonyl-2,8-dioxo-5-(4-methyl)phenyl-N[9]ester]ferrocenophane","6-(4-Methylphenyl)-2,10-dioxo-3,9-dioxa-6-aza-1(1,1')-ferrocenacyclodecaphane","","- C23 H23 Fe N O4 -","- C23 H23 Fe N O4 -","- C184 H184 Fe8 N8 O32 -","8","1","HY2361","Leng, Xin; Yang, Bingqin; Cui, Lin; Liu, Bo","6-(4-Methylphenyl)-2,10-dioxo-3,9-dioxa-6-aza-1(1,1')-ferrocenacyclodecaphane","Acta Crystallographica Section E","2010","66","12","m1528","","10.1107/S1600536810043278","","","0.71073","MoKα","","0.0704","0.0426","","","0.1103","0.1281","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228398","12.548","0.005","19.558","0.008","23.07","0.01","90","","90","","90","","5662","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol- 2-yl)nicotinato]cobalt(II)","","- C26 H32 Co N6 O8 -","- C26 H32 Co N6 O8 -","- C208 H256 Co8 N48 O64 -","8","1","HY2369","Zhang, Zhong; Liu, Ji-Zhong; Gao, Peng; Huang, Zhong-Jing","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)nicotinato]cobalt(II)","Acta Crystallographica Section E","2010","66","12","m1544","m1545","10.1107/S1600536810044715","","","0.71073","MoKα","","0.1109","0.0525","","","0.1234","0.1418","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228406","12.62","0.003","19.753","0.004","23.017","0.005","90","","90","","90","","5738","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>- imidazol-2-yl-κ<i>N</i>^3^)nicotinato-κ<i>N</i>]manganese(II)","","- C26 H32 Mn N6 O8 -","- C26 H32 Mn N6 O8 -","- C208 H256 Mn8 N48 O64 -","8","1","HY2382","Gao, Peng; Liu, Ji-Zhong; Zhang, Zhong; Huang, Zhong-Jing","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)nicotinato-κ<i>N</i>]manganese(II)","Acta Crystallographica Section E","2010","66","12","m1668","","10.1107/S1600536810048506","","","0.71073","MoKα","","0.1003","0.0567","","","0.1353","0.1786","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228420","5.7599","0.0003","17.1233","0.0008","30.1983","0.0013","90","","90","","90","","2978.4","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3-Dibromo-1,3-bis(4-chlorophenyl)propan-1-one","","- C15 H10 Br2 Cl2 O -","- C15 H10 Br2 Cl2 O -","- C120 H80 Br16 Cl16 O8 -","8","1","IS2626","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna","2,3-Dibromo-1,3-bis(4-chlorophenyl)propan-1-one","Acta Crystallographica Section E","2010","66","12","o3131","","10.1107/S1600536810045022","","","0.71073","MoKα","","0.0638","0.0531","","","0.1247","0.1296","","","","","","1.123","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228506","7.3788","0.0009","16.757","0.002","21.53","0.002","90","","90","","90","","2662.1","0.5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 2-(4-chlorobenzamido)benzoate","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","1","OM2376","Khan, Islam Ullah; Şahin, Onur; Javaid, Rashid; Sharif, Shahzad; Büyükgüngör, Orhan","Methyl 2-(4-chlorobenzamido)benzoate","Acta Crystallographica Section E","2010","66","12","o3338","","10.1107/S160053681004897X","","","0.71073","MoKα","","0.2324","0.0586","","","0.0877","0.1336","","","","","","0.967","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228521","12.4341","0.0016","13.7227","0.0018","16.15","0.002","90","","90","","90","","2755.7","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Triethylammonium 3,4-dihydroxybenzoate","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C104 H168 N8 O32 -","8","1","PV2348","Zhu, Li-Cai","Triethylammonium 3,4-dihydroxybenzoate","Acta Crystallographica Section E","2010","66","12","o3092","","10.1107/S1600536810044764","","","0.71073","MoKα","","0.0484","0.0371","","","0.0977","0.1066","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228548","7.8631","0.0001","20.0583","0.0003","20.7259","0.0003","90","","90","","90","","3268.9","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(Anthracen-9-yl)-1-(2-bromophenyl)prop-2-en-1-one","","- C23 H15 Br O -","- C23 H15 Br O -","- C184 H120 Br8 O8 -","8","1","RZ2527","Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Joothamongkhon, Jaruwan; Chantrapromma, Suchada","(<i>E</i>)-3-(Anthracen-9-yl)-1-(2-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","12","o3312","o3313","10.1107/S1600536810048476","","","0.71073","MoKα","","0.0444","0.0298","","","0.0682","0.0732","","","","","","1.023","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228552","6.7353","0.0001","16.1393","0.0003","25.9549","0.0004","90","","90","","90","","2821.38","0.08","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","carbazole","(<i>E</i>)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1<i>H</i>- carbazol-1-one","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","1","SI2306","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","(<i>E</i>)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2010","66","12","o3145","","10.1107/S1600536810045599","","","1.54184","CuKα","","0.0615","0.0502","","","0.1447","0.1572","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228560","11.9535","0.0008","17.0116","0.0012","18.9219","0.0014","90","","90","","90","","3847.7","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Diethyl 2,5-diphenylfuran-3,4-dicarboxylate","","- C22 H20 O5 -","- C22 H20 O5 -","- C176 H160 O40 -","8","1","SJ5048","Hu, Sheng-Li; Le, Yi-Cheng; Huang, Ling","Diethyl 2,5-diphenylfuran-3,4-dicarboxylate","Acta Crystallographica Section E","2010","66","12","o3116","","10.1107/S1600536810045241","","","0.71073","MoKα","","0.1305","0.0583","","","0.1303","0.1604","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228578","13.386","0.006","9.247","0.004","26.443","0.01","90","","90","","90","","3273","2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(9-Ethyl-9H-carbazol-3-yl)iminomethyl]phenol","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","VM2053","Lin, Songzhu; Jia, Ruokun; Gao, Xiaoli; Yu, Haihui; Yuan, Yanlin","4-[(9-Ethyl-9<i>H</i>-carbazol-3-yl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","12","o3194","","10.1107/S1600536810046167","","","0.71073","MoKα","","0.1084","0.0497","","","0.1122","0.1398","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228581","15.9875","0.0006","7.6354","0.0003","16.9963","0.0006","90","","90","","90","","2074.75","0.13","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>c</i>]thiophene- 4,8-dione","","- C11 H12 O2 S -","- C11 H12 O2 S -","- C88 H96 O16 S8 -","8","1","VM2059","Yu, Lijuan; Yin, Yinghui; Zhou, Xiaole; Li, Renjie; Peng, Tianyou","1,3-Dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>c</i>]thiophene-4,8-dione","Acta Crystallographica Section E","2010","66","12","o3231","","10.1107/S1600536810047331","","","0.71073","MoKα","","0.0519","0.0392","","","0.0995","0.1087","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228613","14.7356","0.0008","9.953","0.0012","15.7981","0.0012","90","","90","","90","","2317","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Benzoyl-1<i>H</i>-benzimidazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","XU5084","Ai, Lin; Shen, Xiu-Min; Ng, Seik Weng","2-Benzoyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2010","66","12","o3164","","10.1107/S1600536810045666","","","0.71073","MoKα","","0.0606","0.0392","","","0.1006","0.115","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228614","7.0107","0.0016","12.655","0.003","37.609","0.009","90","","90","","90","","3336.7","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-Morpholinopropyl)-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-b]quinolin-1-one monohydrate","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C144 H184 N24 O24 -","8","1","XU5085","Long, Yu-Hua; Zhou, Ting; Yang, Ding-Qiao; Wang, Wen-Ling; Zhang, Han-Mei","2-(3-Morpholinopropyl)-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>b</i>]quinolin-1-one monohydrate","Acta Crystallographica Section E","2010","66","12","o3180","","10.1107/S1600536810046349","","","0.71073","MoKα","","0.0926","0.0565","","","0.1227","0.1437","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228658","9.4604","0.0019","17.785","0.004","18.879","0.004","90","","90","","90","","3176.5","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","","- C15 H14 Cl F4 N O -","- C15 H14 Cl F4 N O -","- C120 H112 Cl8 F32 N8 O8 -","8","1","BT5406","Yan, Fan-Yong; Liu, Dong-Qing; Wen, Jing-Yun; Gao, Yun-Ying; Li, Ai-Mei","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","1","o60","","10.1107/S1600536810050464","","","0.71073","MoKα","","0.0612","0.0491","","","0.1265","0.1352","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228659","18.454","0.004","9.335","0.0019","18.981","0.004","90","","90","","90","","3269.8","1.2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","","- C15 H14 Cl2 F3 N O -","- C15 H14 Cl2 F3 N O -","- C120 H112 Cl16 F24 N8 O8 -","8","1","BT5407","Liu, Dong-Qing; Yan, Fan-Yong; Gao, Yun-Ying; Guo, Lei; Kong, Zi","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","1","o61","","10.1107/S1600536810050634","","","0.71073","MoKα","","0.0518","0.0441","","","0.1099","0.1151","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228667","8.56","0.0004","14.5379","0.0005","23.3751","0.0009","90","","90","","90","","2908.9","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II)","","- C12 H8 Br2 N4 Zn -","- C12 H8 Br2 N4 Zn -","- C96 H64 Br16 N32 Zn8 -","8","1","BT5431","Ghiasi, Reza","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II)","Acta Crystallographica Section E","2011","67","1","m101","","10.1107/S1600536810051342","","","0.71073","MoKα","","0.0593","0.0349","","","","0.07","","","","","","0.973","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228779","11.812","0.003","7.4687","0.0016","33.233","0.007","90","","90","","90","","2931.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(3<i>E</i>,5<i>E</i>)-3,5-bis(4-hydroxybenzylidene)-tetrahydropyran-4-one","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","JH2219","Du, Zhi-Yun; Huang, Hua-Rong; Lu, Yu-Jun; Zhang, Kun; Fang, Yan-Xiong","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one","Acta Crystallographica Section E","2011","67","1","o116","","10.1107/S1600536810051457","","","0.71073","MoKα","","0.09","0.0453","","","0.105","0.124","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228786","18.3806","0.0005","8.1155","0.0002","30.4715","0.0005","90","","90","","90","","4545.37","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3- methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate","","- C22.5 H24.5 N5.5 O4.5 S -","- C22.5 H24.5 N5.5 O4.5 S -","- C180 H196 N44 O36 S8 -","8","1","JH2242","Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate","Acta Crystallographica Section E","2011","67","1","o216","o217","10.1107/S1600536810052177","","","0.71073","MoKα","","0.0975","0.0564","","","0.1072","0.1247","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228801","13.454","0.003","7.6303","0.0015","24.305","0.005","90","","90","","90","","2495.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]thiophene-2-carbohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","LH5171","Jiang, Jin-He","<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2011","67","1","o32","","10.1107/S1600536810050002","","","0.71073","MoKα","","0.1307","0.0501","","","0.0989","0.1262","","","","","","0.893","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228825","17.1797","0.0006","10.0736","0.0004","17.47","0.0007","90","","90","","90","","3023.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","1","NG5077","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara","<i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate","Acta Crystallographica Section E","2011","67","1","o55","","10.1107/S1600536810050300","","","0.71073","MoKα","","0.0606","0.0387","","","0.0877","0.0924","","","","","","0.939","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228834","11.0801","0.0003","10.9095","0.0003","29.2474","0.0007","90","","90","","90","","3535.38","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-enecarboxylate","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C144 H176 Cl8 N8 O24 -","8","1","OM2378","Alexander, Mariano S.; North, Henry; Scott, Kenneth R.; Butcher, Ray J.","<i>tert</i>-Butyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-enecarboxylate","Acta Crystallographica Section E","2011","67","1","o224","","10.1107/S1600536810051743","","","0.71073","MoKα","","0.0663","0.0547","","","0.1636","0.1717","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228840","9.0406","0.0002","17.8177","0.0005","25.9964","0.0006","90","","90","","90","","4187.57","0.18","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one","","- C22 H16 Cl2 N2 O5 -","- C22 H16 Cl2 N2 O5 -","- C176 H128 Cl16 N16 O40 -","8","1","OM2390","Akkurt, Mehmet; Türktekin, Sevim; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi; Büyükgüngör, Orhan","3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one","Acta Crystallographica Section E","2011","67","1","o183","","10.1107/S1600536810052645","","","0.71073","MoKα","","0.0669","0.0468","","","0.1184","0.1287","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228847","12.445","0.0003","14.3866","0.0003","24.1913","0.0005","90","","90","","90","","4331.24","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile","","- C26 H19 Cl N2 O -","- C26 H19 Cl N2 O -","- C208 H152 Cl8 N16 O8 -","8","1","PV2363","Du, Bai-Xiang; Zhou, Jie; Li, Yu-Ling; Wang, Xiang-Shan","2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile","Acta Crystallographica Section E","2011","67","1","o62","","10.1107/S1600536810050622","","","0.71073","MoKα","","0.0889","0.0486","","","0.1307","0.1531","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228878","14.208","0.003","6.5159","0.0013","21.722","0.004","90","","90","","90","","2011","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua-μ~3~-4-nitrophthalato-copper(II)]","","- C8 H7 Cu N O8 -","- C8 H7 Cu N O8 -","- C64 H56 Cu8 N8 O64 -","8","1","SJ5060","Guo, Ming-Lin","Poly[diaqua-μ~3~-4-nitrophthalato-copper(II)]","Acta Crystallographica Section E","2011","67","1","m21","m22","10.1107/S1600536810049792","","","0.71073","MoKα","","0.06","0.0481","","","0.1378","0.1441","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228904","13.0931","0.0001","14.5865","0.0001","20.8724","0.0002","90","","90","","90","","3986.26","0.06","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)","","- C16 H27 Br N O5 Re -","- C16 H27 Br N O5 Re -","- C128 H216 Br8 N8 O40 Re8 -","8","1","WM2432","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)","Acta Crystallographica Section E","2011","67","1","m34","m35","10.1107/S1600536810050105","","","0.71073","MoKα","","","0.0191","","","","0.0466","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228946","9.4239","0.0004","15.7574","0.0006","23.5398","0.0008","90","","90","","90","","3495.6","0.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","methylbenzoxazole diphenylphosphinate","2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate","","- C20 H16 N O3 P -","- C20 H16 N O3 P -","- C160 H128 N8 O24 P8 -","8","1","BH2332","Kleinhans, Dewald J.","2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate","Acta Crystallographica Section E","2011","67","2","o339","","10.1107/S1600536811000420","","","0.71073","MoKα","","0.1003","0.0467","","","0.096","0.1191","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228972","9.0791","0.0014","14.035","0.002","17.165","0.002","90","","90","","90","","2187.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato- κ^2^<i>O</i>,<i>O</i>)copper(II)","","- C6 H7 Br Cu N2 O7 -","- C6 H7 Br Cu N2 O7 -","- C48 H56 Br8 Cu8 N16 O56 -","8","1","BT5450","Silva, Joana A.; Pereira Magalhães, Ana; Ramos Silva, Manuela; Sobral, Abílio J. F. N.; Pereira, Laura C. J.","Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","2","m160","","10.1107/S160053681100064X","","","0.71073","MoKα","","0.0998","0.0377","","","0.0858","0.137","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228995","11.8724","0.0003","7.1308","0.0001","20.0592","0.0004","90","","90","","90","","1698.21","0.06","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sr(C8 H6 O5)","Poly[μ-aqua-μ~4~-terephthalato-strontium]","","- C8 H6 O5 Sr -","- C8 H6 O5 Sr -","- C64 H48 O40 Sr8 -","8","1","BX2340","Yang, Lei; Zhao, Dan; Li, Guanghua","Poly[μ-aqua-μ~4~-terephthalato-strontium]","Acta Crystallographica Section E","2011","67","2","m282","","10.1107/S1600536810054486","","","0.71073","MoKα","","0.0421","0.027","","","0.0572","0.0621","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229015","13.5307","0.0012","9.7992","0.0009","24.114","0.002","90","","90","","90","","3197.3","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)","","- C28 H40 Cu N6 O4 S2 -","- C28 H40 Cu N6 O4 S2 -","- C112 H160 Cu4 N24 O16 S8 -","4","0.5","CV5037","Yuan, Lin","Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)","Acta Crystallographica Section E","2011","67","2","m201","","10.1107/S1600536811001322","","","0.71073","MoKα","","0.1091","0.078","","","0.1322","0.1431","","","","","","1.152","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229040","14.414","0.008","12.976","0.007","16.115","0.009","90","","90","","90","","3014","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate)","","- C7 H15 Cl F12 N2 P2 -","- C7 H15 Cl F12 N2 P2 -","- C56 H120 Cl8 F96 N16 P16 -","8","1","FJ2377","Zhu, Run-Qiang","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","2","o346","","10.1107/S1600536811000390","","","0.71073","MoKα","","0.061","0.056","","","0.1422","0.1459","","","","","","1.239","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229042","9.988","0.003","6.4547","0.0017","19.184","0.006","90","","90","","90","","1236.8","0.6","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide","","- C5 H5 N3 O3 -","- C5 H5 N3 O3 -","- C40 H40 N24 O24 -","8","1","FJ2382","Liu, Long; He, Chunlin; Li, Zengxi; Li, Chunshan; Zhang, Xiangping; Zhang, Suojiang","<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section E","2011","67","2","o479","","10.1107/S1600536811002455","","","0.71073","MoKα","","0.0544","0.0431","","","0.0986","0.1056","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229047","16.407","0.0006","11.3751","0.0004","18.749","0.0007","90","","90","","90","","3499.1","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Cyclohexyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C168 H168 F8 O16 S8 -","8","1","FL2333","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o470","","10.1107/S1600536811002297","","","0.71073","MoKα","","0.0539","0.0401","","","0.1002","0.1117","","","","","","0.933","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229048","9.9789","0.0016","8.5633","0.0014","13.657","0.002","90","","90","","90","","1167","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1<i>H</i>-Pyrrole-2-carbohydrazide","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","FY2001","Wang, Lina; Liu, Xiangrong; Yang, Chun; Zhao, Shunsheng; Li, Kanshe","1<i>H</i>-Pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2011","67","2","o493","","10.1107/S1600536811002650","","","0.71073","MoKα","","0.0582","0.0428","","","0.1312","0.1463","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229059","7.169","0.0006","14.4303","0.0011","28.667","0.003","90","","90","","90","","2965.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C128 H128 Cl8 N8 O16 -","8","1","HB5773","Llovera, Ligia; Anzenbacher, Jr, Pavel; López, Simón E.; González, Teresa","1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one","Acta Crystallographica Section E","2011","67","2","o315","","10.1107/S1600536810054449","","","0.7107","MoKα","","0.1161","0.0769","","","0.1784","0.1981","","","","","","1.138","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229081","15.7277","0.0004","11.8351","0.0003","16.5247","0.0004","90","","90","","90","","3075.89","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","HG2782","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Akkurt, Mehmet","<i>N</i>-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2011","67","2","o303","o304","10.1107/S1600536811000432","","","0.71073","MoKα","","0.0632","0.0423","","","0.1071","0.1183","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229134","6.6181","0.0007","11.8477","0.0011","22.386","0.002","90","","90","","90","","1755.3","0.3","299","","299","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trisilver citrate","","- C6 H5 Ag3 O7 -","- C6 H5 Ag3 O7 -","- C48 H40 Ag24 O56 -","8","1","KP2301","Fischer, Andreas","Trisilver(I) citrate","Acta Crystallographica Section E","2011","67","2","m255","","10.1107/S160053681100239X","","","0.71073","MoKα","","0.061","0.032","","","0.045","0.051","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229191","11.3469","0.0007","19.5307","0.0012","27.3178","0.0016","90","","90","","90","","6054","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine- κ^3^<i>O</i>,<i>O</i>',<i>O</i>''}calcium bis(perchlorate) acetonitrile disolvate","","- C58 H66 Ca Cl2 N10 O14 -","- C58 H66 Ca Cl2 N10 O14 -","- C232 H264 Ca4 Cl8 N40 O56 -","4","0.5","PV2371","Kose, Muhammet; McKee, Vickie","Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-κ^3^<i>O</i>,<i>O</i>',<i>O</i>''}calcium bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","2","m149","","10.1107/S1600536810053961","","","0.71073","MoKα","","0.0479","0.039","","","0.103","0.1096","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229194","7.7163","0.0007","17.0786","0.0016","23.427","0.002","90","","90","","90","","3087.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethoxybenzylidene)naphthalen-1-amine","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","1","PV2375","Guo, Ailing; Zhang, Shurong; Liu, Xiaofang; Jiao, Jianhua","<i>N</i>-(2,3-Dimethoxybenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2011","67","2","o285","","10.1107/S1600536811000079","","","0.71073","MoKα","","0.1131","0.0479","","","0.1214","0.1866","","","","","","1.115","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229207","13.0352","0.0012","10.0882","0.0013","18.709","0.002","90","","90","","90","","2460.3","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato- κ^2^<i>O</i>:<i>O</i>']","","- C9 H14 O2 Se Sn -","- C9 H14 O2 Se Sn -","- C72 H112 O16 Se8 Sn8 -","8","1","RZ2544","Guo, Mengjie; Ru, Jing; Zhang, Rufen","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","2","m152","","10.1107/S1600536810054243","","","0.71073","MoKα","","0.0439","0.028","","","0.0626","0.0689","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229287","7.427","0.005","17.708","0.005","18.748","0.005","90","","90","","90","","2465.7","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Carboxyphenyl)-1<i>H</i>-imidazol-3-ium chloride dihydrate","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C80 H104 Cl8 N16 O32 -","8","1","XU5134","Yu, Zhi-Peng; Geng, Wen-Qian; Kong, Lin; Zhou, Hong-Ping","1-(4-Carboxyphenyl)-1<i>H</i>-imidazol-3-ium chloride dihydrate","Acta Crystallographica Section E","2011","67","2","o452","","10.1107/S1600536811001838","","","0.71069","MoKα","","0.0652","0.0398","","","0.1187","0.1455","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229291","11.26","0.002","11.888","0.002","18.978","0.004","90","","90","","90","","2540.4","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[1-(4-Chlorophenyl)ethyl]-1,3-thiazinane-2-thione","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C96 H112 Cl8 N8 S16 -","8","1","XU5140","Gong, Yuan-Yuan; Zhang, Peng; Wang, Ming-Hui","3-[1-(4-Chlorophenyl)ethyl]-1,3-thiazinane-2-thione","Acta Crystallographica Section E","2011","67","2","o514","","10.1107/S1600536811002078","","","0.71073","MoKα","","0.0451","0.0382","","","0.0847","0.0885","","","","","","1.108","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229313","17.604","0.004","10.199","0.002","19.241","0.004","90","","90","","90","","3454.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>rac</i>-4-Amino-1-(2-benzoyl-1-phenylethyl)-3-methyl-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H18 N4 O S -","- C18 H18 N4 O S -","- C144 H144 N32 O8 S8 -","8","1","ZS2086","Wang, Wei; Gao, Yan; Xiao, Zuo-bing; Yao, Hong-guo; Zhang, Jing-jing","<i>rac</i>-4-Amino-1-(2-benzoyl-1-phenylethyl)-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o348","","10.1107/S1600536810054255","","","0.71073","MoKα","","0.0685","0.0551","","","0.1292","0.1372","","","","","","1.131","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229419","10.9479","0.0002","11.347","0.0003","17.7392","0.0004","90","","90","","90","","2203.67","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","IS2676","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","1,3-Dimethyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2011","67","3","o633","","10.1107/S1600536811004922","","","0.71073","MoKα","","0.0521","0.0386","","","0.0946","0.1038","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229433","7.3061","0.0005","13.8392","0.0009","14.6799","0.001","90","","90","","90","","1484.29","0.17","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Chloro-2-methyl-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C56 H48 Cl8 N8 O16 -","8","1","JJ2075","Pearce, Matthew A.; Tanski, Joseph M.","1-Chloro-2-methyl-3-nitrobenzene","Acta Crystallographica Section E","2011","67","3","o608","","10.1107/S1600536811004466","","","0.71073","MoKα","","0.0374","0.0314","","","0.0855","0.0901","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229534","11.5329","0.0001","17.0104","0.0004","21.0021","0.0005","90","","90","","90","","4120.18","0.14","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]","","- C38 H36 Br6 Cu2 N2 O4 -","- C38 H36 Br6 Cu2 N2 O4 -","- C152 H144 Br24 Cu8 N8 O16 -","4","0.5","VN2002","Sangtrirutnugul, Preeyanuch; Haesuwannakij, Setsiri; Sooksimuang, Thanasat; Prabpai, Samran; Kongsaeree, Palangpon","Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]","Acta Crystallographica Section E","2011","67","3","m299","m300","10.1107/S1600536811003588","","","0.71073","MoKα","","0.065","0.0416","","","0.0957","0.1042","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229547","10.476","0.002","16.552","0.004","20.238","0.004","90","","90","","90","","3509.2","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C136 H168 N8 O56 -","8","1","XU5153","Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer","Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2011","67","3","o576","","10.1107/S1600536811004028","","","0.71073","MoKα","","0.1433","0.0697","","","0.1235","0.156","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229639","17.822","0.002","9.0616","0.0011","21.473","0.003","90","","90","","90","","3467.8","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>- imidazol-2-yl]palladium(II) methanol disolvate","","- C38 H40 N6 O4 Pd -","- C38 H40 N6 O4 Pd -","- C152 H160 N24 O16 Pd4 -","4","0.5","FJ2398","Lee, Hon Man; Chang, Yu-Chuan","<i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>-imidazol-2-yl]palladium(II) methanol disolvate","Acta Crystallographica Section E","2011","67","4","m467","","10.1107/S1600536811007768","","","0.71073","MoKα","","0.0731","0.0322","","","0.0706","0.0842","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229668","9.7197","0.0002","18.7729","0.0006","29.8372","0.0007","90","","90","","90","","5444.3","0.2","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato- κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)","","- C31 H23 Br N Ni O P S -","- C31 H23 Br N Ni O P S -","- C248 H184 Br8 N8 Ni8 O8 P8 S8 -","8","1","HB5813","Tamizh, M. Muthu; Karvembu, R.; Varghese, B.; Tiekink, Edward R. T.","{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2011","67","4","m441","","10.1107/S1600536811008907","","","0.71073","MoKα","","0.072","0.035","","","0.077","0.092","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229722","11.3091","0.0002","14.9442","0.0003","24.6045","0.0005","90","","90","","90","","4158.29","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-Diamino-1,2‒4 triazolium-bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","","- C16 H19 Cu N7 O11 -","- C16 H19 Cu N7 O11 -","- C128 H152 Cu8 N56 O88 -","8","1","IS2693","Yousuf, S.; Johnson, A. S.; Kazmi, S. A.; Offiong, O. E.; Fun, Hoong-Kun","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","Acta Crystallographica Section E","2011","67","4","m509","m510","10.1107/S1600536811011147","","","0.71073","MoKα","","0.0649","0.0386","","","0.0866","0.0976","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229730","16.641","0.003","13.616","0.002","23.238","0.004","90","","90","","90","","5265.4","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-<i>N</i>,2-\ dioxidobenzene-1-carboximidato)pentacopper(II)","","- C50 H70 Cu5 N8 O14 -","- C50 H70 Cu5 N8 O14 -","- C200 H280 Cu20 N32 O56 -","4","0.5","JJ2076","Herring, Jacob; Zeller, Matthias; Zaleski, Curtis M.","Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentacopper(II)","Acta Crystallographica Section E","2011","67","4","m419","m420","10.1107/S1600536811007975","","","0.71073","MoKα","","0.0635","0.0427","","","0.0958","0.1037","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229749","10.297","0.0003","10.0817","0.0003","33.5158","0.0011","90","","90","","90","","3479.32","0.18","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1,3-Benzothiazol-2-yl)guanidine","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C128 H128 N64 S16 -","16","2","LH5214","Mohamed, Shaaban Kamel; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Gurbanov, Atash V.; Ng, Seik Weng","2-(1,3-Benzothiazol-2-yl)guanidine","Acta Crystallographica Section E","2011","67","4","o786","","10.1107/S160053681100732X","","","0.71073","MoKα","","0.0487","0.0394","","","0.1023","0.1111","","","","","","1.127","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229857","15.1435","0.0001","8.4364","0.0001","22.9454","0.0002","90","","90","","90","","2931.43","0.05","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","TK2725","Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Narayana, B.","(2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o813","","10.1107/S1600536811007781","","","1.54184","CuKα","","0.05","0.0438","","","0.1262","0.1315","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229899","11.853","0.002","9.6507","0.0018","22.921","0.004","90","","90","","90","","2621.9","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide","","- C14 H10 Br F N2 O -","- C14 H10 Br F N2 O -","- C112 H80 Br8 F8 N16 O8 -","8","1","ZQ2093","Zhang, Dong-Fang; Liu, Da-Yong; Li, Chuan-Xun; Huang, Shan-Shan; Zhang, Bao-Jing","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide","Acta Crystallographica Section E","2011","67","4","o940","","10.1107/S1600536811009937","","","0.71073","MoKα","","0.0899","0.0432","","","0.0823","0.0958","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229902","9.2162","0.0014","10.0174","0.0014","35.051","0.005","90","","90","","90","","3236","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Picric acid‒2,4,6-trichloroaniline (1/1)","","- C12 H7 Cl3 N4 O7 -","- C12 H7 Cl3 N4 O7 -","- C96 H56 Cl24 N32 O56 -","8","1","ZS2097","Wang, Wan-Qiang","Picric acid‒2,4,6-trichloroaniline (1/1)","Acta Crystallographica Section E","2011","67","4","o860","","10.1107/S160053681100571X","","","0.71073","MoKα","","0.0886","0.0581","","","0.1105","0.1203","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229907","16.8864","0.0017","6.6653","0.0007","18.238","0.002","90","","90","","90","","2052.7","0.4","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","","- C11 H14 O3 -","- C11 H14 O3 -","- C88 H112 O24 -","8","1","BH2346","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","Acta Crystallographica Section E","2011","67","5","o1063","","10.1107/S1600536811011998","","","0.71073","MoKα","","0.1226","0.0535","","","0.126","0.1542","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229919","10.7864","0.0003","11.1264","0.0003","21.9775","0.0005","90","","90","","90","","2637.6","0.12","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C96 H96 Cl8 N24 O40 -","8","1","BT5492","Luo, Xun; Huang, Yun-Chuang; Gao, Chao; Yu, Luo-Ting","(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone","Acta Crystallographica Section E","2011","67","5","o1066","","10.1107/S1600536811011469","","","0.7107","MoKα","","0.0437","0.0331","","","0.0711","0.0765","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229955","6.498","0.0001","11.874","0.0001","20.5897","0.0002","90","","90","","90","","1588.64","0.03","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium formate","","- C5 H13 N O5 -","- C5 H13 N O5 -","- C40 H104 N8 O40 -","8","1","CV5073","Ren, Guo-Bin; Qi, Ming-Hui; Chen, Jin-Yao; Meng, Kun-Yan; Zhong, Jia-Liang","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium formate","Acta Crystallographica Section E","2011","67","5","o1264","","10.1107/S1600536811015534","","","1.54178","CuKα","","0.0355","0.0343","","","0.0933","0.0949","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229966","10.3992","0.0005","7.6402","0.0004","35.4173","0.0016","90","","90","","90","","2814","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dicarbonyl(η^5^-cyclopentadienyl)[2-(phenylsulfanyl)ethyl]iron(II)","","- C15 H14 Fe O2 S -","- C15 H14 Fe O2 S -","- C120 H112 Fe8 O16 S8 -","8","1","DN2676","Mkhize, Dennis S.; Nyamori, Vincent O.; Bala, Muhammad D.","Dicarbonyl(η^5^-cyclopentadienyl)[2-(phenylsulfanyl)ethyl]iron(II)","Acta Crystallographica Section E","2011","67","5","m644","","10.1107/S160053681101511X","","","0.71073","MoKα","","0.0862","0.0747","","","0.1493","0.1531","","","","","","1.262","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229994","7.4581","0.0009","16.848","0.0015","21.356","0.002","90","","90","","90","","2683.5","0.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile","","- C16 H10 Cl F N2 -","- C16 H10 Cl F N2 -","- C128 H80 Cl8 F8 N16 -","8","1","HB5823","Yang, Kun; Li, Pei-Fan; Liu, Yan; Fang, Zhi-Zhong","1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","5","o1041","","10.1107/S1600536811011214","","","0.71075","MoKα","","0.0509","0.0407","","","0.1059","0.1128","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230013","13.4757","0.0007","8.517","0.0006","24.6285","0.0017","90","","90","","90","","2826.7","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide","","- C14 H9 N3 O6 -","- C14 H9 N3 O6 -","- C112 H72 N24 O48 -","8","1","HB5852","Saeed, Sohail; Rashid, Naghmana; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide","Acta Crystallographica Section E","2011","67","5","o1194","","10.1107/S1600536811014450","","","0.71073","MoKα","","0.1167","0.0654","","","0.1708","0.2173","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230017","14.309","0.003","8.533","0.0017","19.432","0.004","90","","90","","90","","2372.6","0.8","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(3-Methoxyphenoxy)benzoic acid","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","HG5013","Zhang, Zhi-Fang","2-(3-Methoxyphenoxy)benzoic acid","Acta Crystallographica Section E","2011","67","5","o1078","","10.1107/S1600536811011019","","","0.71073","MoKα","","0.1439","0.0623","","","0.1103","0.1327","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230022","11.593","0.003","9.182","0.002","27.796","0.006","90","","90","","90","","2958.8","1.2","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-isopropyl-2-oxoacetamide","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","1","HG5020","Tang, Xiao-Wei; Zhu, Tie-Liang; Chen, Hong; Tian, Dan-Li; Shi, Shao-Yu","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-isopropyl-2-oxoacetamide","Acta Crystallographica Section E","2011","67","5","o1158","","10.1107/S1600536811012815","","","0.71073","MoKα","","0.0501","0.0471","","","0.1301","0.1329","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230049","14.526","0.004","8.957","0.003","27.126","0.008","90","","90","","90","","3529.3","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C184 H128 N16 O8 -","8","1","JH2278","Wei, Bin","2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile","Acta Crystallographica Section E","2011","67","5","o1209","","10.1107/S1600536811012724","","","0.71073","MoKα","","0.1186","0.0824","","","0.1902","0.2217","","","","","","1.244","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2230198","10.4695","0.0016","9.0346","0.0011","28.361","0.003","90","","90","","90","","2682.6","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate","","- C14 H11 Cl F N O2 -","- C14 H11 Cl F N O2 -","- C112 H88 Cl8 F8 N8 O16 -","8","1","ZJ2005","Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.","Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate","Acta Crystallographica Section E","2011","67","5","o1137","","10.1107/S1600536811012608","","","1.54184","CuKα","","0.1109","0.0703","","","0.1739","0.2341","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230291","22.1321","0.0015","13.8746","0.001","22.2594","0.0016","90","","90","","90","","6835.3","0.8","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate","","- C30 H32 Br4 Cd N4 O S2 -","- C30 H32 Br4.002 Cd N4 O S2 -","- C240 H256 Br32.016 Cd8 N32 O8 S16 -","8","1","DS2093","Manjunatha, M. N.; Ziaulla, Mohamed; Begum, Noor Shahina; Nagasundara, K. R.","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate","Acta Crystallographica Section E","2011","67","6","m771","","10.1107/S1600536811018058","","","0.71073","MoKα","","0.0526","0.0342","","","0.072","0.0791","","","","","","0.791","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230304","7.3339","0.0006","16.826","0.0014","26.677","0.002","90","","90","","90","","3291.9","0.5","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","FF2009","Cai, Yuepiao; Wang, Zhankun; Li, Zhe; Zhang, Meiling; Wu, Jianzhang","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1432","","10.1107/S1600536811017788","","","0.71073","MoKα","","0.039","0.0371","","","0.1054","0.1078","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230323","12.775","0.0006","13.587","0.0007","16.492","0.0009","90","","90","","90","","2862.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-5-cyclopropyl-9-methyl-5<i>H</i>-4,5,6,10- tetraazadibenzo[<i>a</i>,<i>d</i>]cyclohepten-11(10<i>H</i>)-one","","- C15 H13 Cl N4 O -","- C15 H13 Cl N4 O -","- C120 H104 Cl8 N32 O8 -","8","1","GK2369","Naveen, S.; Thimmegowda, N. R.; Manjunath, H. R.; Sridhar, M. A.; Prasad, J. Shashidhara; Rangappa, K. S.","7-Chloro-5-cyclopropyl-9-methyl-5<i>H</i>-4,5,6,10-tetraazadibenzo[<i>a</i>,<i>d</i>]cyclohepten-11(10<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1445","o1446","10.1107/S1600536811018022","","","0.71073","MoKα","","0.0476","0.0402","","","0.1081","0.1136","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230329","19.5365","0.0012","16.3544","0.001","21.3272","0.0013","90","","90","","90","","6814.2","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido- 2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^- pentamethylcyclopentadienyl)lithiumtantalum(V)","","- C34 H51 Cl Li N2 O Ta -","- C34 H51 Cl Li N2 O Ta -","- C272 H408 Cl8 Li8 N16 O8 Ta8 -","8","1","HB5832","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido-2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^-pentamethylcyclopentadienyl)lithiumtantalum(V)","Acta Crystallographica Section E","2011","67","6","m688","m689","10.1107/S1600536811015650","","","0.71073","MoKα","","0.0538","0.0525","","","0.1049","0.1054","","","","","","1.231","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230337","13.393","0.0011","14.174","0.0016","14.571","0.0015","90","","90","","90","","2766","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","HB5868","Vijay Kumar, D.; Thippeswamy, G. B.; Jayashree, B. S.; Sridhar, M. A.","1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1492","","10.1107/S1600536811018381","","","0.71073","MoKα","","0.1063","0.073","","","0.1746","0.2091","","","","","","1.146","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230338","15.9282","0.0003","6.1123","0.0002","18.3315","0.0004","90","","90","","90","","1784.72","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol","","- C18 H22 Br2 N2 O2 -","- C18 H22 Br2 N2 O2 -","- C72 H88 Br8 N8 O8 -","4","0.5","HB5874","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol","Acta Crystallographica Section E","2011","67","6","o1391","","10.1107/S1600536811017193","","","1.5418","CuKα","","0.0232","0.0213","","","0.0726","0.0745","","","","","","1.52","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230343","9.1057","0.0003","12.7031","0.0004","21.3874","0.0005","90","","90","","90","","2473.89","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","1","HB5881","Gündoğdu, Cevher; Göçmentürk, Mustafa; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer","Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1470","o1471","10.1107/S1600536811018678","","","0.71073","MoKα","","0.0599","0.0416","","","0.0935","0.1022","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230371","17.6174","0.0007","7.2025","0.0003","25.7706","0.001","90","","90","","90","","3270","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Formyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","","- C18 H14 O6 S -","- C18 H14 O6 S -","- C144 H112 O48 S8 -","8","1","IS2704","Yuvaraj, H.; Gayathri, D.; Kalkhambkar, Rajesh G.; Kulkarni, Geeta M.; Bapset, Rajendra M.","8-Formyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","6","o1513","","10.1107/S1600536811018927","","","0.71073","MoKα","","0.0607","0.0426","","","0.1193","0.1352","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230400","12.403","0.003","9.329","0.0019","12.81","0.003","90","","90","","90","","1482.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato- κ^2^<i>O</i>:<i>O</i>')lithium(I)]","","- C5 H4 Li N3 O5 -","- C5 H4 Li N3 O5 -","- C40 H32 Li8 N24 O40 -","8","1","KP2322","Starosta, Wojciech; Leciejewicz, Janusz","Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')lithium(I)]","Acta Crystallographica Section E","2011","67","6","m818","","10.1107/S1600536811019520","","","0.71073","MoKα","","0.0778","0.0498","","","0.136","0.1531","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230401","5.4501","0.001","15.825","0.003","21.889","0.004","90","","90","","90","","1887.9","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Bis[2-(prop-1-enyl)phenoxy]butane","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","0.5","KP2326","Bayramov, Musa R.; Maharramov, Abel M.; Mehdiyeva, Gunay M.; Hoseinzadeh, Shahnaz B.; Askerov, Rizvan K.","1,4-Bis[2-(prop-1-enyl)phenoxy]butane","Acta Crystallographica Section E","2011","67","6","o1478","","10.1107/S1600536811018538","","","0.71073","MoKα","","0.0774","0.0424","","","0.1207","0.1506","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230407","7.341","0.0007","12.4094","0.0013","38.074","0.004","90","","90","","90","","3468.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-hydroxyethanaminium) biphenyl-4,4'-dicarboxylate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","LH5226","Deng, Bin; Yu, Rui-Jin","Bis(2-hydroxyethanaminium) biphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2011","67","6","o1337","","10.1107/S1600536811013523","","","0.71073","MoKα","","0.0891","0.0664","","","0.158","0.1726","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230423","10.0728","0.0004","11.2577","0.0004","20.367","0.0006","90","","90","","90","","2309.55","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide","","- C11 H14 Br N O -","- C11 H14 Br N O -","- C88 H112 Br8 N8 O8 -","8","1","LH5254","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.","2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide","Acta Crystallographica Section E","2011","67","6","o1543","","10.1107/S1600536811019337","","","0.71073","MoKα","","0.0822","0.0453","","","0.0801","0.093","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230434","9.3656","0.0002","13.7515","0.0003","18.7917","0.0004","90","","90","","90","","2420.2","0.09","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Adamantan-1-yl)-2-chloroacetamide","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C96 H144 Cl8 N8 O8 -","8","1","NK2092","Onajole, Oluseye K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","<i>N</i>-(Adamantan-1-yl)-2-chloroacetamide","Acta Crystallographica Section E","2011","67","6","o1444","","10.1107/S1600536811018046","","","0.71073","MoKα","","0.044","0.0368","","","0.0998","0.1058","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230450","11.799","0.002","11.529","0.002","26.22","0.005","90","","90","","90","","3566.7","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole","","- C23 H21 N O -","- C23 H21 N O -","- C184 H168 N8 O8 -","8","1","PV2412","Xu, Hong; Sun, Hong-shun; Luo, Feng-mao; Ding, Jian-qing","1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","6","o1349","","10.1107/S1600536811016631","","","0.71073","MoKα","","0.1358","0.06","","","0.1446","0.1717","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230477","19.5821","0.0013","20.3531","0.0014","22.4764","0.0016","90","","90","","90","","8958.1","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]- κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III)","","- C45 H39 N6 O6 S3 Sm -","- C45 H39 N6 O6 S3 Sm -","- C360 H312 N48 O48 S24 Sm8 -","8","1","SJ5128","Ge, Guo-Di; Shen, Jin-Bei; Zhao, Guo-Liang","Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]-κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III)","Acta Crystallographica Section E","2011","67","6","m706","m707","10.1107/S1600536811016205","","","0.71073","MoKα","","0.0918","0.0395","","","0.0646","0.0771","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230533","10.759","0.0001","7.3189","0.0001","28.9222","0.0003","90","","90","","90","","2277.45","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-{[2-(4-Chlorophenyl)hydrazinylidene]methyl}phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C104 H88 Cl8 N16 O8 -","8","1","XU5209","Lo, Kong Mun; Ng, Seik Weng","2-{[2-(4-Chlorophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E","2011","67","6","o1452","","10.1107/S1600536811017958","","","0.71073","MoKα","","0.0354","0.0314","","","0.0858","0.089","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230540","10.838","0.003","7.2601","0.0017","15.526","0.004","90","","90","","90","","1221.7","0.5","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(Hydroxymethyl)furan-2-carboxylic acid","","- C6 H6 O4 -","- C6 H6 O4 -","- C48 H48 O32 -","8","1","XU5218","Liu, Jun-Liang; Xu, Qing-Yan","5-(Hydroxymethyl)furan-2-carboxylic acid","Acta Crystallographica Section E","2011","67","6","o1548","","10.1107/S1600536811019489","","","0.71073","MoKα","","0.0377","0.0354","","","0.0882","0.0899","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230572","10.105","0.009","8.485","0.008","31.37","0.03","90","","90","","90","","2690","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-Nitrophenyl)-4-oxo-4-phenylbutanenitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","BH2356","Yang, Jingya; Zhou, Hongyan; Li, Zheng","2-(3-Nitrophenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2011","67","7","o1610","","10.1107/S1600536811021052","","","0.71073","MoKα","","0.09","0.0498","","","0.1048","0.1218","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230614","13.7138","0.0004","6.7088","0.0002","25.3217","0.0007","90","","90","","90","","2329.68","0.12","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C104 H80 Br8 N24 -","8","1","DN2697","Ouzidan, Younes; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2011","67","7","o1684","","10.1107/S1600536811022318","","","0.71073","MoKα","","0.0479","0.0325","","","0.0812","0.0898","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230624","8.4548","0.001","13.9166","0.0013","20.831","0.002","90","","90","","90","","2451","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-Bromobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium bromide","","- C11 H12 Br2 N2 -","- C11 H12 Br2 N2 -","- C88 H96 Br16 N16 -","8","1","FF2011","Dong, Jian-Yu; You, Tian-Pa","3-(2-Bromobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium bromide","Acta Crystallographica Section E","2011","67","7","o1568","","10.1107/S1600536811019842","","","0.71073","MoKα","","0.1001","0.0641","","","0.1195","0.1304","","","","","","1.187","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230640","8.1167","0.0007","10.6662","0.0012","12.7127","0.0011","90","","90","","90","","1100.59","0.18","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine","3-(5,6-dimethyl-1,2,4-triazin-3-yl)-5,6-dimethyl-1,2,4-triazine","","- C10 H12 N6 -","- C10 H12 N6 -","- C40 H48 N24 -","4","0.5","FY2014","Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Wysocki, Waldemar","5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine","Acta Crystallographica Section E","2011","67","7","o1613","","10.1107/S1600536811020691","","","1.54178","CuKα","","0.0858","0.0641","","","0.2354","0.272","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230656","9.931","0.0018","16.342","0.003","23.516","0.005","90","","90","","90","","3816.5","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C176 H168 N24 O24 S8 -","8","1","HB5886","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun","4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","7","o1721","o1722","10.1107/S160053681102304X","","","0.71073","MoKα","","0.1003","0.0961","","","0.206","0.2077","","","","","","1.281","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230700","12.2099","0.0008","11.6922","0.0008","23.2513","0.0015","90","","90","","90","","3319.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-pyridine-2,3-dicarboxylato- κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate]","","- C19 H13 N3 O5 Zn -","- C19 H13 N3 O5 Zn -","- C152 H104 N24 O40 Zn8 -","8","1","HY2421","Qin, Zhen-Hua; Lou, Shu-Fang; Wang, Na; Wang, Fu-Yu","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-pyridine-2,3-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate]","Acta Crystallographica Section E","2011","67","7","m864","","10.1107/S1600536811020344","","","0.71073","MoKα","","0.0637","0.0506","","","0.161","0.1748","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230708","21.937","0.0013","7.4569","0.0005","23.2379","0.0014","90","","90","","90","","3801.3","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[bis(2-chlorobenzoato- κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C38 H24 Cl4 N2 O8 Pb2 -","- C38 H24 Cl4 N2 O8 Pb2 -","- C152 H96 Cl16 N8 O32 Pb8 -","4","0.5","HY2436","Feng, Tian-Jun","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[bis(2-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2011","67","7","m935","","10.1107/S1600536811022422","","","0.71073","MoKα","","0.0389","0.0262","","","0.0659","0.0806","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230737","7.7207","0.0006","14.4411","0.0012","26.064","0.002","90","","90","","90","","2906","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 Cl O4 -","- C16 H13 Cl O4 -","- C128 H104 Cl8 O32 -","8","1","IS2727","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1687","","10.1107/S1600536811021246","","","0.71073","MoKα","","0.0659","0.041","","","0.101","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230741","12.0046","0.0012","7.9329","0.0009","22.925","0.003","90","","90","","90","","2183.2","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","IS2731","Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Wisitsak, Pitikan; Fun, Hoong-Kun","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1770","o1771","10.1107/S1600536811023634","","","0.71073","MoKα","","0.065","0.0476","","","0.1184","0.1321","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230768","7.8406","0.0005","16.8767","0.0012","17.542","0.0013","90","","90","","90","","2321.2","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-Ethyl 2-benzylidene-3-oxobutanoate","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","KP2335","Ismiyev, Arif I.","(<i>Z</i>)-Ethyl 2-benzylidene-3-oxobutanoate","Acta Crystallographica Section E","2011","67","7","o1863","","10.1107/S1600536811024974","","","0.71073","MoKα","","0.1065","0.0526","","","0.1008","0.1248","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230780","9.4498","0.0019","10.856","0.002","21.93","0.004","90","","90","","90","","2249.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)pyrrolidine-1-carboxamide","","- C11 H13 Cl N2 O -","- C11 H13 Cl N2 O -","- C88 H104 Cl8 N16 O8 -","8","1","LH5257","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)pyrrolidine-1-carboxamide","Acta Crystallographica Section E","2011","67","7","o1792","","10.1107/S1600536811024111","","","0.71073","MoKα","","0.0511","0.0458","","","0.1249","0.1304","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230785","7.8424","0.0005","14.6799","0.0009","25.7677","0.0014","90","","90","","90","","2966.5","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 Br O4 -","- C16 H13 Br O4 -","- C128 H104 Br8 O32 -","8","1","LH5263","Fun, Hoong-Kun; Quah, Ching Kheng; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1724","","10.1107/S1600536811023002","","","0.71073","MoKα","","0.0747","0.0368","","","0.0806","0.0946","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230808","11.4968","0.0009","6.799","0.0005","26.883","0.002","90","","90","","90","","2101.4","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Potassium <i>N</i>-chloro-<i>o</i>-toluenesulfonamidate monohydrate","","- C7 H9 Cl K N O3 S -","- C7 H9 Cl K N O3 S -","- C56 H72 Cl8 K8 N8 O24 S8 -","8","1","NC2234","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-chloro-<i>o</i>-toluenesulfonamidate monohydrate","Acta Crystallographica Section E","2011","67","7","m961","","10.1107/S1600536811023555","","","0.71073","MoKα","","0.0472","0.0441","","","0.1206","0.1231","","","","","","0.923","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230819","11.2417","0.0018","8.2532","0.001","26.57","0.004","90","","90","","90","","2465.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","NG5187","Harrad, Mohamed Anoir; Boualy, Brahim; Oudahmane, Abdelghani; Avignant, Daniel; Rizzoli, Corrado","(<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one","Acta Crystallographica Section E","2011","67","7","o1818","","10.1107/S1600536811024494","","","0.71073","MoKα","","0.1114","0.0498","","","0.1218","0.1419","","","","","","0.935","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230820","8.168","0.0002","16.4046","0.0004","28.8651","0.0007","90","","90","","90","","3867.71","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 2-{[3-(2-methoxybenzyl)thiophen-2-yl]methylidene}malonate","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","NK2101","Ranjith, S.; Sakthi Murugesan, K.; Subbiah Pandi, A.; Dhayalan, V.; Mohana Krishnan, A. K.","Diethyl 2-{[3-(2-methoxybenzyl)thiophen-2-yl]methylidene}malonate","Acta Crystallographica Section E","2011","67","7","o1688","","10.1107/S1600536811022525","","","0.71073","MoKα","","0.0613","0.0424","","","0.1317","0.1449","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230823","9.265","0.0013","16.402","0.002","22.74","0.003","90","","90","","90","","3455.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","1","OM2431","Sheikh, Tahir Ali; Khan, Islam Ullah; Harrison, William T. A.; Ejaz","<i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide","Acta Crystallographica Section E","2011","67","7","o1737","","10.1107/S1600536811020150","","","0.71073","MoKα","","0.1514","0.0686","","","0.1534","0.1808","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230867","17.779","0.004","7.1575","0.0014","21.306","0.004","90","","90","","90","","2711.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C128 H96 F8 N8 O24 -","8","1","SJ5156","Wu, Weiyao; Lin, Huihui; Wan, Chong-Qing; Cao, Sheng-Li","5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione","Acta Crystallographica Section E","2011","67","7","o1834","","10.1107/S1600536811023488","","","0.71073","MoKα","","0.1151","0.0486","","","0.1075","0.1357","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230940","7.3145","0.0002","14.2903","0.0003","25.1512","0.0006","90","","90","","90","","2628.96","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>- benzimidazol-2(3<i>H</i>)-one‒6-chloro-1-[(<i>E</i>)- 3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one (4/1)","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C104 H112 Cl8 N24 O16 -","8","1","XU5248","Dardouri, Rachida; Rodi, Yousef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","5-Chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one‒6-chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one (4/1)","Acta Crystallographica Section E","2011","67","7","o1853","","10.1107/S1600536811024706","","","0.71073","MoKα","","0.0854","0.0669","","","0.1923","0.2041","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230985","8.182","0.002","10.549","0.004","34.179","0.009","90","","90","","90","","2950.1","1.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Propane-1,3-diyl)bis(2<i>H</i>-indazole)","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","AA2015","Ovalle, Saúl; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla","2,2'-(Propane-1,3-diyl)bis(2<i>H</i>-indazole)","Acta Crystallographica Section E","2011","67","8","o2144","","10.1107/S1600536811029011","","","0.71073","MoKα","","0.0894","0.0488","","","0.119","0.1619","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230994","12.491","0.005","12.155","0.005","14.466","0.005","90","","90","","90","","2196.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","gamma-fagarine","4,8-Dimethoxyfuro[2,3-b]quinoline","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","BH2360","Liu, Yong; Wei, Kou; Yang, Jianshe","4,8-Dimethoxyfuro[2,3-<i>b</i>]quinoline (γ-fagarine)","Acta Crystallographica Section E","2011","67","8","o1907","","10.1107/S1600536811025062","","","0.71073","MoKα","","0.0828","0.0444","","","0.1032","0.1285","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231005","13.3367","0.0006","12.6292","0.0005","17.123","0.0006","90","","90","","90","","2884.1","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one","","- C15 H12 Br N O2 S -","- C15 H12 Br N O2 S -","- C120 H96 Br8 N8 O16 S8 -","8","1","BT5562","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","8","o1902","","10.1107/S1600536811025281","","","0.71073","MoKα","","0.079","0.038","","","0.0767","0.0873","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231012","12.884","0.002","7.173","0.001","20.805","0.003","90","","90","","90","","1922.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)succinimide","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C80 H64 Cl8 N8 O16 -","8","1","BT5570","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)succinimide","Acta Crystallographica Section E","2011","67","8","o1977","","10.1107/S1600536811026845","","","0.71073","MoKα","","0.1335","0.0816","","","0.1213","0.1368","","","","","","1.326","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231014","9.8053","0.001","18.87","0.002","23.584","0.003","90","","90","","90","","4363.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C192 H280 N8 O16 -","8","1","BT5572","Asgarova, Ayten R.; Allahverdiyev, Mirze A.; Khalilov, Ali. N.; Gurbanov, Atash V.; Brito, Iván","4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol","Acta Crystallographica Section E","2011","67","8","o2024","","10.1107/S1600536811027115","","","0.71073","MoKα","","0.1169","0.0907","","","0.2224","0.2425","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231056","7.199","0.007","11.792","0.011","28.77","0.03","90","","90","","90","","2442","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis{2-[4-(4-pyridyl)pyrimidin-2-ylsulfanyl]acetato}zinc","","- C22 H24 N6 O8 S2 Zn -","- C22 H24 N6 O8 S2 Zn -","- C88 H96 N24 O32 S8 Zn4 -","4","0.5","CV5136","Zhu, Hai-Bin; Lu, Xin","Tetraaquabis{2-[4-(4-pyridyl)pyrimidin-2-ylsulfanyl]acetato}zinc","Acta Crystallographica Section E","2011","67","8","m1169","","10.1107/S160053681102993X","","","0.71073","MoKα","","0.0499","0.0325","","","0.0787","0.0857","","","","","","1.017","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231065","21.99","0.002","10.047","0.0008","26.408","0.002","90","","90","","90","","5834.4","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C224 H224 Cl16 N16 O32 S16 -","16","2","DS2123","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2102","","10.1107/S1600536811028819","","","0.71073","MoKα","","0.2105","0.1281","","","0.302","0.3447","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231085","10.168","0.0017","12.133","0.002","26.079","0.004","90","","90","","90","","3217.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide","","- C20 H16 Fe N2 O -","- C20 H16 Fe N2 O -","- C160 H128 Fe8 N16 O8 -","8","1","FJ2441","Li, Xia; Du, Ling-Zhi","<i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide","Acta Crystallographica Section E","2011","67","8","m1113","","10.1107/S1600536811026341","","","0.71073","MoKα","","0.0497","0.0344","","","0.0857","0.0968","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231089","13.062","0.002","15.71","0.003","19.798","0.003","90","","90","","90","","4062.6","1.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7- tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","","- C20 H25 N3 O3 S2 -","- C20 H25 N3 O3 S2 -","- C160 H200 N24 O24 S16 -","8","1","FL2350","Niu, Duan; Huang, Shu-Yun; Wang, Ping-Bao; Liu, Deng-Ke","2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","Acta Crystallographica Section E","2011","67","8","o2134","","10.1107/S1600536811028716","","","0.71073","MoKα","","0.0603","0.0537","","","0.1381","0.1433","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231095","13.347","0.003","14.187","0.003","14.408","0.003","90","","90","","90","","2728.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,2-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","","- C8 H18 Cl4 Cu N2 -","- C8 H18 Cl4 Cu N2 -","- C64 H144 Cl32 Cu8 N16 -","8","1","GK2387","Rong, Tao","1,2-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","8","m1016","","10.1107/S1600536811025347","","","0.71073","MoKα","","0.0677","0.0504","","","0.1149","0.1225","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231130","7.735","0.005","11.324","0.005","23.236","0.01","90","","90","","90","","2035.3","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)acrylate","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)prop-2-enoate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","HB5951","Hou, Rui-Bin; Li, Dong-Feng","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)acrylate","Acta Crystallographica Section E","2011","67","8","o2197","","10.1107/S1600536811030121","","","0.71073","MoKα","","0.0808","0.0492","","","0.1182","0.1332","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231158","10.5071","0.0007","8.4023","0.0005","32.6662","0.0019","90","","90","","90","","2883.9","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","IM2301","Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2011","67","8","o1975","o1976","10.1107/S1600536811026833","","","0.71073","MoKα","","0.1364","0.0745","","","0.1319","0.1559","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231177","13.974","0.006","11.935","0.005","34.494","0.014","90","","90","","90","","5753","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>- carbazole","","- C30 H35 B2 N O4 -","- C30 H35 B2 N O4 -","- C240 H280 B16 N8 O32 -","8","1","JH2305","Wu, Weibing; Tang, Jinan","9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2011","67","8","o1919","","10.1107/S1600536811025645","","","0.71073","MoKα","","0.1141","0.0933","","","0.2256","0.2416","","","","","","1.155","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231190","11.0976","0.0011","10.4422","0.0009","23.9903","0.0017","90","","90","","90","","2780.1","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-3-pyridylmethylidene]-2-naphthohydrazide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","1","KP2338","Li, Chuan; Zhang, Xiuyun; Wu, Qingkun; Yin, Handong","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-3-pyridylmethylidene]-2-naphthohydrazide","Acta Crystallographica Section E","2011","67","8","o1912","","10.1107/S1600536811025591","","","0.71073","MoKα","","0.087","0.0389","","","0.0817","0.1093","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231216","18.269","0.005","27.564","0.007","18.115","0.005","90","","90","","90","","9122","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C26 H26 N4 O S -","- C26 H26 N4 O S -","- C416 H416 N64 O16 S16 -","16","2","LH5288","Chen, Hong","7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2191","","10.1107/S1600536811029771","","","0.71073","MoKα","","0.0817","0.0584","","","0.1396","0.1574","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231257","11.9","0.002","9.1978","0.0015","14.521","0.003","90","","90","","90","","1589.4","0.5","123.1","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Diazonaphthalen-2(1<i>H</i>)-one","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C80 H48 N16 O8 -","8","1","PV2420","Kitamura, Mitsuru; Sakata, Rie; Matsumoto, Taisuke","1-Diazonaphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1951","","10.1107/S1600536811026377","","","1.54187","CuKα","","","0.0438","","","","0.1192","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231314","16.065","0.003","7.946","0.002","24.534","0.003","90","","90","","90","","3131.8","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C136 H152 N24 O16 -","8","1","SU2286","Su, Fu; Gu, Zheng-Gui; Lin, Jun","4-Dimethylamino-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","8","o1896","","10.1107/S1600536811025220","","","0.71073","MoKα","","0.1257","0.0637","","","0.1206","0.14","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231372","12.4231","0.0008","7.8464","0.0005","15.9801","0.001","90","","90","","90","","1557.69","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl(phenyl)phosphinic acid","","- C7 H9 O2 P -","- C7 H9 O2 P -","- C56 H72 O16 P8 -","8","1","ZB2012","Burrow, Robert A.; Siqueira da Silva, Rubia M.","Methyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2011","67","8","o2005","","10.1107/S1600536811025530","","","0.71073","MoKα","","0.0905","0.0521","","","0.1241","0.1449","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231444","10.9068","0.0003","7.9851","0.0002","30.2131","0.0007","90","","90","","90","","2631.32","0.12","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BX2361","Silva, W. A.; Gatto, C. C.; Oliveira, G. R.","(2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2011","67","9","o2210","","10.1107/S160053681103025X","","","0.71073","MoKα","","0.1072","0.0501","","","0.11","0.134","","","","","","1.005","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2231477","16.2029","0.0005","7.8648","0.0004","22.8422","0.0008","90","","90","","90","","2910.8","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,3-dibenzoylbenzene","(3-Benzoylphenyl)(phenyl)methanone","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","FY2021","Raza Ahsraf, Ahmed; Akhter, Zareen; Bolte, Michael","(3-Benzoylphenyl)(phenyl)methanone","Acta Crystallographica Section E","2011","67","9","o2432","","10.1107/S1600536811033344","","","0.71073","MoKα","","0.0465","0.0374","","","0.097","0.1014","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231490","9.63","0.002","8.4322","0.0018","29.848","0.007","90","","90","","90","","2423.7","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","1","HB6338","Guo, Huan-Mei","7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one","Acta Crystallographica Section E","2011","67","9","o2517","","10.1107/S1600536811034301","","","0.71073","MoKα","","0.067","0.0592","","","0.1158","0.12","","","","","","1.162","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231539","11.8908","0.0003","7.1807","0.0001","28.3004","0.0006","90","","90","","90","","2416.41","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(thiophen-3-yl)penta-1,4-dien-3-one","","- C13 H10 O S2 -","- C13 H10 O S2 -","- C104 H80 O8 S16 -","8","1","HG5079","Shalini, S.; Girija, C. R.; Jotani, Mukesh M.; Rajashekhar, B.; Rao, Nageswar; Tiekink, Edward R. T.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(thiophen-3-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2011","67","9","o2354","","10.1107/S160053681103248X","","","0.71073","MoKα","","0.0544","0.0399","","","0.1044","0.1212","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231585","13.542","0.003","6.1544","0.0015","27.62","0.007","90","","90","","90","","2301.9","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline","","- C13 H11 Br N2 -","- C13 H11 Br N2 -","- C104 H88 Br8 N16 -","8","1","LD2022","Cai, Mingjian; Ma, Penggao; Wang, Xiuge; Sun, Tao","(<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline","Acta Crystallographica Section E","2011","67","9","o2335","","10.1107/S1600536811031825","","","0.71073","MoKα","","0.0517","0.0396","","","0.0972","0.1044","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231606","9.3359","0.0019","11.105","0.002","22.426","0.005","90","","90","","90","","2325","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)morpholine-4-carboxamide","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C88 H104 Cl8 N16 O16 -","8","1","LH5309","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2011","67","9","o2492","","10.1107/S1600536811034611","","","0.71073","MoKα","","0.0555","0.0444","","","0.1162","0.1242","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231611","7.4348","0.0006","14.0589","0.0011","15.6401","0.0016","90","","90","","90","","1634.8","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopropane-1,3'-indolin]-2'-one","","- C10 H9 N O -","- C10 H9 N O -","- C80 H72 N8 O8 -","8","1","LH5317","Yuan, Maosen; Wang, Qi; Zhang, Yuejun; Wang, Junru","Spiro[cyclopropane-1,3'-indolin]-2'-one","Acta Crystallographica Section E","2011","67","9","o2456","","10.1107/S1600536811034167","","","0.71073","MoKα","","0.0612","0.0354","","","0.0831","0.1064","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231635","17.0231","0.0004","12.62","0.0003","25.5527","0.0006","90","","90","","90","","5489.5","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-[1,2-Bis(diphenylarsanyl)ethane- κ^2^<i>As</i>,<i>As</i>']tetracarbonylchromium(0)","","- C30 H24 As2 Cr O4 -","- C30 H24 As2 Cr O4 -","- C240 H192 As16 Cr8 O32 -","8","1","NG5210","Norlidah, M. N.; Azhar, M. Y.; Bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","<i>cis</i>-[1,2-Bis(diphenylarsanyl)ethane-κ^2^<i>As</i>,<i>As</i>']tetracarbonylchromium(0)","Acta Crystallographica Section E","2011","67","9","m1267","m1268","10.1107/S1600536811032314","","","0.71073","MoKα","","0.0443","0.0279","","","0.0581","0.0645","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231662","16.6512","0.0011","11.2056","0.0007","17.9966","0.0011","90","","90","","90","","3357.9","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4- triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)","","- C15 H14 Cl2 Cu N4 O -","- C15 H14 Cl2 Cu N4 O -","- C120 H112 Cl16 Cu8 N32 O8 -","8","1","PV2432","Cao, Shouping; Wang, Zuoxiang; Jin, Xiaofei","Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)","Acta Crystallographica Section E","2011","67","9","m1273","","10.1107/S160053681103296X","","","0.71073","MoKα","","0.0493","0.0294","","","0.0627","0.0683","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231682","11.0337","0.0004","12.1424","0.0004","23.2234","0.0009","90","","90","","90","","3111.37","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azidomethyl-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C128 H112 N32 O16 S8 -","8","1","RK2287","Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","2-Azidomethyl-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","9","o2245","o2246","10.1107/S1600536811030601","","","0.71073","MoKα","","0.0791","0.0473","","","0.1415","0.1658","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231693","11.3634","0.0004","14.9962","0.0006","17.2328","0.0007","90","","90","","90","","2936.6","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}","","- C24 H20 Cl4 Hg2 N12 -","- C24 H20 Cl4 Hg2 N12 -","- C96 H80 Cl16 Hg8 N48 -","4","0.5","SU2294","Guo, Jian; Tang, Min; Chen, Jing; Li, Cheng-Peng","Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}","Acta Crystallographica Section E","2011","67","9","m1180","","10.1107/S1600536811029886","","","0.71073","MoKα","","0.0335","0.0224","","","0.0523","0.0583","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231761","9.906","0.003","10.542","0.005","22.87","0.005","90","","90","","90","","2388.3","1.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]benzohydrazide","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","XU6116","Shan, Shang; Huang, Yan-Lan; Guo, Han-Qi; Li, Deng-Feng; Sun, Jian","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","9","o2498","","10.1107/S1600536811033101","","","0.71073","MoKα","","0.067","0.0408","","","0.0919","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231911","9.7449","0.0003","10.1063","0.0003","22.8803","0.0007","90","","90","","90","","2253.36","0.12","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide","","- C10 H11 Br Cl N O -","- C10 H11 Br Cl N O -","- C80 H88 Br8 Cl8 N8 O8 -","8","1","HG5088","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.","2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide","Acta Crystallographica Section E","2011","67","10","o2580","","10.1107/S1600536811035562","","","0.71073","MoKα","","0.0436","0.0317","","","0.0654","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231980","9.5546","0.0019","10.91","0.002","26.477","0.005","90","","90","","90","","2760","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide","","- C13 H18 Cl N3 O -","- C13 H18 Cl N3 O -","- C104 H144 Cl8 N24 O8 -","8","1","LH5326","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","10","o2574","","10.1107/S1600536811035331","","","0.71073","MoKα","","0.1117","0.0607","","","0.1502","0.1869","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232030","11.1223","0.0002","12.018","0.0003","16.0461","0.0005","90","","90","","90","","2144.85","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)trichlorido- (urea-κ<i>O</i>)tin(IV)","","- C4 H10 Cl3 N3 O2 Sn -","- C4 H10 Cl3 N3 O2 Sn -","- C32 H80 Cl24 N24 O16 Sn8 -","8","1","QM2029","Howie, R. Alan; de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","<i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)trichlorido(urea-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","10","m1420","m1421","10.1107/S1600536811038281","","","0.71073","MoKα","","0.0258","0.0222","","","0.0483","0.0505","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232067","9.1561","0.0009","20.6965","0.0016","28.482","0.002","90","","90","","90","","5397.3","0.8","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","","- C27 H38 Mo N4 O4 -","- C27 H38 Mo N4 O4 -","- C216 H304 Mo8 N32 O32 -","8","1","TK2784","Kargar, Hadi; Kia, Reza","{5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","Acta Crystallographica Section E","2011","67","10","m1348","","10.1107/S1600536811035069","","","0.71073","MoKα","","0.1191","0.0412","","","0.0701","0.0853","","","","","","0.804","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232186","8.027","0.003","13.582","0.005","19.591","0.007","90","","90","","90","","2135.9","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[(triaquacadmium)-μ-5-hydroxyisophthalato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C8 H10 Cd O8 -","- C8 H10 Cd O8 -","- C64 H80 Cd8 O64 -","8","1","BT5673","Wei, Xiao-Hong; Zhao, Jun","<i>catena</i>-Poly[(triaquacadmium)-μ-5-hydroxyisophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","Acta Crystallographica Section E","2011","67","11","m1560","","10.1107/S160053681104236X","","","0.71073","MoKα","","0.0245","0.0234","","","0.0618","0.063","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232189","10.7711","0.0009","7.8736","0.0007","31.61","0.003","90","","90","","90","","2680.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-Benzylidene]-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H13 N O S -","- C16 H13 N O S -","- C128 H104 N8 O8 S8 -","8","1","BT5678","Sabari, V.; Jagadeesan, G.; Selvakumar, Raman; Bakthadoss, Mannickam; Aravindhan, S.","3-[(<i>Z</i>)-Benzylidene]-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3061","","10.1107/S1600536811042991","","","0.71073","MoKα","","0.0512","0.0387","","","0.1047","0.1119","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232227","8.0268","0.0008","8.1242","0.0007","23.7912","0.0019","90","","90","","90","","1551.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-nitroanilinium bromide","2-Nitroanilinium bromide","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C48 H56 Br8 N16 O16 -","8","1","FF2032","Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.","2-Nitroanilinium bromide","Acta Crystallographica Section E","2011","67","11","o3035","","10.1107/S1600536811041948","","","0.71073","MoKα","","0.0408","0.0307","","","0.0735","0.0763","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232243","8.6291","0.0003","27.5913","0.0014","11.7246","0.0005","90","","90","","90","","2791.5","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]benzene-1,2-dicarbonitrile","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","FK2042","Keleşoğlu, Zeynep; Çelenk Kaya, Elif; Kaya, Afşin Ahmet; Kantekin, Halit; Büyükgüngör, Orhan","4-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2011","67","11","o2989","","10.1107/S1600536811042164","","","0.71073","MoKα","","0.0788","0.0497","","","0.1239","0.1387","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232250","15.49","0.003","15.252","0.003","19.951","0.004","90","","90","","90","","4713.5","1.6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3- dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate","","- C21 H28 Cl2 Cu2 N2 O7 -","- C21 H28 Cl2 Cu2 N2 O7 -","- C168 H224 Cl16 Cu16 N16 O56 -","8","1","GK2407","Li, Yong","Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3-dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate","Acta Crystallographica Section E","2011","67","11","m1539","","10.1107/S1600536811041481","","","0.71073","MoKα","","0.0487","0.0411","","","0.088","0.0915","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232289","14.4623","0.0008","10.9202","0.0006","19.5592","0.001","90","","90","","90","","3089","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","HB6444","Horkaew, Jirapa; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","11","o2985","","10.1107/S1600536811041535","","","0.71073","MoKα","","0.0481","0.0391","","","0.102","0.1093","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232297","10.484","0.003","11.26","0.003","20.033","0.006","90","","90","","90","","2364.9","1.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3-diaminopyridinium salicylate","2,3-Diaminopyridinium 2-hydroxybenzoate","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","HB6455","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 2-hydroxybenzoate","Acta Crystallographica Section E","2011","67","11","o3121","","10.1107/S1600536811044461","","","0.71073","MoKα","","0.0984","0.0499","","","0.117","0.1438","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232308","14.4725","0.0011","6.7744","0.0005","31.31","0.002","90","","90","","90","","3069.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one","","- C16 H12 Br N3 O4 -","- C16 H12 Br N3 O4 -","- C128 H96 Br8 N24 O32 -","8","1","HB6467","Xiao, Zhu-Ping; Yi, Li-Cheng; Li, Jia-Liang; Zhang, Bo; Liao, Mei-Ling","3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3086","","10.1107/S1600536811043947","","","0.71073","MoKα","","0.0656","0.0361","","","0.0839","0.0958","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232325","7.2818","0.0018","11.977","0.002","25.362","0.005","90","","90","","90","","2211.9","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-nitro-2-(p-tolyloxy)pyridine","2-(4-Methylphenoxy)-5-nitropyridine","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","1","HG5116","Nasir, Shah Bakhtiar; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methylphenoxy)-5-nitropyridine","Acta Crystallographica Section E","2011","67","11","o3077","","10.1107/S1600536811044047","","","0.71073","MoKα","","0.0972","0.0474","","","0.1172","0.1466","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232351","10.428","0.0005","13.4075","0.0006","21.5565","0.0008","90","","90","","90","","3013.9","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C128 H136 N8 O40 -","8","1","IS2785","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","<i>N</i>-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2011","67","11","o2865","","10.1107/S1600536811040554","","","0.71073","MoKα","","0.0857","0.0542","","","","0.1335","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232352","12.6837","0.0011","9.4047","0.0011","25.641","0.003","90","","90","","90","","3058.6","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Bromophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C144 H112 Br8 N8 O8 -","8","1","IS2786","Fun, Hoong-Kun; Quah, Ching Kheng; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","<i>N</i>-(4-Bromophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2011","67","11","o2926","o2927","10.1107/S1600536811041110","","","0.71073","MoKα","","0.0876","0.0513","","","0.1489","0.182","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232355","6.849","0.0001","15.0815","0.0002","17.8519","0.0003","90","","90","","90","","1843.98","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone","1-(2-{4-[(2-Acetylphenoxy)methyl]benzyloxy}phenyl)ethanone","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","0.5","IS2792","Al-Mohammed, Nassir N. N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone","Acta Crystallographica Section E","2011","67","11","o3016","","10.1107/S1600536811042528","","","0.71073","MoKα","","0.0428","0.035","","","0.0946","0.0999","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232360","7.4463","0.0006","15.0032","0.0014","35.975","0.002","90","","90","","90","","4019.1","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Carboxy-2-(2-cyclopropylamino-4-methylpyridinium-3-ylamino)pyridinium dinitrate dihydrate","","- C15 H22 N6 O10 -","- C15 H22 N6 O10 -","- C120 H176 N48 O80 -","8","1","JH2324","Dong, Qiong; Jin, Shouwen; Tong, Kai; He, Haidong; Yu, YuanQi","3-Carboxy-2-(2-cyclopropylamino-4-methylpyridinium-3-ylamino)pyridinium dinitrate dihydrate","Acta Crystallographica Section E","2011","67","11","o2864","","10.1107/S1600536811040323","","","0.71073","MoKα","","0.1293","0.084","","","0.2638","0.2947","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232378","10.0207","0.0002","15.6475","0.0002","20.3837","0.0004","90","","90","","90","","3196.14","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2- dicarboxylatoethyl)amino]ethyl}amino)butanedioate]cobaltate(III)sodium] dihydrate]","","- C20 H40 Co2 N4 Na2 O24 -","- C20 H40 Co2 N4 Na2 O24 -","- C80 H160 Co8 N16 Na8 O96 -","4","0.5","LH5329","Trunova, Olena K.; Dudko, Anatolij V.; Makotryk, Tamara O.; Osadcha, Olena V.; Pekhnyo, Vasily I.; Shovkova, Ganna V.","Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2-dicarboxylatoethyl)amino]ethyl}amino)butanedioato]cobaltate(III)sodium] dihydrate]","Acta Crystallographica Section E","2011","67","11","m1547","m1548","10.1107/S160053681104013X","","","0.71073","MoKα","","0.0397","0.0293","","","0.0621","0.0649","","","","","","0.967","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2232420","10.5823","0.0004","9.1053","0.0003","16.4163","0.0006","90","","90","","90","","1581.79","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","PK2349","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)","Acta Crystallographica Section E","2011","67","11","o2819","","10.1107/S1600536811039936","","","0.71073","MoKα","","0.0712","0.0544","","","0.1207","0.1346","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232427","19.0755","0.001","15.9409","0.0009","37.533","0.002","90","","90","","90","","11413.1","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(perchlorate) sesquihydrate","","- C52 H62 Cl2 Mn N8 O11.5 -","- C52 H62 Cl2 Mn N8 O11.5 -","- C416 H496 Cl16 Mn8 N64 O92 -","8","1","PV2456","Kuai, Hai-Wei; Cheng, Xiao-Chun","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2011","67","11","m1543","","10.1107/S1600536811041511","","","0.71073","MoKα","","0.0903","0.0568","","","0.1705","0.1875","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232505","15.6696","0.0014","11.7501","0.0011","15.9042","0.0016","90","","90","","90","","2928.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1-(phenylsulfonyl)propan-2-ol","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C128 H144 O24 S8 -","8","1","XU5336","Shi, Bao-Jun; Huang, Liang-Zhu; Li, You-Qiang; Si, Chang-Mei; Du, Zhen-Ting","2-(4-Methylphenyl)-1-(phenylsulfonyl)propan-2-ol","Acta Crystallographica Section E","2011","67","11","o2845","","10.1107/S1600536811039894","","","0.71073","MoKα","","0.0907","0.0436","","","0.1026","0.1414","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232512","5.323","0.003","12.664","0.006","15.993","0.008","90","","90","","90","","1078.1","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-5-nitro-1<i>H</i>-imidazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C32 H40 N24 O16 -","8","1","XU5346","Diao, Ying; Wang, Wen-Yan; Wei, Zhi-Hua; Wang, Jian-Long","1-Methyl-5-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","11","o3072","","10.1107/S1600536811041705","","","0.71073","MoKα","","0.044","0.0359","","","0.084","0.0884","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232522","10.3054","0.0013","9.2376","0.0012","21.892","0.003","90","","90","","90","","2084.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C88 H72 N8 O40 -","8","1","YK2020","Zhu, Haifeng; Guo, Miao; Chen, Han; Jin, Haixiao; Liang, Hongze","2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate","Acta Crystallographica Section E","2011","67","11","o2863","","10.1107/S1600536811040566","","","0.71073","MoKα","","0.0494","0.0348","","","0.0746","0.0821","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232524","14.3297","0.0014","15.7428","0.0016","17.1867","0.0016","90","","90","","90","","3877.1","0.7","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2- ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C16 H23 Cl2 N3 O2 Ru S -","- C16 H23 Cl2 N3 O2 Ru S -","- C128 H184 Cl16 N24 O16 Ru8 S8 -","8","1","ZB2017","Cheng, Yong; Hua, Wen-Qian; Zhou, Ying-Hua","[1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2-ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section E","2011","67","11","m1573","","10.1107/S1600536811042590","","","0.71073","MoKα","","0.0458","0.0395","","","0.1067","0.1098","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232528","9.6326","0.0003","8.665","0.0002","25.7944","0.0008","90","","90","","90","","2152.97","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Chloro-<i>N</i>-(4-methoxyphenyl)propanamide","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C80 H96 Cl8 N8 O16 -","8","1","ZJ2028","Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddegowda, Maravanahalli S.; Yathirajan, Hemmige S.","3-Chloro-<i>N</i>-(4-methoxyphenyl)propanamide","Acta Crystallographica Section E","2011","67","11","o2868","","10.1107/S1600536811040682","","","0.71073","MoKα","","0.0398","0.0355","","","0.0919","0.0955","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232543","16.295","0.005","16.295","0.005","28.946","0.005","90","","90","","90","","7686","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~- benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate]","","- C34 H43 N O13.25 Zn3 -","- C34 H43 N O13.25 Zn3 -","- C272 H344 N8 O106 Zn24 -","8","1","ZS2153","Zhu, Xiao-Hong; Cheng, Xiao-Chun","Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate]","Acta Crystallographica Section E","2011","67","11","m1641","","10.1107/S1600536811044485","","","0.71073","MoKα","","0.0642","0.0372","","","0.0934","0.0985","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232561","10.5307","0.0002","17.9659","0.0004","22.429","0.0005","90","","90","","90","","4243.42","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(4-aminophenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium] dichloride hydrate","","- C9 H13 Cl N3 O0.5 -","- C9 H13 Cl N3 O0.5 -","- C144 H208 Cl16 N48 O8 -","16","2","BQ2316","Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Bajić, Miroslav","Bis[2-(4-aminophenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium] dichloride monohydrate","Acta Crystallographica Section E","2011","67","12","o3450","o3451","10.1107/S1600536811050070","","","1.54184","CuKα","","","0.045","","","","0.1164","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232562","12.131","0.0011","7.399","0.0007","25.466","0.002","90","","90","","90","","2285.8","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C88 H80 Cl8 N8 O24 -","8","1","BQ2317","Shakuntala, K.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid","Acta Crystallographica Section E","2011","67","12","o3317","","10.1107/S1600536811047817","","","0.71073","MoKα","","0.0375","0.033","","","0.0859","0.0893","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232580","9.9727","0.0019","12.174","0.002","18.558","0.003","90","","90","","90","","2253.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-bromotertiarybutylsalicylidene-2-aminopyridine","3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C88 H104 Br8 O16 -","8","1","BT5688","Balasubramani, V.; Vinuchakkaravarthy, T.; Gopi, Sreeraj; Narasimhan, S.; Velmurugan, D.","3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2011","67","12","o3375","","10.1107/S1600536811048847","","","0.71073","MoKα","","0.1268","0.056","","","0.1311","0.1623","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232622","8.0867","0.0001","15.3271","0.0003","20.3369","0.0004","90","","90","","90","","2520.67","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde","","- C15 H13 N O S -","- C15 H13 N O S -","- C120 H104 N8 O8 S8 -","8","1","CV5184","Yu, Dao-Hui; Wang, Jian-Qing; Kong, Lin; Liu, Zhao-di","10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde","Acta Crystallographica Section E","2011","67","12","o3344","","10.1107/S1600536811047799","","","0.71073","MoKα","","0.0477","0.0408","","","0.1019","0.1086","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232632","9.7329","0.0005","18.6106","0.0009","24.6522","0.0012","90","","90","","90","","4465.4","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one)","","- C27 H26 O4 -","- C27 H26 O4 -","- C216 H208 O32 -","8","1","CV5195","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Cha, Joo Hwan; Sato, Hiroyasu","2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one)","Acta Crystallographica Section E","2011","67","12","o3407","","10.1107/S1600536811048355","","","0.71075","MoKα","","","0.0653","","","","0.2305","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232692","12.9024","0.0005","10.0095","0.0004","20.8585","0.0011","90","","90","","90","","2693.8","0.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Diethyl-3-(4-methoxybenzoyl)thiourea","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C104 H144 N16 O16 S8 -","8","1","GK2435","Al-abbasi, Aisha A.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","1,1-Diethyl-3-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2011","67","12","o3414","","10.1107/S1600536811049208","","","1.54178","CuKα","","0.0484","0.0416","","","0.1165","0.1323","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232699","17.822","0.006","12.995","0.006","22.381","0.007","90","","90","","90","","5183","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate","","- C20 H43 Cl N4 O6 Zn -","- C20 H43 Cl N4 O6 Zn -","- C160 H344 Cl8 N32 O48 Zn8 -","8","1","HB6470","Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Tiekink, Edward R. T.","(Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate","Acta Crystallographica Section E","2011","67","12","m1659","m1660","10.1107/S1600536811045582","","","0.71073","MoKα","","0.0896","0.0804","","","0.1783","0.1832","","","","","","1.289","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2232720","16.1044","0.0012","8.2099","0.0005","19.0303","0.0013","90","","90","","90","","2516.1","0.3","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","1,3-diisopropyl-naphthalene","1,3-Bis(propan-2-yl)naphthalene","","- C16 H20 -","- C16 H20 -","- C128 H160 -","8","1","HB6496","Schröder, Bernd; Gomes, Ligia Rebelo; Low, John Nicolson","1,3-Bis(propan-2-yl)naphthalene","Acta Crystallographica Section E","2011","67","12","o3334","","10.1107/S1600536811047854","","","0.71073","MoKα","","0.0581","0.0455","","","0.1004","0.1075","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232731","16.8923","0.0007","8.0793","0.0006","23.6427","0.0017","90","","90","","90","","3226.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C128 H120 Br8 O32 S8 -","8","1","HB6511","Vepuri, Suresh B.; Devarajegowda, H. C.; Al-eryani, Waleed Fadl Ali; Lavanya, K.; Anbazhagan, S.","(<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3474","","10.1107/S1600536811049294","","","0.71073","MoKα","","0.0733","0.0415","","","0.0641","0.0737","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232744","12.138","0.002","8.058","0.0016","29.32","0.003","90","","90","","90","","2867.7","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Methoxybenzylidene)-4-methylbenzohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","HB6527","Liu, Zeng-Xin","<i>N</i>'-(4-Methoxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3438","","10.1107/S1600536811049932","","","0.71073","MoKα","","0.1865","0.0823","","","0.1668","0.2118","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232777","14.8307","0.0002","12.1463","0.0002","19.8806","0.0003","90","","90","","90","","3581.25","0.09","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane- 1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","","- C12 H11 Fe2 N2 O5 P S2 -","- C12 H11 Fe2 N2 O5 P S2 -","- C96 H88 Fe16 N16 O40 P8 S16 -","8","1","HY2484","Gao, Shang; An, Chun-Ai; Duan, Qian; Jiang, Da-Yong","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane-1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","12","m1750","","10.1107/S1600536811046770","","","0.71073","MoKα","","0.057","0.0336","","","0.064","0.0702","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232800","8.8859","0.0018","14.36","0.003","25.121","0.005","90","","90","","90","","3205.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^- diphenylpyrimidine-4,5,6-triamine","","- C18 H19 N5 -","- C18 H19 N5 -","- C144 H152 N40 -","8","1","IS2800","Shi, Fuqiang; Zhu, Li-Hong; Mu, Li; Zhang, Long; Li, Ya-Feng","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,5,6-triamine","Acta Crystallographica Section E","2011","67","12","o3249","","10.1107/S1600536811046642","","","0.71073","MoKα","","0.1027","0.0524","","","0.1181","0.1367","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232803","8.869","0.003","16.05","0.005","20.925","0.006","90","","90","","90","","2978.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O4 -","- C15 H21 N2 O4 -","- C120 H168 N16 O32 -","8","1","IS5006","Jing, Lin-Lin; Ma, Hui-Ping; Fan, Xiao-Fei; He, Lei; Jia, Zheng-Ping","2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","12","o3348","","10.1107/S160053681104815X","","","0.71073","MoKα","","0.074","0.0472","","","0.1357","0.1633","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232817","10.2546","0.0004","8.7643","0.0003","37.5434","0.0013","90","","90","","90","","3374.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-{4-[(4-Oxoquinazolin-3-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}butyl acetate","","- C17 H19 N5 O3 -","- C17 H19 N5 O3 -","- C136 H152 N40 O24 -","8","1","KJ2192","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","4-{4-[(4-Oxoquinazolin-3-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}butyl acetate","Acta Crystallographica Section E","2011","67","12","o3191","","10.1107/S1600536811045600","","","0.71073","MoKα","","0.0629","0.0467","","","0.1223","0.1326","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232822","18.091","0.004","15.245","0.003","19.007","0.004","90","","90","","90","","5242.1","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)- 7,8-diphenylglycoluril]dizinc] monohydrate]","","- C24 H28 N4 O15 Zn2 -","- C24 H28 N4 O15 Zn2 -","- C192 H224 N32 O120 Zn16 -","8","1","KP2362","Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong; Wang, Xiuguang","Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)-7,8-diphenylglycoluril]dizinc] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1818","m1819","10.1107/S1600536811049191","","","0.71073","MoKα","","0.0681","0.06","","","0.1453","0.1512","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232827","12.2078","0.001","11.951","0.001","25.326","0.002","90","","90","","90","","3694.9","0.5","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl(pyrazine-1,3-dithiolato- κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","","- C12 H20 Fe N2 O2 P2 S2 -","- C12 H20 Fe N2 O2 P2 S2 -","- C96 H160 Fe8 N16 O16 P16 S16 -","8","1","KP2368","Gao, Shang; Duan, Qian; An, Chun-ai; Jiang, Da-yong","Dicarbonyl(pyrazine-1,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","Acta Crystallographica Section E","2011","67","12","m1790","","10.1107/S1600536811048574","","","0.71073","MoKα","","0.0348","0.0288","","","0.0696","0.0727","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232844","8.263","0.0008","9.3792","0.0009","33.806","0.003","90","","90","","90","","2620","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Naphthalen-1-yl)benzamide","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","LH5366","Zhu, Ruitao; Ren, Yuehong; Li, Wenjuan","<i>N</i>-(Naphthalen-1-yl)benzamide","Acta Crystallographica Section E","2011","67","12","o3204","","10.1107/S1600536811045946","","","0.71073","MoKα","","0.1104","0.0559","","","0.1142","0.1288","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232862","14.0108","0.0006","11.7674","0.0007","25.7068","0.0012","90","","90","","90","","4238.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-phenylphosphinato- κ^2^<i>O</i>:<i>O</i>']","","- C24 H21 O2 P Sn -","- C24 H21 O2 P Sn -","- C192 H168 O16 P8 Sn8 -","8","1","MW2028","Diop, Tidiane; Diop, Libasse; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Stoeckli-Evans, Helen","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-phenylphosphinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","12","m1674","m1675","10.1107/S1600536811043625","","","0.71073","MoKα","","0.1026","0.0516","","","0.0704","0.0794","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232942","12.311","0.002","8.1229","0.0015","29.956","0.006","90","","90","","90","","2995.6","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-5-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine","","- C15 H12 Cl N3 O2 S -","- C15 H12 Cl N3 O2 S -","- C120 H96 Cl8 N24 O16 S8 -","8","1","RZ2672","Ji, Hao; Xu, Xu-Dong","2-Chloro-5-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine","Acta Crystallographica Section E","2011","67","12","o3490","","10.1107/S1600536811050410","","","0.71073","MoKα","","0.1257","0.0599","","","0.1207","0.1474","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232969","16.5255","0.0008","14.6588","0.0007","17.0536","0.0008","90","","90","","90","","4131.1","0.3","171","2","171","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Acetonitrile-κ<i>N</i>)chloridobis[2-(pyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C24 H19 Cl Ir N3 -","- C24 H19 Cl Ir N3 -","- C192 H152 Cl8 Ir8 N24 -","8","1","TK5023","Blasberg, Florian; Bats, Jan W.; Wagner, Matthias; Lerner, Hans-Wolfram","(Acetonitrile-κ<i>N</i>)chloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2011","67","12","m1837","m1838","10.1107/S1600536811049373","","","0.71073","MoKα","","0.0424","0.0259","","","0.0374","0.0399","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232982","32.132","0.008","8.361","0.002","34.836","0.009","90","","90","","90","","9359","4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]","","- C53 H36 Cu5 N11 -","- C53 H36 Cu5 N11 -","- C424 H288 Cu40 N88 -","8","1","VN2020","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Tan, Rongxin; Liu, Shujuan; Su, Shuangyue","Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]","Acta Crystallographica Section E","2011","67","12","m1706","m1707","10.1107/S1600536811045910","","","0.71073","MoKα","","0.1284","0.0633","","","0.103","0.1235","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233001","12.3604","0.0017","17.341","0.003","21.101","0.003","90","","90","","90","","4522.8","1.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","9-(2,5-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C24 H20 F3 N O5 S -","- C24 H20 F3 N O5 S -","- C192 H160 F24 N8 O40 S8 -","8","1","XU5358","Trzybiński, Damian; Krzymiński, Karol; Błażejowski, Jerzy","9-(2,5-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2011","67","12","o3205","o3206","10.1107/S1600536811045090","","","0.71073","MoKα","","0.137","0.0606","","","0.1484","0.1845","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233059","14","0.003","12.133","0.002","23.832","0.004","90","","90","","90","","4048.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile- κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)","","- C20 H12 Ag N9 O3 -","- C20 H12 Ag N9 O3 -","- C160 H96 Ag8 N72 O24 -","8","1","ZQ2135","Zhang, Fan; Yang, Yong-Li","(Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)","Acta Crystallographica Section E","2011","67","12","m1863","","10.1107/S1600536811049221","","","0.71073","MoKα","","0.0646","0.0336","","","0.0808","0.099","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233070","11.7737","0.0005","8.1122","0.0003","26.0694","0.001","90","","90","","90","","2489.9","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","","- C15 H10 N2 O S -","- C15 H10 N2 O S -","- C120 H80 N16 O8 S8 -","8","1","ZS2165","Wang, Zhiming; Yu, Bin; Li, Shen; Zou, Caihong; Sun, Xiaoqiang","2-Methyl-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","Acta Crystallographica Section E","2011","67","12","o3506","","10.1107/S1600536811050501","","","0.71073","MoKα","","0.0509","0.0386","","","0.0901","0.0974","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233089","16.886","0.003","7.6022","0.0015","18.07","0.004","90","","90","","90","","2319.7","0.8","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","","- C12 H22 Mn2 N2 O18 S2 -","- C12 H22 Mn2 N2 O18 S2 -","- C48 H88 Mn8 N8 O72 S8 -","4","0.5","BQ2328","Rasekh, Hossein Ali; Bahrami, Bohlul","Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","Acta Crystallographica Section E","2012","68","1","m88","","10.1107/S1600536811054596","","","0.71073","MoKα","","0.0459","0.0278","","","0.0508","0.0753","","","","","","1.264","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233099","5.0148","0.0006","12.864","0.002","46.314","0.005","90","","90","","90","","2987.7","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C112 H112 Cl8 N8 O32 S8 -","8","1","BT5739","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","1","o46","","10.1107/S1600536811051932","","","0.71073","MoKα","","0.1434","0.1045","","","0.1718","0.185","","","","","","1.352","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233115","13.5","0.01","7.571","0.006","16.738","0.012","90","","90","","90","","1711","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]- 2,4-dimethylaniline","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","0.5","CV5204","Yuan, Jianchao; Miao, Chengping; Xu, Weibing; Yuan, Bingnian","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]-2,4-dimethylaniline","Acta Crystallographica Section E","2012","68","1","o164","","10.1107/S1600536811053244","","","0.71073","MoKα","","0.082","0.0516","","","0.1536","0.1746","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233129","11.6158","0.0011","15.9119","0.0016","19.302","0.002","90","","90","","90","","3567.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C152 H136 Cl8 N16 O24 -","8","1","EZ2274","Yang, Xiao-Li","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate","Acta Crystallographica Section E","2012","68","1","o123","","10.1107/S1600536811052937","","","0.71073","MoKα","","0.1139","0.0551","","","0.0812","0.0934","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233148","9.689","0.008","7.44","0.006","35.53","0.03","90","","90","","90","","2561","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","1","GG2065","Ge, Yu-Hua; Wu, Dong-En; Luo, Yang-Hui","3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile","Acta Crystallographica Section E","2012","68","1","o207","","10.1107/S1600536811054225","","","0.71073","MoKα","","0.0514","0.0383","","","0.1066","0.1269","","","","","","1.163","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233160","12.0056","0.0016","19.283","0.003","20.183","0.003","90","","90","","90","","4672.4","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(4-<i>tert</i>-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl- 1<i>H</i>-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C192 H232 N24 O16 -","8","1","HB6506","Yang, Guiqiu; Wang, Yang; Yu, Haibo","(<i>E</i>)-2-(4-<i>tert</i>-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl-1<i>H</i>-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2012","68","1","o64","","10.1107/S1600536811052007","","","0.71073","MoKα","","0.0719","0.0482","","","0.1303","0.1479","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233166","22.864","0.005","16.6","0.003","13.335","0.003","90","","90","","90","","5061.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzyl-4-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C240 H160 Cl16 N16 O32 -","16","2","HB6540","Wang, De Cai; Leng, Bo Rong; Wang, Gui Bin; Wei, Ping; Ou-yang, Ping Kai","1-Benzyl-4-chloroindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o37","","10.1107/S1600536811051816","","","0.71073","MoKα","","0.171","0.0642","","","0.096","0.1173","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233179","7.2934","0.0015","13.065","0.003","17.902","0.004","90","","90","","90","","1705.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1<i>H</i>-indole-3-carboxylic acid","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C72 H48 Cl8 N8 O16 -","8","1","HB6559","Han, Xue-Lian; Luo, Yang-Hui","5-Chloro-1<i>H</i>-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o145","","10.1107/S1600536811053384","","","0.71073","MoKα","","0.0468","0.0374","","","0.0986","0.1038","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233201","20.888","0.004","7.9112","0.0015","25.197","0.005","90","","90","","90","","4163.8","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","","- C16 H12 F I3 N2 Pb -","- C16 H12 F I3 N2 Pb -","- C128 H96 F8 I24 N16 Pb8 -","8","1","IM2337","Zhao, Hai-Rong","<i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","Acta Crystallographica Section E","2012","68","1","m19","","10.1107/S1600536811051853","","","0.71073","MoKα","","0.1488","0.047","","","0.0657","0.0818","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233217","15.8554","0.0002","15.3988","0.0002","16.2292","0.0002","90","","90","","90","","3962.43","0.09","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C184 H176 N32 O32 -","8","1","IS5032","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o247","o248","10.1107/S1600536811054572","","","0.71073","MoKα","","0.0718","0.0508","","","0.1153","0.126","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233250","10.46","0.006","14.434","0.008","19.908","0.012","90","","90","","90","","3006","3","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido- di-μ~2~-iodido-tetracopper(I)","","- C20 H16 Cu4 I4 N4 S4 -","- C20 H16 Cu4 I4 N4 S4 -","- C80 H64 Cu16 I16 N16 S16 -","4","0.5","MW2029","Wang, Yu-Hong; Zhu, Xue-Hua","Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido-di-μ~2~-iodido-tetracopper(I)","Acta Crystallographica Section E","2012","68","1","m18","","10.1107/S160053681105152X","","","0.71075","MoKα","","0.0601","0.0482","","","0.0823","0.0874","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233272","7.2464","0.0014","14.416","0.003","21.27","0.004","90","","90","","90","","2222","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-nitrobiphenyl","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","PV2490","Chao, Xuqiang; Zhang, Xiuqin; Wang, Kai; Ji, Jun; Chen, Qiang","4-Methoxy-3-nitrobiphenyl","Acta Crystallographica Section E","2012","68","1","o114","","10.1107/S1600536811052846","","","0.71073","MoKα","","0.0561","0.0473","","","0.1279","0.134","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233291","8.986","0.007","7.041","0.006","33.68","0.03","90","","90","","90","","2131","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","","- C9 H8 N2 O8 -","- C9 H8 N2 O8 -","- C72 H64 N16 O64 -","8","1","RZ2687","Zhang, You-Ming; Ming, Jian-Jun; Dang, Jian-Peng; Zhang, Wan-Qiang; Wei, Tai-Bao","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o230","","10.1107/S160053681105416X","","","0.71073","MoKα","","0.0581","0.0476","","","0.1035","0.109","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233322","13.1985","0.0008","15.5714","0.0009","18.1926","0.0011","90","","90","","90","","3738.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-2,4,6- trimethylisophthalato- κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","","- C21 H18 Cd N2 O4 -","- C21 H18 Cd N2 O4 -","- C168 H144 Cd8 N16 O32 -","8","1","XU5394","Hou, Shao-Gang; Jin, Mei-Fang","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-2,4,6-trimethylisophthalato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","Acta Crystallographica Section E","2012","68","1","m84","m85","10.1107/S1600536811054183","","","0.71073","MoKα","","0.0983","0.0449","","","0.0813","0.0981","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233330","10.716","0.002","10.057","0.002","36.101","0.007","90","","90","","90","","3890.6","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Methyl-3,5-dinitrobenzamide","","- C8 H7 N3 O5 -","- C8 H7 N3 O5 -","- C128 H112 N48 O80 -","16","2","XU5409","Deng, Gui-Ming; Wang, Chao-Run; Chen, Zhen; Zhang, He-Ming","<i>N</i>-Methyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","1","o209","","10.1107/S1600536811053888","","","0.71073","MoKα","","0.1502","0.0669","","","0.1338","0.162","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233342","12.29","0.0002","24.797","0.0006","25.608","0.0006","90","","90","","90","","7804.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2- yl)methyl]benzonitrile","","- C23 H16 N2 O4 S -","- C23 H16 N2 O4 S -","- C368 H256 N32 O64 S16 -","16","2","ZL2435","Sattar, Nazia; Siddiqui, Hamid Latif; Hussain, Tanvir; Aslam, Sana; Parvez, Masood","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)methyl]benzonitrile","Acta Crystallographica Section E","2012","68","1","o91","","10.1107/S1600536811052706","","","0.71073","MoKα","","0.1183","0.0789","","","0.1443","0.1639","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233367","12.1127","0.0008","11.7625","0.0008","18.73","0.001","90","","90","","90","","2668.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzoyl-2-nitrobenzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C104 H80 N16 O40 S8 -","8","1","BQ2330","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Nirmala, B.","<i>N</i>-Benzoyl-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o339","","10.1107/S1600536811055917","","","0.71073","MoKα","","0.0678","0.0434","","","0.0976","0.1102","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233370","12.227","0.001","12.854","0.001","18.317","0.002","90","","90","","90","","2878.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","BQ2333","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o462","","10.1107/S160053681200164X","","","0.71073","MoKα","","0.0593","0.044","","","0.1127","0.1244","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233373","7.2163","0.0002","20.9627","0.0004","22.4624","0.0004","90","","90","","90","","3397.96","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","","- C16 H21 B O6 -","- C16 H21 B O6 -","- C128 H168 B8 O48 -","8","1","BT5730","Yi, Long-tao; Liu, Zhi-qiang","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o275","","10.1107/S1600536811054559","","","0.71073","MoKα","","0.0931","0.0462","","","0.1161","0.1419","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233378","12.266","0.001","12.643","0.001","18.738","0.002","90","","90","","90","","2905.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","BT5759","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o274","","10.1107/S1600536811054882","","","0.71073","MoKα","","0.0571","0.037","","","0.0888","0.0961","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233393","9.477","0.0019","20.109","0.004","34.595","0.007","90","","90","","90","","6593","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","","- C21 H21 N O -","- C21 H21 N O -","- C336 H336 N16 O16 -","16","2","BT5787","Jamjah, Roghayieh; Nekoomanesh, Mehdi; Zahedi, Roya; Zohuri, Gholamhossein; Afshar Taromi, Faramarz; Notash, Behrouz","(<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","2","o522","","10.1107/S1600536812002395","","","0.71073","MoKα","","0.1118","0.0671","","","0.1347","0.1545","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233415","13.221","0.002","9.5336","0.0018","21.62","0.002","90","","90","","90","","2725.1","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CV5225","Tang, Chun-Bao","<i>N</i>'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","2","o296","","10.1107/S1600536811055565","","","0.71073","MoKα","","0.0954","0.0611","","","0.1046","0.1167","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233431","10.2342","0.0006","10.5673","0.0006","27.3485","0.0017","90","","90","","90","","2957.7","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C128 H128 N16 O48 -","8","1","FF2050","Wang, Peng-Peng; Lin, Qiu-Yue; Zhang, Fan","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","Acta Crystallographica Section E","2012","68","2","o381","","10.1107/S1600536812000542","","","0.71073","MoKα","","","0.0825","","","0.1879","0.224","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233529","15.6737","0.0005","8.2831","0.0002","22.3326","0.0007","90","","90","","90","","2899.37","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Ethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","IS5044","Farrukh, Muhammad Akhyar; Faryal, Komal; Mahboob, Maymoona; Qureshi, Fahim Ashraf; Akkurt, Mehmet","<i>N</i>-Ethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o326","","10.1107/S1600536812000177","","","0.71073","MoKα","","0.0654","0.0435","","","0.1166","0.1363","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233543","14.6525","0.0003","10.2523","0.0003","19.2425","0.0004","90","","90","","90","","2890.64","0.12","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-Bis(2-methylphenyl)-3-nitroformazan","2-[(2-methylphenyl)amino]-3-[(2-methylphenyl)imino]-1,1-dioxoguanidine","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C120 H120 N40 O16 -","8","1","KP2378","von Eschwege, Karel G.; Hosten, Eric C.; Muller, Alfred","1,5-Bis(2-methylphenyl)-3-nitroformazan","Acta Crystallographica Section E","2012","68","2","o425","","10.1107/S1600536812001171","","","0.71073","MoKα","","0.0892","0.0603","","","","0.1797","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233544","7.7978","0.0009","10.7744","0.0012","35.325","0.004","90","","90","","90","","2967.9","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]","","- C17 H12 Cu N3 S -","- C17 H12 Cu N3 S -","- C136 H96 Cu8 N24 S8 -","8","1","KP2379","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Wang, Hui","<i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","2","m165","","10.1107/S1600536812000682","","","0.71073","MoKα","","0.051","0.0347","","","0.0838","0.0914","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233546","15.922","0.005","10.107","0.005","19.034","0.005","90","","90","","90","","3063","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C120 H144 I8 N8 O16 -","8","1","KP2383","Paramasivam, S.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o506","","10.1107/S1600536812002255","","","0.71073","MoKα","","0.0441","0.0267","","","0.0651","0.0737","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233571","12.4072","0.0004","9.8528","0.0004","24.7872","0.001","90","","90","","90","","3030.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C120 H128 N16 O24 S8 -","8","1","LX2224","Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Türktekin, Sevim; Akkurt, Mehmet","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2012","68","2","o437","","10.1107/S1600536812001274","","","0.71073","MoKα","","0.1304","0.0591","","","0.12","0.1459","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233572","16.7869","0.0004","15.1506","0.0006","20.6617","0.0006","90","","90","","90","","5254.9","0.3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","loperamide monohydrate","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-<i>N</i>,<i>N</i>-dimethyl- 2,2-diphenylbutanamide monohydrate","","- C29 H35 Cl N2 O3 -","- C29 H35 Cl N2 O3 -","- C232 H280 Cl8 N16 O24 -","8","1","LX2225","Jasinski, Jerry P.; Guild, Curtis J.; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.","Redetermination of loperamide monohydrate","Acta Crystallographica Section E","2012","68","2","o539","o540","10.1107/S1600536812003091","","","0.71073","MoKα","","0.0548","0.0439","","","0.1008","0.1069","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233594","5.414","0.0011","14.88","0.003","21.304","0.004","90","","90","","90","","1716.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-(trifluoromethyl)aniline","","- C8 H8 F3 N O -","- C8 H8 F3 N O -","- C64 H64 F24 N8 O8 -","8","1","PV2499","He, Jian-Ling","4-Methoxy-3-(trifluoromethyl)aniline","Acta Crystallographica Section E","2012","68","2","o377","","10.1107/S160053681200030X","","","0.71073","MoKα","","0.0727","0.059","","","0.1517","0.1624","","","","","","1.126","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233597","7.471","0.005","14.916","0.005","15.338","0.005","90","","90","","90","","1709.2","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methylpyridine‒urea (1/1)","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C56 H88 N24 O8 -","8","1","PV2503","Ashurov, Jamshid; Ibragimov, Bakhtiyar; Talipov, Samat","2-Methylpyridine‒urea (1/1)","Acta Crystallographica Section E","2012","68","2","o504","","10.1107/S1600536812002164","","","1.54184","CuKα","","0.0901","0.0557","","","0.1447","0.1665","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233599","7.9079","0.0004","14.1253","0.0006","15.9555","0.0007","90","","90","","90","","1782.25","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Ethoxyphenyl)formamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","PV2505","Rofouei, Mohammad Kazem; Attar Gharamaleki, Jafar; Younesian, Fereshteh; Bruno, Giuseppe; Rudbari, Hadi Amiri","<i>N</i>-(2-Ethoxyphenyl)formamide","Acta Crystallographica Section E","2012","68","2","o505","","10.1107/S160053681200205X","","","0.71073","MoKα","","0.0791","0.0433","","","0.1024","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233604","13.992","0.004","7.219","0.002","30.232","0.009","90","","90","","90","","3053.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C120 H128 Br8 N8 O32 -","8","1","QM2045","Mao, Cheng-Gong; Wang, Shuang-Shuang; Su, Deng-Cheng; Qian, Shao-Song","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","Acta Crystallographica Section E","2012","68","2","o249","","10.1107/S1600536811054742","","","0.71073","MoKα","","0.085","0.0451","","","0.0948","0.1132","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233621","7.9288","0.001","15.881","0.002","30.069","0.004","90","","90","","90","","3786.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","","- C19 H13 Fe N4 O8 -","- C19 H13 Fe N4 O8 -","- C152 H104 Fe8 N32 O64 -","8","1","RZ2696","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","Acta Crystallographica Section E","2012","68","2","m174","","10.1107/S1600536812001493","","","0.71073","MoKα","","0.0405","0.0333","","","0.0815","0.086","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233627","11.6861","0.0003","11.4616","0.0003","31.3782","0.0009","90","","90","","90","","4202.8","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","","- C19 H18 Br4 N2 O2 -","- C19 H18 Br4 N2 O2 -","- C152 H144 Br32 N16 O16 -","8","1","SU2354","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","Acta Crystallographica Section E","2012","68","2","o323","","10.1107/S1600536811055899","","","0.71073","MoKα","","0.1238","0.0473","","","0.1012","0.1375","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233667","7.0724","0.0003","18.3069","0.0007","19.1309","0.0007","90","","90","","90","","2476.95","0.17","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","","- C12 H8 N8 Pd -","- C12 H8 N8 Pd -","- C96 H64 N64 Pd8 -","8","1","WM2583","Ha, Kwang","Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2012","68","2","m145","","10.1107/S1600536812001201","","","0.71073","MoKα","","0.0559","0.0326","","","0.0659","0.0839","","","","","","1.088","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233687","8.7791","0.0006","14.1747","0.0011","20.1577","0.0014","90","","90","","90","","2508.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[4-(Propylsulfamoyl)phenyl]acetamide","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C88 H128 N16 O24 S8 -","8","1","XU5426","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Khan, Islam Ullah; Akkurt, Mehmet","<i>N</i>-[4-(Propylsulfamoyl)phenyl]acetamide","Acta Crystallographica Section E","2012","68","2","o290","o291","10.1107/S1600536811055528","","","0.71073","MoKα","","0.1359","0.0572","","","0.1355","0.1728","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233710","10.053","0.003","22.357","0.007","23.099","0.008","90","","90","","90","","5192","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-4-carboxylate-κ<i>N</i>)cobalt(III) chloroform monosolvate","","- C17 H24 Cl4 Co N5 O6 -","- C17 H24 Cl4 Co N5 O6 -","- C136 H192 Cl32 Co8 N40 O48 -","8","1","ZL2444","Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-4-carboxylate-κ<i>N</i>)cobalt(III) chloroform monosolvate","Acta Crystallographica Section E","2012","68","2","m204","m205","10.1107/S1600536812002449","","","0.71073","MoKα","","0.0706","0.0514","","","0.1461","0.1583","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233759","10.07","0.005","14.12","0.004","27.229","0.005","90","","90","","90","","3872","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C168 H184 N8 O32 S8 -","8","1","BT5826","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide","Acta Crystallographica Section E","2012","68","3","o890","","10.1107/S1600536812008203","","","0.71073","MoKα","","0.085","0.045","","","0.1004","0.1197","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233819","21.9905","0.0003","8.1864","0.0001","26.676","0.0003","90","","90","","90","","4802.29","0.1","119.9","","119.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10,16-Dichloro-6,20-dioxa-3,23- diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa- 1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","","- C26 H26 Cl2 N2 O5 -","- C26 H26 Cl2 N2 O5 -","- C208 H208 Cl16 N16 O40 -","8","1","GK2457","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o805","o806","10.1107/S1600536812007052","","","1.5418","CuKα","","0.0449","0.0326","","","0.0755","0.0815","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233822","13.108","0.003","15.65","0.003","33.967","0.007","90","","90","","90","","6968","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) dioxide dihydrate","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate","","- C38 H36 O6 P2 -","- C38 H36 O6 P2 -","- C304 H288 O48 P16 -","8","1","HB6568","Dai, Dongmei; Tang, Lin; Gong, Yanqing","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate","Acta Crystallographica Section E","2012","68","3","o804","","10.1107/S1600536812005314","","","1.54178","CuKα","","0.0618","0.0438","","","0.1169","0.1302","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233847","18.2485","0.0005","8.8043","0.0002","18.6913","0.0005","90","","90","","90","","3003.04","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3- ylidene)thiosemicarbazide","","- C15 H10 F N5 O3 S -","- C15 H10 F N5 O3 S -","- C120 H80 F8 N40 O24 S8 -","8","1","HB6630","Pervez, Humayun; Manzoor, Nazia; Yaqub, Muhammad; Tahir, M. Nawaz","(<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","3","o670","","10.1107/S1600536812005053","","","0.71073","MoKα","","0.0466","0.0373","","","0.0921","0.1018","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233855","11.785","0.002","12.716","0.003","13.288","0.003","90","","90","","90","","1991.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diisopropylammonium thiocyanate","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C56 H128 N16 S8 -","8","1","HB6639","Xu, Jie","Diisopropylammonium thiocyanate","Acta Crystallographica Section E","2012","68","3","o894","","10.1107/S1600536812007349","","","0.71073","MoKα","","0.0576","0.045","","","0.1007","0.1068","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233866","18.637","0.0013","11.6257","0.0005","7.474","0.0003","90","","90","","90","","1619.38","0.15","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Iodo-4-methoxy-2-nitrobenzene","","- C7 H6 I N O3 -","- C7 H6 I N O3 -","- C56 H48 I8 N8 O24 -","8","1","HG5176","Wardell, James L.; Tiekink, Edward R. T.","1-Iodo-4-methoxy-2-nitrobenzene","Acta Crystallographica Section E","2012","68","3","o761","","10.1107/S1600536812006484","","","0.71073","MoKα","","0.0166","0.0139","","","0.0374","0.0386","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233924","12.7282","0.0004","14.0676","0.0004","17.0771","0.0005","90","","90","","90","","3057.74","0.16","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,3,3-Tetraethylisoindolin-2-ium chloride","","- C16 H26 Cl N -","- C16 H26 Cl N -","- C128 H208 Cl8 N8 -","8","1","LH5407","Smith, Graham; Wermuth, Urs D.","1,1,3,3-Tetraethylisoindolin-2-ium chloride","Acta Crystallographica Section E","2012","68","3","o659","","10.1107/S1600536812004588","","","0.71073","MoKα","","0.0568","0.0342","","","0.0815","0.0861","","","","","","0.912","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233947","12.2046","0.0008","12.6121","0.0009","18.433","0.001","90","","90","","90","","2837.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","NC2268","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","<i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o786","","10.1107/S160053681200640X","","","0.71073","MoKα","","0.1214","0.0742","","","0.1296","0.1473","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233958","16.2068","0.0012","7.8839","0.0006","27.262","0.002","90","","90","","90","","3483.3","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{2-[(3-Bromobenzylidene)-amino]-5-chlorophenyl}(phenyl)methanone","","- C20 H13 Br Cl N O -","- C20 H13 Br Cl N O -","- C160 H104 Br8 Cl8 N8 O8 -","8","1","PV2506","Aslam, M.; Anis, I.; Afza, N.; Safder, M.; Yousuf, S.","{2-[(3-Bromobenzylidene)amino]-5-chlorophenyl}(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o645","","10.1107/S1600536812004667","","","0.71073","MoKα","","0.09","0.0445","","","0.0951","0.115","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233997","10.7019","0.0014","7.1483","0.0009","32.404","0.004","90","","90","","90","","2478.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Diiodo-6-[(propylimino)methyl]phenol","","- C10 H11 I2 N O -","- C10 H11 I2 N O -","- C80 H88 I16 N8 O8 -","8","1","SJ5194","Liu, Peng-Gang; Wang, Xiao-Ning; Yang, Yong-An; Zhu, Hai-Liang","2,4-Diiodo-6-[(propylimino)methyl]phenol","Acta Crystallographica Section E","2012","68","3","o789","","10.1107/S1600536812005727","","","0.71073","MoKα","","0.0445","0.035","","","0.0969","0.1044","","","","","","1.234","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234022","12.2057","0.0005","11.8169","0.0005","31.8157","0.0015","90","","90","","90","","4588.9","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","","- C19 H18 I4 N2 O2 -","- C19 H18 I4 N2 O2 -","- C152 H144 I32 N16 O16 -","8","1","VM2150","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]-2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o564","","10.1107/S1600536812003704","","","0.71073","MoKα","","0.1166","0.0436","","","0.0628","0.0794","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234024","12.8288","0.0014","16.8812","0.0017","31.089","0.003","90","","90","","90","","6732.8","1.2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato- κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'} bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","","- C34 H20 Fe2 N2 O6 S4 -","- C34 H20 Fe2 N2 O6 S4 -","- C272 H160 Fe16 N16 O48 S32 -","8","1","VM2158","Gao, Shang; Jiang, Da-yong; Liang, Qing-cheng; Duan, Qian","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2012","68","3","m330","","10.1107/S1600536812007581","","","0.71073","MoKα","","0.0828","0.0431","","","0.095","0.1072","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234034","14.1266","0.0013","18.8197","0.0017","25.059","0.002","90","","90","","90","","6662.1","1","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2- en-2-yl}anilinido)zinc","","- C38 H42 N4 Zn -","- C38 H42 N4 Zn -","- C304 H336 N32 Zn8 -","8","1","WM2594","Vaughan, Benjamin A.; Wetherby, Anthony E.; Waterman, Rory","Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2-en-2-yl}anilinido)zinc","Acta Crystallographica Section E","2012","68","3","m343","","10.1107/S1600536812007878","","","0.71073","MoKα","","0.0435","0.0362","","","0.1044","0.1111","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234035","9.7841","0.0004","9.2116","0.0004","21.2663","0.0008","90","","90","","90","","1916.67","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(methylsulfanyl)methyl]benzamide","","- C9 H11 N O S -","- C9 H11 N O S -","- C72 H88 N8 O8 S8 -","8","1","WN2467","Khan, Muhammad Riaz; Khan, Azim; Tahir, M. Nawaz; Adeel, Muhammad; Ahmad, Saeed","<i>N</i>-[(Methylsulfanyl)methyl]benzamide","Acta Crystallographica Section E","2012","68","3","o653","","10.1107/S1600536812004515","","","0.71073","MoKα","","0.0596","0.0413","","","0.1066","0.1162","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234043","12.762","0.002","7.9495","0.001","22.218","0.003","90","","90","","90","","2254","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","XU5454","Mosslemin, Mohammad Hossein","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","Acta Crystallographica Section E","2012","68","3","o583","","10.1107/S1600536812003455","","","0.71073","MoKα","","0.1431","0.0831","","","","0.1394","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234054","9.573","0.0002","8.7748","0.0002","32.062","0.0007","90","","90","","90","","2693.25","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","XU5470","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2012","68","3","o737","","10.1107/S1600536812006290","","","1.5418","CuKα","","0.0436","0.0368","","","0.0946","0.1012","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234058","13.969","0.001","9.6591","0.0006","21.026","0.002","90","","90","","90","","2837","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","YK2044","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o888","","10.1107/S1600536812007854","","","0.71073","MoKα","","0.1074","0.062","","","0.1349","0.1524","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234132","7.6338","0.0002","15.5335","0.0004","28.796","0.0007","90","","90","","90","","3414.62","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-4-[(<i>E</i>)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","","- C19 H18 Cl N3 O3 -","- C19 H18 Cl N3 O3 -","- C152 H144 Cl8 N24 O24 -","8","1","BT5858","de Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","7-Chloro-4-[(<i>E</i>)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","Acta Crystallographica Section E","2012","68","4","o1214","o1215","10.1107/S1600536812012755","","","0.71073","MoKα","","0.0429","0.0355","","","0.0962","0.1008","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234154","7.4268","0.0012","11.3884","0.0018","39.447","0.006","90","","90","","90","","3336.4","0.9","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","DS2176","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o974","","10.1107/S1600536812008847","","","0.71073","MoKα","","0.1009","0.0562","","","0.1299","0.1541","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234169","12.4226","0.0002","13.4414","0.0002","19.2137","0.0003","90","","90","","90","","3208.25","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","","- C15 H17 F6 Fe N2 P -","- C15 H17 F6 Fe N2 P -","- C120 H136 F48 Fe8 N16 P8 -","8","1","FJ2522","Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","4","m353","","10.1107/S1600536812008719","","","0.71073","MoKα","","0.0263","0.024","","","0.0621","0.0644","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234176","14.845","0.0006","8.098","0.0004","27.391","0.0011","90","","90","","90","","3292.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide","","- C18 H27 N3 O -","- C18 H27 N3 O -","- C144 H216 N24 O8 -","8","1","FJ2532","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","<i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1205","","10.1107/S1600536812011774","","","1.5418","CuKα","","","0.0395","","","","0.1112","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234184","19.3334","0.0019","12.1156","0.0012","20.644","0.002","90","","90","","90","","4835.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl- 5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","","- C23 H27 Cl N6 O3 -","- C23 H27 Cl N6 O3 -","- C184 H216 Cl8 N48 O24 -","8","1","GG2077","Sun, Chuan-Wen; Chen, Yan-Xia; Liu, Tian-Yan","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1146","","10.1107/S1600536812011750","","","0.71073","MoKα","","0.0706","0.0478","","","0.124","0.1353","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234189","6.3356","0.0002","16.3222","0.0005","22.0471","0.0007","90","","90","","90","","2279.91","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C112 H72 N8 O16 S8 -","8","1","GK2459","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","4","o961","","10.1107/S1600536812008914","","","0.71073","MoKα","","0.0612","0.0391","","","0.0933","0.1053","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234217","10.5179","0.0003","12.4857","0.0003","22.7237","0.0006","90","","90","","90","","2984.15","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","","- C12 H14 N4 O4 S -","- C12 H14 N4 O4 S -","- C96 H112 N32 O32 S8 -","8","1","HB6660","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1030","","10.1107/S1600536812009865","","","1.54178","CuKα","","0.0512","0.0445","","","0.1387","0.1442","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234219","4.9387","0.0019","19.7","0.007","21.616","0.008","90","","90","","90","","2103.1","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","1","HB6663","Jia, Chunman; Chen, Shangwen; Yuan, Wenbing","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","Acta Crystallographica Section E","2012","68","4","o1098","","10.1107/S1600536812009518","","","0.71073","MoKα","","0.0669","0.0564","","","0.1569","0.1667","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234222","12.6102","0.0012","7.3497","0.001","26.569","0.004","90","","90","","90","","2462.4","0.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-2-[(2<i>H</i>-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro- 1<i>H</i>-inden-1-one","","- C17 H12 O3 -","- C17 H12 O3 -","- C136 H96 O24 -","8","1","HB6667","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-[(2<i>H</i>-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","4","o1015","","10.1107/S1600536812009464","","","0.71073","MoKα","","0.1053","0.0553","","","0.109","0.1355","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234233","12.0827","0.0006","7.7848","0.0003","27.6527","0.0016","90","","90","","90","","2601.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","HB6681","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","(4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1154","","10.1107/S1600536812011579","","","0.71073","MoKα","","0.0684","0.0438","","","0.0934","0.1088","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234284","11.5555","0.0012","10.1981","0.0011","22.843","0.002","90","","90","","90","","2691.9","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","IS5087","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Fun, Hoong-Kun; Chia, Tze Shyang","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1033","","10.1107/S160053681200966X","","","1.54178","CuKα","","0.0787","0.0451","","","0.1112","0.1235","","","","","","0.891","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234287","6.8322","0.0002","16.8974","0.0005","25.7968","0.0006","90","","90","","90","","2978.15","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Acetyl-1,5-diphenyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C144 H104 N24 O8 -","8","1","IS5091","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Acetyl-1,5-diphenyl-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1095","o1096","10.1107/S1600536812010938","","","1.54178","CuKα","","0.0453","0.0387","","","0.1109","0.1161","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234297","10.3732","0.0017","7.996","0.0013","37.665","0.006","90","","90","","90","","3124.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-((1H-imidazol-1-yl)methyl)-1-(4-(trifluoromethyl)phenyl)-1H-indole","2-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>- indole","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C152 H112 F24 N24 -","8","1","JJ2125","Wang, Rui; Shi, Hong-fan; Du, Lin; Zhao, Jing-feng; Liu, Jian-ping","2-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","4","o1081","","10.1107/S1600536812010471","","","0.71073","MoKα","","0.1174","0.0791","","","0.1863","0.2142","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234300","14.5445","0.0006","8.3832","0.0003","16.2341","0.0006","90","","90","","90","","1979.41","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Nitrophenyl)morpholine","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","KJ2195","Wang, Li-Jiao; Li, Wei-Wei; Yang, Sheng-Yong; Yang, Li","4-(4-Nitrophenyl)morpholine","Acta Crystallographica Section E","2012","68","4","o1235","","10.1107/S1600536812012172","","","0.71073","MoKα","","0.074","0.0478","","","0.106","0.1213","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234328","8.3321","0.0004","19.4037","0.0011","27.5887","0.0014","90","","90","","90","","4460.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10- dihydrophenanthren-3-yl]acetamide","","- C27 H21 N3 O3 -","- C27 H21 N3 O3 -","- C216 H168 N24 O24 -","8","1","LH5437","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide","Acta Crystallographica Section E","2012","68","4","o1177","o1178","10.1107/S160053681201210X","","","0.71073","MoKα","","0.0933","0.0608","","","0.1419","0.1664","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234330","9.3808","0.0019","10.925","0.002","23.54","0.005","90","","90","","90","","2412.5","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Cyclohexylpyrrolidine-1-carbothioamide","","- C11 H20 N2 S -","- C11 H20 N2 S -","- C88 H160 N16 S8 -","8","1","LH5439","Li, Yu-Feng","<i>N</i>-Cyclohexylpyrrolidine-1-carbothioamide","Acta Crystallographica Section E","2012","68","4","o1220","","10.1107/S1600536812012627","","","0.71073","MoKα","","0.0826","0.0531","","","0.1653","0.1903","","","","","","1.183","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234350","17.9615","0.0005","11.2633","0.0003","19.5904","0.0006","90","","90","","90","","3963.3","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)- 3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C192 H152 N8 O48 S8 -","8","1","PK2393","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione","Acta Crystallographica Section E","2012","68","4","o978","o979","10.1107/S1600536812009002","","","0.71073","MoKα","","0.1046","0.0684","","","0.114","0.1329","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234353","11.8823","0.0014","7.8835","0.0009","24.835","0.003","90","","90","","90","","2326.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,6-diiodo-9H-carbazole","3,6-Diiodo-9<i>H</i>-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C96 H56 I16 N8 -","8","1","PK2397","Xie, Yu-Zhong; Jin, Jing-Yi; Jin, Guang-De","3,6-Diiodo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1242","","10.1107/S1600536812012901","","","0.71073","MoKα","","0.04","0.0256","","","0.0482","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234377","7.696","0.003","22.658","0.008","16.03","0.006","90","","90","","90","","2795.2","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Bromobutyl)-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","RK2343","Wang, Qing-Peng; Chang, Juan-Juan; Zhang, Hui-Zhen; Lv, Jing-Song; Zhou, Cheng-He","9-(4-Bromobutyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1112","","10.1107/S1600536812010987","","","0.71073","MoKα","","0.1193","0.0496","","","0.1177","0.1452","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234391","10.7985","0.0016","8.3971","0.0012","17.485","0.003","90","","90","","90","","1585.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azido-1-(4-fluorophenyl)ethanone","","- C8 H6 F N3 O -","- C8 H6 F N3 O -","- C64 H48 F8 N24 O8 -","8","1","RZ2730","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-fluorophenyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1268","","10.1107/S1600536812013426","","","0.71073","MoKα","","0.0407","0.0329","","","0.0852","0.0902","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234401","8.4221","0.0006","14.3704","0.0009","23.7031","0.0016","90","","90","","90","","2868.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cyclooctanaminium hydrogen succinate monohydrate","","- C12 H25 N O5 -","- C12 H25 N O5 -","- C96 H200 N8 O40 -","8","1","SJ5211","Khorasani, Sanaz; Fernandes, Manuel A.","Cyclooctanaminium hydrogen succinate monohydrate","Acta Crystallographica Section E","2012","68","4","o1204","","10.1107/S1600536812011208","","","0.71073","MoKα","","0.0828","0.0504","","","0.1306","0.145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234446","15.3105","0.0008","7.2983","0.0004","29.5679","0.0015","90","","90","","90","","3303.9","0.3","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine- 3,7-dicarboxylato] monohydrate]","","- C15 H17 Co N O8 S -","- C15 H17 Co N O8 S -","- C120 H136 Co8 N8 O64 S8 -","8","1","WM2597","Hu, Yun-Xia; Zhou, Yan; Wang, Fang-Ming; Zhang, Wen-Wei","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2012","68","4","m402","m403","10.1107/S1600536812009580","","","0.71073","MoKα","","0.0531","0.0428","","","0.1009","0.1035","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234480","19.2421","0.0004","11.6938","0.0002","24.9769","0.0005","90","","90","","90","","5620.13","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl- 1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","","- C66 H62 B2 O1.5 P4 -","- C66 H62 B2 O1.5 P4 -","- C264 H248 B8 O6 P16 -","4","0.5","YK2048","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl-1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","Acta Crystallographica Section E","2012","68","4","o1125","","10.1107/S1600536812011361","","","0.71073","MoKα","","0.0732","0.0412","","","0.0895","0.0958","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234532","10.298","0.0008","10.0586","0.0009","19.2595","0.0017","90","","90","","90","","1995","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethylammonium 4-hydroxybenzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","BT5869","Sornamurthy, B. M.; Peramaiyan, G.; Chakkaravarthi, G.; Kumar, R. Mohan; Manivannan, V.","Dimethylammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1445","","10.1107/S1600536812016145","","","0.71073","MoKα","","0.0699","0.047","","","0.1251","0.1431","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234543","13.3976","0.0008","6.2101","0.0006","13.6079","0.0009","90","","90","","90","","1132.18","0.15","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methoxypyridin-3-yl)diazene","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","0.5","BT5885","Thies, Steffen; Näther, Christian; Herges, Rainer","Bis(4-methoxypyridin-3-yl)diazene","Acta Crystallographica Section E","2012","68","5","o1568","","10.1107/S1600536812018326","","","0.71073","MoKα","","0.051","0.0385","","","0.098","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234551","14.569","0.002","7.8623","0.0012","17.042","0.003","90","","90","","90","","1952.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5,11,14-tetraazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),2(6),3,7,9,11,14,16-octaene","5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline","","- C13 H8 N4 -","- C13 H8 N4 -","- C104 H64 N32 -","8","1","BX2404","Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2012","68","5","o1448","","10.1107/S1600536812016595","","","0.71073","MoKα","","0.0903","0.0415","","","0.0986","0.1225","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234564","11.2518","0.0014","18.38","0.002","25.86","0.003","90","","90","","90","","5348.1","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","","- C35 H24 N4 O2 -","- C35 H24 N4 O2 -","- C280 H192 N32 O16 -","8","1","CV5273","Shen, Wei-Biao; Zhang, Zhi-Wen; Wang, Li-Wen; Wu, Jie-Ying","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","Acta Crystallographica Section E","2012","68","5","o1358","","10.1107/S1600536812014833","","","0.71073","MoKα","","0.0671","0.0422","","","0.1053","0.1232","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234590","15.2667","0.0011","6.717","0.0004","30.8598","0.0016","90","","90","","90","","3164.6","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","","- C14 H12 Ag B F4 N2 O4 -","- C14 H12 Ag B F4 N2 O4 -","- C112 H96 Ag8 B8 F32 N16 O32 -","8","1","FF2064","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","Acta Crystallographica Section E","2012","68","5","m705","","10.1107/S1600536812018399","","","0.71073","MoKα","","0.1155","0.0578","","","0.121","0.1439","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234602","5.8479","0.0002","13.3438","0.0006","15.0883","0.0008","90","","90","","90","","1177.39","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-Methyl-3,4,5,6-tetrahydropyrimidin-2-one","1-Methyl-1,3-diazinan-2-one","","- C5 H10 N2 O -","- C5 H10 N2 O -","- C40 H80 N16 O8 -","8","1","FK2059","Tiritiris, Ioannis; Kantlehner, Willi","1-Methyl-1,3-diazinan-2-one","Acta Crystallographica Section E","2012","68","5","o1478","","10.1107/S1600536812016522","","","0.71073","MoKα","","0.0486","0.0367","","","0.0858","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234603","15.762","0.003","8.1144","0.0016","16.015","0.003","90","","90","","90","","2048.3","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Cyclopentylidenepyridine-4-carbohydrazide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","FY2050","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","<i>N</i>'-Cyclopentylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1299","","10.1107/S1600536812013815","","","0.71073","MoKα","","","0.0324","","","","0.0813","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234615","8.4295","0.0018","9.924","0.002","15.351","0.004","90","","90","","90","","1284.2","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","HB6688","Chen, Xu; Wu, Xiao-Yong; Zhao, Guo-Liang","2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)","Acta Crystallographica Section E","2012","68","5","o1321","","10.1107/S1600536812013839","","","0.71073","MoKα","","","0.0445","","","0.1055","0.1215","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234619","14.9566","0.0018","11.1123","0.0016","19.351","0.002","90","","90","","90","","3216.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","","- C16 H17 F N2 O4 -","- C16 H17 F N2 O4 -","- C128 H136 F8 N16 O32 -","8","1","HB6695","Zong, Qian-Shou","<i>N</i>'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1338","","10.1107/S1600536812012196","","","0.71073","MoKα","","0.0608","0.0431","","","0.1286","0.1613","","","","","","1.123","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234622","9.6192","0.0019","11.127","0.002","26.574","0.005","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-<i>p</i>-tolylpiperidine-1-carboxamide","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C112 H160 N16 O8 -","8","1","HB6706","Li, Yu-Feng","4-Methyl-<i>N</i>-<i>p</i>-tolylpiperidine-1-carboxamide","Acta Crystallographica Section E","2012","68","5","o1472","","10.1107/S1600536812016248","","","0.71073","MoKα","","0.146","0.072","","","0.1765","0.2203","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234648","9.4305","0.0005","13.9334","0.0008","25.6417","0.0014","90","","90","","90","","3369.3","0.3","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C144 H128 Cl16 O32 -","8","1","HB6742","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1465","","10.1107/S1600536812016339","","","0.71073","MoKα","","0.0345","0.0299","","","0.0831","0.0863","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234649","7.3199","0.0004","11.6311","0.0006","45.875","0.002","90","","90","","90","","3905.7","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylbenzoic acid‒<i>N</i>'-[(<i>E</i>)-4-methylbenzylidene]pyridine-4-carbohydrazide‒ water (1/1/1)","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C176 H184 N24 O32 -","8","1","HB6743","Fun, Hoong-Kun; Ooi, Chin Wei; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","4-Methylbenzoic acid‒<i>N</i>'-[(<i>E</i>)-4-methylbenzylidene]pyridine-4-carbohydrazide‒water (1/1/1)","Acta Crystallographica Section E","2012","68","5","o1492","","10.1107/S1600536812016868","","","0.71073","MoKα","","0.0489","0.0403","","","0.1013","0.1077","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234654","21.2454","0.0015","13.2363","0.0007","12.1954","0.0007","90","","90","","90","","3429.5","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Phenyl-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5,10-dione","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","1","HB6748","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1551","","10.1107/S1600536812018065","","","0.71073","MoKα","","0.0907","0.0441","","","0.0916","0.1132","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234659","7.7975","0.0011","13.638","0.002","24.854","0.004","90","","90","","90","","2643","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)","","- C13 H10 Cl2 Cu N2 O -","- C13 H10 Cl2 Cu N2 O -","- C104 H80 Cl16 Cu8 N16 O8 -","8","1","HG5195","Wang, Haixia; Lang, Yuehe; Wang, Shaohong","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)","Acta Crystallographica Section E","2012","68","5","m540","","10.1107/S1600536812013359","","","0.71073","MoKα","","0.0684","0.0381","","","0.0825","0.0975","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234710","9.5361","0.0019","15.941","0.003","24.853","0.005","90","","90","","90","","3778","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7- (trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","","- C20 H11 Cl2 F4 N3 -","- C20 H11 Cl2 F4 N3 -","- C160 H88 Cl16 F32 N24 -","8","1","KP2407","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Jiang, Ming-Jun; Xu, Li-Feng","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2012","68","5","o1515","","10.1107/S1600536812017345","","","0.71073","MoKα","","0.0717","0.0552","","","0.1399","0.1525","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234712","12.11","0.0009","15.5996","0.0012","16.0253","0.0012","90","","90","","90","","3027.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","[2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine","","- C16 H24 N2 -","- C16 H24 N2 -","- C128 H192 N16 -","8","1","LD2053","Wang, De-Cai; Pan, Hua-Yang; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai","[2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine","Acta Crystallographica Section E","2012","68","5","o1502","","10.1107/S1600536812015474","","","0.71073","MoKα","","0.1464","0.0598","","","0.1007","0.1222","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234827","7.46","0.001","12.35","0.001","31.176","0.002","90","","90","","90","","2872.3","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[1-({2-[1-(2-Hydroxy-5- {[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]- 4-{[methyl(phenyl)amino]methyl}phenol","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C136 H152 N16 O8 -","4","0.5","VM2172","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","2-[1-({2-[1-(2-Hydroxy-5-{[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]-4-{[methyl(phenyl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","5","o1562","","10.1107/S1600536812017904","","","0.71073","MoKα","","0.1051","0.063","","","0.1814","0.2161","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234844","8.5729","0.0013","17.555","0.003","20.427","0.003","90","","90","","90","","3074.2","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","XU5499","Li, Li-Nan; Zhang, Wei-Guo; Huang, Shan-Shan; Li, Chuan-Xun; Wang, Shou-Yu","(<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1277","","10.1107/S1600536812013712","","","0.71073","MoKα","","0.0812","0.0488","","","0.1307","0.1528","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234876","11.5698","0.0005","13.0393","0.0006","22.0393","0.001","90","","90","","90","","3324.9","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C136 H128 N32 O48 -","8","1","ZL2472","Ha, Kwang","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","Acta Crystallographica Section E","2012","68","5","o1399","","10.1107/S1600536812015504","","","0.71073","MoKα","","0.1135","0.0515","","","0.1074","0.1378","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234895","12.1993","0.0014","8.2012","0.0009","33.453","0.004","90","","90","","90","","3346.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C136 H200 N24 O16 -","8","1","AA2057","Wang, Zhe-Qin; Ma, Yi","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","Acta Crystallographica Section E","2012","68","6","o1941","","10.1107/S1600536812023525","","","0.71073","MoKα","","0.0853","0.0726","","","0.2166","0.2305","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234900","11.981","0.005","13.226","0.005","25.946","0.01","90","","90","","90","","4111","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrachloridocobaltate(II)","","- C12 H32 Cl4 Co N2 -","- C12 H32 Cl4 Co N2 -","- C96 H256 Cl32 Co8 N16 -","8","1","BG2461","Azadbakht, Reza; Hadadzadeh, Hassan; Amiri Rudbari, Hadi","Bis(triethylammonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","6","m859","","10.1107/S1600536812022441","","","0.71073","MoKα","","0.1367","0.0518","","","0.0904","0.1189","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234902","10.293","0.002","14.484","0.003","15.708","0.003","90","","90","","90","","2341.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxypyridinium <i>p</i>-toluenesulfonate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C96 H104 N8 O32 S8 -","8","1","BH2431","Jin, Yu","2-Hydroxypyridinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2012","68","6","o1669","","10.1107/S1600536812019873","","","0.71073","MoKα","","0.0557","0.0455","","","0.1054","0.111","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234912","8.138","0.0002","8.6259","0.0002","16.7854","0.0006","90","","90","","90","","1178.29","0.06","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminoethanaminium iodide","","- C2 H9 I N2 -","- C2 H9 I N2 -","- C16 H72 I8 N16 -","8","1","BR2201","Kennedy, Alan R.; Okoth, Maurice O.","2-Aminoethanaminium iodide","Acta Crystallographica Section E","2012","68","6","o1731","","10.1107/S160053681202065X","","","0.71073","MoKα","","0.0218","0.0161","","","0.0342","0.0353","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234984","10.9165","0.0005","7.815","0.0003","28.039","0.0014","90","","90","","90","","2392.08","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,2<i>E</i>)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","FF2068","Mendoza-Meroño, Rafael; García-Granda, Santiago","(1<i>E</i>,2<i>E</i>)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","Acta Crystallographica Section E","2012","68","6","o1840","","10.1107/S1600536812022386","","","1.5418","CuKα","","0.0592","0.0389","","","0.0975","0.11","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235029","10.8301","0.0002","7.463","0.0001","21.7213","0.0003","90","","90","","90","","1755.62","0.05","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(5-Bromo-1-benzofuran-2-yl)ethanone","","- C10 H7 Br O2 -","- C10 H7 Br O2 -","- C80 H56 Br8 O16 -","8","1","HB6772","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.","1-(5-Bromo-1-benzofuran-2-yl)ethanone","Acta Crystallographica Section E","2012","68","6","o1682","","10.1107/S160053681201985X","","","0.71073","MoKα","","0.0359","0.0236","","","0.0534","0.0577","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235032","13.2629","0.0005","7.9118","0.0003","24.9235","0.0008","90","","90","","90","","2615.31","0.16","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C120 H104 F8 N16 O8 -","8","1","HB6775","Hu, Hua-Nan; Liu, Shi-Yong","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1643","","10.1107/S1600536812019484","","","0.71073","MoKα","","0.0509","0.041","","","0.1134","0.1231","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235042","14.3951","0.0003","8.7449","0.0002","21.1047","0.0004","90","","90","","90","","2656.74","0.1","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","HB6791","Rassem, Hesham Hussein; Salhin, Abdussalam; Bin Salleh, Baharuddin; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1832","","10.1107/S1600536812021952","","","0.71073","MoKα","","0.0596","0.0436","","","0.1044","0.1144","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235047","15.514","0.003","15.021","0.003","16.155","0.003","90","","90","","90","","3764.7","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyltriethylammonium tetrachloridoferrate(III)","","- C13 H22 Cl4 Fe N -","- C13 H22 Cl4 Fe N -","- C104 H176 Cl32 Fe8 N8 -","8","1","HB6797","Jin, Lei","Benzyltriethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","6","m805","","10.1107/S1600536812023008","","","0.71073","MoKα","","0.1091","0.0682","","","0.1511","0.1704","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235066","15.6869","0.0004","11.0215","0.0002","23.0217","0.0016","90","","90","","90","","3980.3","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl- 2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C184 H200 Br8 O32 -","8","1","HG5218","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Fanwick, Phillip E.; Potgeiter, Herman","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1710","","10.1107/S1600536812021034","","","1.54178","CuKα","","0.0551","0.0415","","","0.0984","0.1073","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235112","19.657","0.004","7.586","0.0015","22.436","0.005","90","","90","","90","","3345.6","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C144 H136 Cl8 O32 -","8","1","JJ2129","Zou, Baohua; Fang, Zheng; Zhong, Hui; Guo, Kai; Wei, Ping","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1676","","10.1107/S1600536812019812","","","0.71073","MoKα","","0.1794","0.0672","","","0.1407","0.1942","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235157","8.59","0.003","12.885","0.005","17.237","0.007","90","","90","","90","","1907.8","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminocyclohexan-1-aminium thiocyanate","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C56 H120 N24 S8 -","8","1","LR2062","Salem, Halima F.; Hasbullah, Siti Aishah; Yamin, Bohari M.","2-Aminocyclohexan-1-aminium thiocyanate","Acta Crystallographica Section E","2012","68","6","o1732","","10.1107/S1600536812020879","","","0.71073","MoKα","","0.0535","0.0451","","","0.1072","0.1116","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235181","13.5388","0.0003","7.266","0.0001","24.1083","0.0004","90","","90","","90","","2371.6","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","NK2160","Mirošová, Pavla; Nečas, Marek; Vícha, Robert","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","Acta Crystallographica Section E","2012","68","6","o1827","","10.1107/S1600536812022283","","","0.71073","MoKα","","0.0321","0.0266","","","0.0689","0.0738","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235278","12.7034","0.0004","11.3939","0.0004","15.8258","0.0005","90","","90","","90","","2290.65","0.13","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[aqualithium(I)]-μ-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5λ^4^- borataspiro[4.4]nonane-2,7-dione]","","- C8 H14 B Li O7 -","- C8 H14 B Li O7 -","- C64 H112 B8 Li8 O56 -","8","1","VN2036","Allen, Joshua L.; Paillard, Elie; Boyle, Paul D.; Henderson, Wesley A.","Lithium bis(2-methyllactato)borate monohydrate","Acta Crystallographica Section E","2012","68","6","m749","","10.1107/S1600536812017540","","","0.71073","MoKα","","0.0521","0.0357","","","0.0903","0.098","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235333","13.8912","0.0008","12.4572","0.0004","17.8617","0.0011","90","","90","","90","","3090.9","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3- dihydroquinolin-4(1<i>H</i>)-one","","- C19 H15 Cl N2 O -","- C19 H15 Cl N2 O -","- C152 H120 Cl8 N16 O8 -","8","1","ZS2200","Bouraiou, Abdelmalek; Bouacida, Sofiane; Bertrand, Carboni; Roisnel, Thierry; Belfaitah, Ali","<i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1701","o1702","10.1107/S1600536812020831","","","0.71073","MoKα","","0.1516","0.0619","","","0.1293","0.1688","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235334","16.0949","0.0004","7.7012","0.0002","22.6874","0.0004","90","","90","","90","","2812.1","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9-(4-bromobutyl)-9<i>H</i>-carbazole","9-(4-Bromobutyl)-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","ZS2201","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","9-(4-Bromobutyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","6","o1853","","10.1107/S1600536812022398","","","0.71073","MoKα","","0.0732","0.049","","","0.1283","0.1461","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235335","15.3583","0.0005","11.3833","0.0004","22.207","0.0007","90","","90","","90","","3882.4","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9- tetrahydro-1<i>H</i>-xanthen-1-one","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","ZS2203","Kurbanova, Malahat M.; Gurbanov, Atash V.; Mahmudov, Kamran T.; Maharramov, Abel M.; Ng, Seik Weng","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1606","","10.1107/S1600536812018934","","","0.71073","MoKα","","0.0823","0.0621","","","0.1731","0.1954","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235344","17.1756","0.0006","11.1724","0.0004","22.6546","0.0008","90","","90","","90","","4347.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","24-Acetyl-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-28-one","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C200 H224 N16 O40 -","8","1","AA2068","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","24-Acetyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-28-one","Acta Crystallographica Section E","2012","68","7","o2165","o2166","10.1107/S1600536812027274","","","0.71073","MoKα","","0.0647","0.0415","","","0.0978","0.1059","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235351","22.323","0.006","10.937","0.003","34.13","0.009","90","","90","","90","","8333","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)- κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato- κ<i>O</i>^1^)manganese(II)","","- C42 H30 Mn N10 O15 -","- C42 H30 Mn N10 O15 -","- C336 H240 Mn8 N80 O120 -","8","1","BH2434","Li, Congfen; Kou, Fan; Li, Xinghan; Wu, Hao; Wu, Huilu","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)-κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato-κ<i>O</i>^1^)manganese(II)","Acta Crystallographica Section E","2012","68","7","m923","","10.1107/S1600536812026037","","","0.71073","MoKα","","0.1177","0.0583","","","0.1131","0.1358","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235356","7.743","0.002","7.199","0.002","31.913","0.01","90","","90","","90","","1778.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-chloroanilinium thiocyanate","4-Chloroanilinium thiocyanate","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C56 H56 Cl8 N16 S8 -","8","1","BQ2362","Yusoff, Siti Fairus M.; Halima, F. Salem; Yamin, Bohari M.","4-Chloroanilinium thiocyanate","Acta Crystallographica Section E","2012","68","7","o1988","","10.1107/S160053681202377X","","","0.71073","MoKα","","0.0446","0.0393","","","0.1049","0.1084","","","","","","1.18","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235402","8.1254","0.0002","11.0602","0.0002","32.4813","0.001","90","","90","","90","","2919.05","0.13","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5- diyl]dimethanol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","EZ2294","Guner, Selahaddin; Şeftalicioglu, Kubra","[(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5-diyl]dimethanol","Acta Crystallographica Section E","2012","68","7","o2061","","10.1107/S1600536812025032","","","0.71073","MoKα","","0.0885","0.0558","","","0.0985","0.108","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235422","14.6418","0.0003","7.8407","0.0001","20.0645","0.0004","90","","90","","90","","2303.44","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromopyridine-2-carbaldehyde phenylhydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C96 H80 Br8 N24 -","8","1","GG2083","Moreno-Fuquen, Rodolfo; Chaur, Manuel N.; Romero, Elkin L.; Zuluaga, Fabio; Ellena, Javier","6-Bromopyridine-2-carbaldehyde phenylhydrazone","Acta Crystallographica Section E","2012","68","7","o2131","","10.1107/S1600536812026517","","","0.71073","MoKα","","0.0486","0.0386","","","0.1023","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235459","13.796","0.002","8.412","0.002","24.004","0.003","90","","90","","90","","2785.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","HB6829","Shen, Tong; Li, Guoli; Zheng, Bin","<i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2034","","10.1107/S1600536812025688","","","0.71073","MoKα","","0.1545","0.0676","","","0.1257","0.1586","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235460","15.4597","0.0016","12.7864","0.0012","20.312","0.002","90","","90","","90","","4015.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C144 H208 N16 O64 -","16","2","HB6830","Zong, Qian-Shou; Wu, Jian-Yi","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","Acta Crystallographica Section E","2012","68","7","o2036","","10.1107/S1600536812025263","","","0.7107","MoKα","","0.1018","0.0837","","","0.1672","0.1751","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235475","12.275","0.003","7.4343","0.0011","19.328","0.003","90","","90","","90","","1763.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2-Fluoropyridin-5-yl)phenol","","- C11 H8 F N O -","- C11 H8 F N O -","- C88 H64 F8 N8 O8 -","8","1","HB6846","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz","4-(2-Fluoropyridin-5-yl)phenol","Acta Crystallographica Section E","2012","68","7","o2124","","10.1107/S1600536812026499","","","0.71073","MoKα","","0.1282","0.0512","","","0.0962","0.123","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235483","10.7908","0.0007","10.4672","0.0005","25.8714","0.0017","90","","90","","90","","2922.2","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Formyl-6-methoxyphenyl cinnamate","","- C17 H14 O4 -","- C17 H14 O4 -","- C136 H112 O32 -","8","1","HB6858","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","2-Formyl-6-methoxyphenyl cinnamate","Acta Crystallographica Section E","2012","68","7","o2167","","10.1107/S160053681202747X","","","0.71073","MoKα","","0.0592","0.0368","","","0.0922","0.106","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235485","11.473","0.019","7.507","0.013","30.5","0.05","90","","90","","90","","2627","8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","HB6861","Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide from synchrotron radiation","Acta Crystallographica Section E","2012","68","7","o2255","o2256","10.1107/S1600536812028504","","","0.6943","synchrotron","","0.0679","0.0486","","","0.1262","0.1402","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235488","11.2417","0.0005","7.8381","0.0008","25.3933","0.0018","90","","90","","90","","2237.5","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(benzyloxy)-1H-benzotriazole","1-Benzyloxy-1<i>H</i>-benzotriazole","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","HB6865","Jebas, Samuel Robinson; Selvarathy Grace, P.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyloxy-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2012","68","7","o2239","","10.1107/S1600536812028395","","","1.54178","CuKα","","0.0607","0.0542","","","0.1567","0.1629","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235498","17.6689","0.0012","15.076","0.0007","17.9479","0.001","90","","90","","90","","4780.9","0.5","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine- 1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato- 1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato- 1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate","","- C28 H40 N14 Ni3 O6 S6 -","- C28 H40 N14 Ni3 O6 S6 -","- C112 H160 N56 Ni12 O24 S24 -","4","0.5","HP2040","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine-1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato-1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato-1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate","Acta Crystallographica Section E","2012","68","7","m940","m941","10.1107/S1600536812026864","","","0.71073","MoKα","","0.058","0.0408","","","0.0978","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235501","8.2957","0.001","22.104","0.003","22.11","0.003","90","","90","","90","","4054.3","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)- κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]","","- C19 H12 Br Cl2 La N2 O3 -","- C19 H12 Br Cl2 La N2 O3 -","- C152 H96 Br8 Cl16 La8 N16 O24 -","8","1","HY2550","Zhu, Wen-Qing; Wang, Jin-Ping; Yuan, Yu-Kun; Li, Zhuo","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m896","","10.1107/S1600536812025500","","","0.71073","MoKα","","0.0526","0.0344","","","0.0945","0.1247","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235502","7.6411","0.0015","9.3603","0.0019","19.589","0.004","90","","90","","90","","1401.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C32 H48 O48 Zn8 -","8","1","HY2552","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","7","m868","","10.1107/S1600536812024361","","","0.71073","MoKα","","0.0582","0.0427","","","0.1215","0.1327","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235525","14.2959","0.0012","7.8817","0.0008","14.428","0.0013","90","","90","","90","","1625.7","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyanopyridinium hydrogen sulfate","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C48 H48 N16 O32 S8 -","8","1","JJ2139","Wang, Ying-Chun","4-Cyanopyridinium hydrogen sulfate","Acta Crystallographica Section E","2012","68","7","o2176","","10.1107/S1600536812027304","","","0.71073","MoKα","","0.036","0.0344","","","0.0904","0.0915","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235641","11.8864","0.0004","13.6276","0.0005","31.0273","0.001","90","","90","","90","","5025.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-3,6-dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>- pyrano[2,3-<i>c</i>]pyrazol-4-one","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C224 H176 Cl16 N32 O32 -","16","2","SU2466","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Chloro-3,6-dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazol-4-one","Acta Crystallographica Section E","2012","68","7","o2257","","10.1107/S1600536812028528","","","0.71073","MoKα","","0.0606","0.0444","","","0.1064","0.1173","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235642","7.9698","0.0003","17.5466","0.0008","20.135","0.0008","90","","90","","90","","2815.7","0.2","120.1","0.1","120.1","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(Adamantan-2-ylidene)benzohydrazide","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C136 H160 N16 O8 -","8","1","SU2467","Almutairi, Maha S.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","<i>N</i>'-(Adamantan-2-ylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2247","o2248","10.1107/S1600536812028644","","","1.54184","CuKα","","0.0792","0.0505","","","0.1207","0.1388","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235644","12.3035","0.0007","11.656","0.0007","20.7112","0.001","90","","90","","90","","2970.2","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N'</i>)nickel(II) sulfate","","- C10 H16 N2 Ni O8 S -","- C10 H16 N2 Ni O8 S -","- C80 H128 N16 Ni8 O64 S8 -","8","1","TK5105","Boonlue, Sujirat; Theppitak, Chatphorn; Chainok, Kittipong","Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate","Acta Crystallographica Section E","2012","68","7","m908","","10.1107/S160053681202538X","","","0.71073","MoKα","","0.0499","0.0389","","","0.0857","0.0917","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235649","9.0486","0.0003","9.4105","0.0003","33.4876","0.001","90","","90","","90","","2851.53","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H12 Cl N O S -","- C16 H12 Cl N O S -","- C128 H96 Cl8 N8 O8 S8 -","8","1","TK5111","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","(<i>Z</i>)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2130","","10.1107/S1600536812026608","","","0.71073","MoKα","","0.0648","0.0469","","","0.1089","0.1179","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235654","18.288","0.002","8.713","0.003","19.018","0.002","90","","90","","90","","3030.4","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","","- C15 H12 Br Cl N2 O4 -","- C15 H12 Br Cl N2 O4 -","- C120 H96 Br8 Cl8 N16 O32 -","8","1","VM2167","Zhu, Hui; Jiang, Hui-Hui; Zhu, Hai-Liang","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","Acta Crystallographica Section E","2012","68","7","o2023","","10.1107/S1600536812023859","","","0.71073","MoKα","","0.1104","0.0503","","","0.1322","0.1486","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235705","10.312","0.002","14.997","0.003","15.666","0.003","90","","90","","90","","2422.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a- octahydropyrrolo[1,2-<i>a</i>]pyrimidin-6-one","","- C10 H14 Cl2 N2 O2 -","- C10 H14 Cl2 N2 O2 -","- C80 H112 Cl16 N16 O16 -","8","1","YK2055","Gao, Shuang; Zhao, Li-xia; Ye, Fei; Fu, Ying; Xing, Zhi-yong","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-<i>a</i>]pyrimidin-6-one","Acta Crystallographica Section E","2012","68","7","o1982","","10.1107/S1600536812024063","","","0.71073","MoKα","","0.0572","0.0522","","","0.1505","0.1558","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235709","15.139","0.005","11.428","0.005","16.76","0.005","90","","90","","90","","2899.6","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","L3","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","","- C36 H32 N6 O2 -","- C36 H32 N6 O2 -","- C144 H128 N24 O8 -","4","0.5","YK2063","Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","Acta Crystallographica Section E","2012","68","7","o2272","o2273","10.1107/S1600536812029017","","","0.71073","MoKα","","0.0572","0.038","","","0.0951","0.0995","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235718","11.061","0.0005","7.584","0.0004","22.642","0.0011","90","","90","","90","","1899.36","0.16","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-4-[(1<i>E</i>)-2-nitroprop-1-en-1-yl]benzene","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","1","ZQ2167","Li, Zhao-Bo; Shen, Li-Li; Zheng, Jian-An","1-Methyl-4-[(1<i>E</i>)-2-nitroprop-1-en-1-yl]benzene","Acta Crystallographica Section E","2012","68","7","o2065","","10.1107/S1600536812025913","","","0.71073","MoKα","","0.0722","0.0445","","","0.1141","0.1344","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235729","15.06","0.002","6.6997","0.0011","16.649","0.003","90","","90","","90","","1679.8","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methoxy-1,3-benzothiazol-2-amine","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C64 H64 N16 O8 S8 -","8","1","ZS2217","Saeed, Aamer; Rafique, Hummera; Flörke, Ulrich","6-Methoxy-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","7","o2240","","10.1107/S1600536812028152","","","0.71073","MoKα","","0.0387","0.0333","","","0.0901","0.0939","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235748","16.4102","0.0006","16.4371","0.0006","20.0648","0.0007","90","","90","","90","","5412.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-<i>b</i>]quinoxaline- 11,3'-pyrrolizin]-2'-yl}(<i>p</i>-tolyl)methanone","","- C35 H29 N3 O -","- C35 H29 N3 O -","- C280 H232 N24 O8 -","8","1","BT5959","Srinivasan, T.; Suhitha, S.; Purushothaman, S.; Raghunathan, R.; Velmurugan, D.","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolizin]-2'-yl}(<i>p</i>-tolyl)methanone","Acta Crystallographica Section E","2012","68","8","o2469","","10.1107/S1600536812031480","","","0.71073","MoKα","","0.101","0.0488","","","0.115","0.1438","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235829","11.5768","0.0006","7.3222","0.0005","29.2849","0.0015","90","","90","","90","","2482.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","HB6857","Tahir, M. Nawaz; Sirajuddin, Muhammad; Ali, Saqib; Munawar, Khurram Shahzad","2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","8","o2589","","10.1107/S1600536812027262","","","0.71073","MoKα","","0.0577","0.0411","","","0.0996","0.1118","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235849","6.7094","0.0002","9.4134","0.0003","49.162","0.0016","90","","90","","90","","3104.99","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","HB6897","Alliouche, Hayette; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","Acta Crystallographica Section E","2012","68","8","o2492","","10.1107/S1600536812032357","","","0.71073","MoKα","","0.0606","0.0457","","","0.1044","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235874","13.3348","0.0002","14.2045","0.0002","15.9132","0.0003","90","","90","","90","","3014.19","0.08","100","1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4- dimethylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","","- C15 H9 Cl2 F3 N2 O2 -","- C15 H9 Cl2 F3 N2 O2 -","- C120 H72 Cl16 F24 N16 O16 -","8","1","IS5160","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4-dimethylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2350","","10.1107/S1600536812029789","","","0.71073","MoKα","","0.0452","0.0364","","","0.0891","0.0957","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235875","11.0365","0.0003","13.4763","0.0003","20.0092","0.0006","90","","90","","90","","2975.99","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C112 H144 N16 O24 S8 -","8","1","IS5161","Al-Said, Mansour S.; Ghorab, Mostafa M.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2370","","10.1107/S1600536812029996","","","1.54178","CuKα","","0.0499","0.0438","","","0.1206","0.125","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235884","8.1253","0.0002","8.6138","0.0002","18.9368","0.0004","90","","90","","90","","1325.38","0.05","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Diazaoctane-1,8-diaminium diiodide","","- C6 H20 I2 N4 -","- C6 H20 I2 N4 -","- C24 H80 I8 N16 -","4","0.5","JJ2132","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","3,6-Diazaoctane-1,8-diaminium diiodide","Acta Crystallographica Section E","2012","68","8","o2387","","10.1107/S1600536812030127","","","0.7107","MoKα","","0.0337","0.0226","","","0.0521","0.0533","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235901","15.4948","0.0003","16.1272","0.0003","22.443","0.0004","90","","90","","90","","5608.23","0.18","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxymethyl-10-methoxy-17,22- dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta- 1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","","- C33 H32 O7 -","- C33 H32 O7 -","- C264 H256 O56 -","8","1","LD2069","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","4-Hydroxymethyl-10-methoxy-17,22-dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta-1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","8","o2598","o2599","10.1107/S1600536812033521","","","1.54187","CuKα","","0.0381","0.0365","","","0.0967","0.098","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235968","18.008","0.0003","12.4307","0.0002","25.3332","0.0004","90","","90","","90","","5670.89","0.16","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","","- C38 H24 O6 -","- C38 H24 O6 -","- C304 H192 O48 -","8","1","RZ2784","Sakamoto, Rei; Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","Acta Crystallographica Section E","2012","68","8","o2454","","10.1107/S1600536812030991","","","1.54187","CuKα","","0.0356","0.0324","","","0.082","0.0842","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235974","8.5603","0.0012","11.0699","0.0015","37.346","0.005","90","","90","","90","","3539","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine- κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","","- C13 H16 Mn N6 S3 -","- C13 H16 Mn N6 S3 -","- C104 H128 Mn8 N48 S24 -","8","1","RZ2792","Wang, Jun; Zhu, Wubiao; Li, Jichang","<i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","8","m1131","","10.1107/S1600536812032874","","","0.71073","MoKα","","0.0771","0.043","","","0.0853","0.098","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236067","7.4598","0.0003","19.3131","0.0008","24.4002","0.0009","90","","90","","90","","3515.4","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-(Benzo[<i>d</i>]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","","- C21 H14 Cl N O2 S -","- C21 H14 Cl N O2 S -","- C168 H112 Cl8 N8 O16 S8 -","8","1","BG2479","Venugopala, K. N.; Nayak, Susanta K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(2-(Benzo[<i>d</i>]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","11","o3125","","10.1107/S1600536812041888","","","0.71073","MoKα","","0.076","0.0588","","","0.194","0.1997","","","","","","1.295","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236085","11.5421","0.0002","17.3191","0.0003","26.6667","0.0005","90","","90","","90","","5330.64","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylphenyl quinoline-2-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C272 H208 N16 O32 -","16","2","BQ2377","Fazal, E.; Jasinski, Jerry P.; Krauss, Shannon T.; Sudha, B. S.; Yathirajan, H. S.","4-Methylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","11","o3231","o3232","10.1107/S1600536812044030","","","1.54184","CuKα","","0.0561","0.0442","","","0.1141","0.1239","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236091","15.7324","0.0006","10.7988","0.0005","20.4877","0.0011","90","","90","","90","","3480.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[2-(3,4-Dimethoxybenzoyl)benzoyl]thiophene","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C160 H128 O32 S8 -","8","1","BT5963","Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","Acta Crystallographica Section E","2012","68","10","o2844","","10.1107/S1600536812037336","","","0.71073","MoKα","","0.0689","0.0397","","","0.0927","0.1074","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236098","11.3835","0.0009","16.984","0.0013","18.4766","0.0014","90","","90","","90","","3572.2","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3- dicarbonitrile","","- C20 H18 Cl N3 -","- C20 H18 Cl N3 -","- C160 H144 Cl8 N24 -","8","1","BT5985","Rajni Swamy, V.; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R.V.","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2692","","10.1107/S1600536812034861","","","0.71073","MoKα","","0.0554","0.0445","","","0.1264","0.1365","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236103","10.9155","0.0002","9.4056","0.0002","25.0422","0.0005","90","","90","","90","","2571","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(<i>E</i>)-(4-Ethoxyphenyl)iminomethyl]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","BT5991","Khalaji, Aliakbar Dehno; Fejfarová, Karla; Dušek, Michal","4-[(<i>E</i>)-(4-Ethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2646","","10.1107/S1600536812034253","","","1.5418","CuKα","","0.0339","0.0306","","","0.0998","0.1033","","","","","","1.71","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236110","13.0069","0.0011","10.0775","0.0009","22.408","0.002","90","","90","","90","","2937.2","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C112 H104 Cl16 N8 O16 S8 -","8","1","BT6820","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2748","","10.1107/S1600536812035787","","","0.71073","MoKα","","0.058","0.0357","","","0.0806","0.0901","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236113","16.8415","0.0009","14.1497","0.0007","18.6919","0.0008","90","","90","","90","","4454.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","","- C25 H23 Cl2 P Ru -","- C25 H23 Cl2 P Ru -","- C200 H184 Cl16 P8 Ru8 -","8","1","BT6823","Muller, Alfred; Davis, Wade L.","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","Acta Crystallographica Section E","2012","68","10","m1232","m1233","10.1107/S1600536812037154","","","0.71073","MoKα","","0.0586","0.0316","","","0.0601","0.0685","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236124","17.2328","0.0012","8.1885","0.0006","23.7049","0.0017","90","","90","","90","","3345","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 I O4 S -","- C16 H15 I O4 S -","- C128 H120 I8 O32 S8 -","8","1","BT6834","Viswanathan, Vijayan; Srinivasan, Thothadri; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan","(<i>E</i>)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2921","","10.1107/S1600536812038226","","","0.71073","MoKα","","0.0369","0.0252","","","0.0576","0.0622","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236149","16.3842","0.0004","13.1678","0.0003","21.2743","0.0004","90","","90","","90","","4589.8","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI)","","- C19 H18 N6 O8 U -","- C19 H18 N6 O8 U -","- C152 H144 N48 O64 U8 -","8","1","CV5297","Mishkevich, Vitalii I.; Grigoriev, Mikhail S.; Fedosseev, Alexandre M.; Moisy, Philippe","Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI)","Acta Crystallographica Section E","2012","68","10","m1243","","10.1107/S1600536812035465","","","0.71073","MoKα","","0.0907","0.0354","","","0.061","0.0749","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236184","9.8514","0.001","8.9757","0.0007","21.917","0.003","90","","90","","90","","1938","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FF2083","Lin, Hong-Yi; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate","Acta Crystallographica Section E","2012","68","11","o3075","o3076","10.1107/S1600536812041293","","","0.71073","MoKα","","0.1386","0.0873","","","0.2122","0.2314","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236205","16.8172","0.0007","15.7033","0.0007","19.908","0.001","90","","90","","90","","5257.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C256 H296 N8 O24 -","8","1","FY2066","Sughanya, V.; Sureshbabu, N.","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","9","o2755","","10.1107/S1600536812036094","","","0.71073","MoKα","","0.0732","0.0442","","","0.1085","0.1275","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236248","12.1721","0.0005","7.7697","0.0003","27.22","0.0008","90","","90","","90","","2574.29","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-Benzylidenebenzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol- 3(2<i>H</i>)-one","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C128 H80 N16 O8 S8 -","8","1","HB6910","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(<i>Z</i>)-2-Benzylidenebenzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2705","","10.1107/S1600536812035003","","","1.54178","CuKα","","0.0529","0.0456","","","0.1205","0.1269","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236261","18.663","0.0016","17.1713","0.0015","22.5648","0.0019","90","","90","","90","","7231.3","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Diphenyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","","- C20 H14 Cl3 N O -","- C20 H14 Cl3 N O -","- C320 H224 Cl48 N16 O16 -","16","2","HB6924","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2,2-Diphenyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","Acta Crystallographica Section E","2012","68","9","o2659","o2660","10.1107/S160053681203440X","","","0.71073","MoKα","","0.0808","0.0467","","","0.0992","0.1136","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236283","11.517","0.0014","13.9586","0.0015","26.413","0.003","90","","90","","90","","4246.2","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate","","- C22 H24 O10 -","- C22 H24 O10 -","- C176 H192 O80 -","8","1","HB6952","Lough, Alan J.; Jack, Kelsey; Tam, William","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate","Acta Crystallographica Section E","2012","68","10","o2961","","10.1107/S1600536812039219","","","0.71073","MoKα","","0.0799","0.0415","","","0.0854","0.0957","","","","","","0.895","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236323","12.1599","0.0007","9.6153","0.0004","16.2345","0.0008","90","","90","","90","","1898.16","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1<i>H</i>-Indol-3-yl)acetohydrazide","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C80 H88 N24 O8 -","8","1","HG5253","Sidra, Lala Rukh; Khan, Islam Ullah; Yar, Muhammad; Simpson, Jim","2-(1<i>H</i>-Indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","11","o3140","o3141","10.1107/S1600536812041694","","","0.71073","MoKα","","0.0999","0.0457","","","0.1013","0.1219","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236345","12.702","0.008","7.178","0.004","25.368","0.015","90","","90","","90","","2313","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","HY2581","Tian, Yu-Guang","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","Acta Crystallographica Section E","2012","68","10","m1276","","10.1107/S1600536812038901","","","0.71073","MoKα","","0.066","0.0364","","","0.0719","0.0856","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236378","13.0973","0.0006","8.6104","0.0004","24.5948","0.0012","90","","90","","90","","2773.6","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C136 H120 F8 N16 O8 -","8","1","IS5177","Fun, Hoong-Kun; Ooi, Chin Wei; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2634","","10.1107/S1600536812033971","","","0.71073","MoKα","","0.0478","0.0392","","","0.1048","0.1125","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236423","9.9493","0.0005","14.7107","0.0008","26.6871","0.0017","90","","90","","90","","3906","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl] benzenesulfonamide","","- C20 H17 F2 N O4 S2 -","- C20 H17 F2 N O4 S2 -","- C160 H136 F16 N8 O32 S16 -","8","1","LD2072","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","<i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl]benzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2973","","10.1107/S1600536812039402","","","0.71073","MoKα","","0.0813","0.0484","","","0.1152","0.1334","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236496","19.0732","0.0018","11.6191","0.0011","19.693","0.003","90","","90","","90","","4364.2","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-\ bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-\ diylbis(nitrilomethanylylidene)]diphenolato}-\ 1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>'; 2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)","","- C42 H42 Cl4 Cu3 N4 O8 -","- C42 H42 Cl4 Cu3 N4 O8 -","- C168 H168 Cl16 Cu12 N16 O32 -","4","0.5","MW2092","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko","Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)","Acta Crystallographica Section E","2012","68","11","m1430","m1431","10.1107/S1600536812044315","","","0.71069","MoKα","","","0.035","","","","0.1048","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236507","15.62","0.003","14.598","0.003","18.616","0.004","90","","90","","90","","4244.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^]","","- C23 H20 Cu N4 O6 -","- C23 H20 Cu N4 O6 -","- C184 H160 Cu8 N32 O48 -","8","1","NG5281","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section E","2012","68","9","m1140","","10.1107/S160053681203111X","","","0.71073","MoKα","","0.0859","0.0467","","","0.0962","0.1087","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236524","17.9308","0.0005","7.1881","0.0002","19.8333","0.0006","90","","90","","90","","2556.28","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O4 S -","- C11 H17 N O4 S -","- C88 H136 N8 O32 S8 -","8","1","NK2181","Mushtaq, Nafeesa; Khan, Islam Ullah; Yar, Muhammad; Afzal, Sadia; Simpson, Jim","<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3142","","10.1107/S1600536812041682","","","0.71073","MoKα","","0.0677","0.0502","","","0.1443","0.1611","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236547","11.5164","0.0008","10.1427","0.0005","19.9054","0.0011","90","","90","","90","","2325.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide","","- C8 H5 Cl3 N2 O3 -","- C8 H5 Cl3 N2 O3 -","- C64 H40 Cl24 N16 O24 -","8","1","PV2576","Prabhu, A. N.; Upadhyaya, V.; Girisha, K. S.; Naveena, C. S.; Guru Row, T. N.","2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2012","68","10","o2832","","10.1107/S1600536812036732","","","0.71073","MoKα","","0.0754","0.0491","","","0.1321","0.1443","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236586","7.9389","0.0002","13.146","0.0004","22.7952","0.0007","90","","90","","90","","2379.02","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7<i>H</i>-[1,2]Benzothiazolo[3,2-<i>b</i>]quinazoline 5,5-dioxide","","- C14 H10 N2 O2 S -","- C14 H10 N2 O2 S -","- C112 H80 N16 O16 S8 -","8","1","RK2382","Narayanan, Ponmudisettu; Karthikeyan, Subramani; Srinivasan, Panayancheri Coleppa; Sethusankar, Krishnan","7<i>H</i>-[1,2]Benzothiazolo[3,2-<i>b</i>]quinazoline 5,5-dioxide","Acta Crystallographica Section E","2012","68","11","o3082","","10.1107/S1600536812040871","","","0.71073","MoKα","","0.0408","0.0336","","","0.1111","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236654","6.945","0.001","5.542","0.001","17.238","0.003","90","","90","","90","","663.48","0.19","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromobutane-2,3-dione","","- C4 H4 Br2 O2 -","- C4 H4 Br2 O2 -","- C16 H16 Br8 O8 -","4","0.5","SU2517","Zai, De-Xin","1,4-Dibromobutane-2,3-dione","Acta Crystallographica Section E","2012","68","11","o3245","","10.1107/S1600536812044200","","","0.71073","MoKα","","0.1332","0.0648","","","0.0869","0.1076","","","","","","0.927","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236677","16.5055","0.0004","8.8068","0.0002","16.669","0.0004","90","","90","","90","","2423.02","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione monohydrate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","TK5162","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2012","68","11","o3199","o3200","10.1107/S1600536812043280","","","0.71073","MoKα","","0.0685","0.0442","","","0.1147","0.1274","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236689","11.482","0.007","17.648","0.01","20.771","0.012","90","","90","","90","","4209","4","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Acetyldicarbonyl(η^5^- cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","","- C22 H21 Mo O3 P -","- C22 H21 Mo O3 P -","- C176 H168 Mo8 O24 P8 -","8","1","WM2666","Whited, Matthew T.; Boerma, Joseph W.; McClellan, Michael J.; Padilla, Christian E.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2012","68","9","m1158","m1159","10.1107/S1600536812034307","","","0.71075","MoKα","","","0.0318","","","","0.0723","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236700","18.6794","0.0004","7.5317","0.0002","21.9757","0.0005","90","","90","","90","","3091.71","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate","","- C12 H18 Cu N4 O5 S -","- C12 H16 Cu N4 O5 S -","- C96 H128 Cu8 N32 O40 S8 -","8","1","WM2682","Djebli, Yacine; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Bencharif, Mustafa","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","11","m1411","m1412","10.1107/S1600536812041967","","","0.71073","MoKα","","0.047","0.0343","","","0.09","0.0966","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236713","8.323","0.005","10.002","0.005","30.068","0.005","90","","90","","90","","2503","2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenyl]-1<i>H</i>-benzimidazole","","- C15 H11 N5 -","- C15 H11 N5 -","- C120 H88 N40 -","8","1","XU5598","Cheng, Long-Huai; Zheng, Zheng; Han, Zhi-Li; Wu, Zhi-Chao; Zhou, Hong-Ping","2-[4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","10","o2890","","10.1107/S1600536812037816","","","0.71069","MoKα","","0.0743","0.049","","","0.1462","0.1711","","","","","","1.147","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236716","12.3996","0.0002","21.0115","0.0004","26.7059","0.0005","90","","90","","90","","6957.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]- μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]","","- C15 H13 Cu N7 O2 -","- C15 H13 Cu N7 O2 -","- C240 H208 Cu16 N112 O32 -","16","2","XU5601","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","<i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]","Acta Crystallographica Section E","2012","68","9","m1176","","10.1107/S1600536812035283","","","0.71073","MoKα","","0.0933","0.0497","","","0.1263","0.1664","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236720","7.3661","0.0004","9.5504","0.0005","12.8501","0.0007","90","","90","","90","","903.99","0.08","135","0.1","135","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pyrrolidine-2,5-dione","","- C4 H5 N O2 -","- C4 H5 N O2 -","- C32 H40 N8 O16 -","8","1","XU5605","Yu, Min; Huang, Xing; Gao, Feng","Pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","9","o2738","","10.1107/S1600536812035672","","","0.7107","MoKα","","0.0506","0.0392","","","0.0891","0.0969","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236764","8.254","0.0004","11.5489","0.0004","26.1962","0.0011","90","","90","","90","","2497.14","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C104 H96 F8 N24 O16 -","8","1","ZL2494","Nair, Yamuna; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","9","o2709","","10.1107/S1600536812035179","","","0.71073","MoKα","","0.0408","0.0319","","","0.0855","0.0962","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236770","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Methoxyindan-1-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","ZL2507","Chang, Yuan Jay; Chen, Kew-Yu","7-Methoxyindan-1-one","Acta Crystallographica Section E","2012","68","11","o3063","","10.1107/S1600536812040743","","","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236771","11.7408","0.0002","13.3554","0.0002","37.5523","0.0008","90","","90","","90","","5888.32","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C240 H360 N24 O48 -","24","3","ZL2508","Molokoane, Pule P.; Schutte, M.; Steyl, G.","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","Acta Crystallographica Section E","2012","68","11","o3235","o3236","10.1107/S1600536812044091","","","0.71073","MoKα","","0.0548","0.0414","","","","0.1111","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236784","6.8604","0.0002","9.4534","0.0003","16.4789","0.0006","90","","90","","90","","1068.72","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","0.5","ZS2214","Wang, Qian; Zhao, Xiao-Li","4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","9","o2618","","10.1107/S1600536812032485","","","0.71073","MoKα","","0.0425","0.0317","","","0.0877","0.0958","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236827","7.6404","0.0003","15.1703","0.0007","15.9168","0.0007","90","","90","","90","","1844.87","0.14","120","0.14","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","BT6866","Rivera, Augusto; Jiménez-Cruz, Leonardo; Maldonado, Mauricio; Kučeráková, Monika; Dušek, Michal","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","Acta Crystallographica Section E","2012","68","12","o3429","","10.1107/S1600536812047538","","","1.5418","CuKα","","0.0477","0.0393","","","0.0991","0.1043","","","","","","1.55","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236845","11.4447","0.0011","7.1447","0.0007","12.803","0.0012","90","","90","","90","","1046.89","0.17","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,5-diaminopyridine","Pyridine-2,5-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","CV5359","Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Pyridine-2,5-diamine","Acta Crystallographica Section E","2012","68","12","o3353","","10.1107/S1600536812046260","","","0.71073","MoKα","","0.0582","0.0415","","","0.0994","0.1094","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236851","8.447","0.005","18.454","0.014","21.735","0.015","90","","90","","90","","3388","4","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2a<i>R</i>*,5<i>S</i>*,6a<i>S</i>*,8a<i>S</i>*,<i>E</i>)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1<i>H</i>- pentaleno[1,6-<i>bc</i>]oxepine-4-carboxylate","","- C17 H24 O5 -","- C17 H24 O5 -","- C136 H192 O40 -","8","1","DS2220","Mehta, Goverdhan; Kumar, C. S. Ananda; Sen, Saikat","(2a<i>R</i>*,5<i>S</i>*,6a<i>S</i>*,8a<i>S</i>*,<i>E</i>)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1<i>H</i>-pentaleno[1,6-<i>bc</i>]oxepine-4-carboxylate","Acta Crystallographica Section E","2012","68","12","o3392","o3393","10.1107/S1600536812046776","","","0.71073","MoKα","","0.1432","0.0532","","","0.1218","0.1485","","","","","","0.885","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236961","6.894","0.0006","13.2079","0.0011","20.0964","0.0016","90","","90","","90","","1829.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","LH5559","Koh, Dongsoo","8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2012","68","12","o3419","","10.1107/S1600536812047319","","","0.71073","MoKα","","0.0994","0.051","","","0.1208","0.1578","","","","","","0.922","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236989","14.1479","0.0017","8.6567","0.0011","22.57","0.003","90","","90","","90","","2764.2","0.6","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","PV2594","Taha, Muhammad; Baharudin, M. Syukri.; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","<i>N</i>'-[(<i>E</i>)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3256","","10.1107/S1600536812042390","","","0.71073","MoKα","","0.0761","0.0424","","","0.0973","0.1147","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236998","9.6545","0.0011","20.363","0.002","31.804","0.003","90","","90","","90","","6252.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]- 11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa- 1(20),13,15,17(21),18-pentaene-9-carboxylate","","- C37 H34 N2 O7 -","- C37 H34 N2 O7 -","- C296 H272 N16 O56 -","8","1","PV2604","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]-11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa-1(20),13,15,17(21),18-pentaene-9-carboxylate","Acta Crystallographica Section E","2012","68","12","o3329","o3330","10.1107/S1600536812045795","","","0.71073","MoKα","","0.0971","0.0468","","","0.1038","0.1265","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237052","8.998","0.003","8.4","0.003","24.643","0.007","90","","90","","90","","1862.6","1.1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Dichloro-2,3-bis(chloromethyl)butane","","- C6 H10 Cl4 -","- C6 H10 Cl4 -","- C48 H80 Cl32 -","8","1","TK5174","Cordes, David B.; Aitken, Kati M.; Aitken, R. Alan","1,4-Dichloro-2,3-bis(chloromethyl)butane","Acta Crystallographica Section E","2012","68","12","o3495","","10.1107/S1600536812048398","","","0.71073","MoKα","","0.0319","0.03","","","0.0736","0.0748","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237085","9.908","0.002","10.398","0.002","11.176","0.002","90","","90","","90","","1151.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyanomethanaminium perchlorate","","- C2 H5 Cl N2 O4 -","- C2 H5 Cl N2 O4 -","- C16 H40 Cl8 N16 O32 -","8","1","XU5654","Quan, Jing","Cyanomethanaminium perchlorate","Acta Crystallographica Section E","2012","68","12","o3480","","10.1107/S1600536812047782","","","0.71073","MoKα","","0.0392","0.0344","","","0.0936","0.096","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237129","16.9888","0.0006","5.4501","0.0002","19.735","0.0008","90","","90","","90","","1827.28","0.12","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-Phenyloxane-2,4-dione","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","BX2433","Slater, Kara A.; Andersh, Brad; Flint, Edward B.; Ferrence, Gregory M.","6-Phenyloxane-2,4-dione","Acta Crystallographica Section E","2013","69","1","o69","","10.1107/S1600536812049781","","","0.71073","MoKα","","0.0721","0.0465","","","","0.1136","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237130","7.9657","0.0005","11.347","0.0007","23.513","0.002","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Glycine‒phthalic acid (1/1)","2-Azaniumylethanoate‒phthalic acid (1/1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","CV5360","Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.","Glycine‒phthalic acid (1/1)","Acta Crystallographica Section E","2013","69","1","o57","","10.1107/S160053681204977X","","","0.71073","MoKα","","0.0446","0.0342","","","0.086","0.0903","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237135","11.479","0.0004","14.0461","0.0005","14.3702","0.0007","90","","90","","90","","2316.98","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrophenyl 2-chlorobenzoate","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C104 H64 Cl8 N8 O32 -","8","1","FF2092","Iqbal, Asma; Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; Bolte, Michael","4-Nitrophenyl 2-chlorobenzoate","Acta Crystallographica Section E","2013","69","1","o96","","10.1107/S1600536812050362","","","0.71073","MoKα","","0.048","0.0441","","","0.1026","0.1049","","","","","","1.135","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237149","18.371","0.003","10.4844","0.0015","18.467","0.003","90","","90","","90","","3556.9","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-3-Benzyloxy-1-(4-methoxybenzyl)piperidine-2-thione","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C160 H184 N8 O16 S8 -","8","1","GO2079","Pienaar, Daniel P.; Khorasani, Sanaz; de Koning, Charles B.; Michael, Joseph P.","(±)-3-Benzyloxy-1-(4-methoxybenzyl)piperidine-2-thione","Acta Crystallographica Section E","2013","69","1","o21","","10.1107/S1600536812048854","","","0.71073","MoKα","","0.0674","0.0374","","","0.0871","0.0981","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237286","22.166","0.0004","12.7349","0.0002","23.3951","0.0004","90","","90","","90","","6604.01","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-(4-methylpiperazin-4-ium-1-yl)-10<i>H</i>- thieno[2,3-<i>b</i>][1,5]benzodiazepinium bis(2,4,6-trinitrophenolate)","","- C29 H26 N10 O14 S -","- C29 H26 N10 O14 S -","- C232 H208 N80 O112 S8 -","8","1","BV2217","Kavitha, C. N.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Dayananda, A. S.","Olanzapinium dipicrate","Acta Crystallographica Section E","2013","69","2","o232","o233","10.1107/S1600536813000640","","","1.54184","CuKα","","0.0464","0.0383","","","0.1004","0.1066","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237296","12.107","0.004","16.945","0.005","27.37","0.009","90","","90","","90","","5615","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>R</i>*,4a<i>R</i>*,7a<i>S</i>*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C272 H240 N16 O64 -","16","2","CV5382","Horak, Yuriy I.; Lytvyn, Roman Z.; Zubkov, Fedor I.; Nikitina, Eugeniya V.; Homza, Yuriy V.; Lis, Tadeusz; Kinzhybalo, Vasyl; Obushak, Mykola D.","(4<i>R</i>*,4a<i>R</i>*,7a<i>S</i>*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylic acid","Acta Crystallographica Section E","2013","69","2","o273","o274","10.1107/S160053681300144X","","","0.71073","MoKα","","0.0658","0.044","","","0.1192","0.1272","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237301","11.6168","0.0004","12.7385","0.0005","21.2429","0.0008","90","","90","","90","","3143.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>SR</i>,3<i>RS</i>,3a<i>SR</i>,6a<i>RS</i>)-Methyl 5-methyl-4,6-dioxo-3-[2-(trifluoromethyl)phenyl]octahydropyrrolo[3,4- <i>c</i>]pyrrole-1-carboxylate","","- C16 H15 F3 N2 O4 -","- C16 H15 F3 N2 O4 -","- C128 H120 F24 N16 O32 -","8","1","FF2094","Kudryavtsev, Konstantin V.; Ivantcova, Polina M.; Churakov, Andrei V.","(1<i>SR</i>,3<i>RS</i>,3a<i>SR</i>,6a<i>RS</i>)-Methyl 5-methyl-4,6-dioxo-3-[2-(trifluoromethyl)phenyl]octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","Acta Crystallographica Section E","2013","69","2","o161","o162","10.1107/S1600536812051471","","","0.71073","MoKα","","0.0522","0.0412","","","0.1074","0.1153","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237324","13.4466","0.0002","10.6921","0.0002","27.2057","0.0005","90","","90","","90","","3911.43","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)- 2,3-dihydro-1<i>H</i>-indol-2-one","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","HB7013","Penthala, Narsimha Reddy; Crooks, Peter A.","<i>rac</i>-<i>N</i>-Benzylisatincreatinine (unknown solvate)","Acta Crystallographica Section E","2013","69","2","o290","o291","10.1107/S1600536813000378","","","1.54178","CuKα","","0.04","0.0378","","","0.1023","0.1039","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237373","12.8391","0.0015","11.0697","0.0013","35.897","0.004","90","","90","","90","","5101.9","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(4-Chloroacetanilido-κ^2^<i>N</i>,<i>O</i>)bis[2-(pyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C30 H23 Cl Ir N3 O -","- C30 H23 Cl Ir N3 O -","- C240 H184 Cl8 Ir8 N24 O8 -","8","1","PK2461","Sun, Lijun; Zhang, Songlin; Song, Qijun","(4-Chloroacetanilido-κ^2^<i>N</i>,<i>O</i>)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2013","69","2","m98","","10.1107/S1600536813000433","","","0.7107","MoKα","","0.0691","0.0575","","","0.095","0.099","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237387","15.4611","0.0019","14.2436","0.0018","20.886","0.003","90","","90","","90","","4599.6","1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato- κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)calcium methanol tetrasolvate","","- C46 H54 Ca F4 O12 -","- C46 H54 Ca F4 O12 -","- C184 H216 Ca4 F16 O48 -","4","0.5","RU2047","Kim, Namseok; Noh, Heeso; Yoon, Sungho; Park, Chan Ryang","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)calcium methanol tetrasolvate","Acta Crystallographica Section E","2013","69","2","m122","m123","10.1107/S1600536813000044","","","0.71073","MoKα","","0.164","0.0636","","","0.1245","0.1645","","","","","","0.978","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237393","12.583","0.0007","9.8335","0.0005","23.6377","0.0013","90","","90","","90","","2924.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","RZ5038","Baharudin, M. Syukri; Taha, Muhammad; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2013","69","2","o276","","10.1107/S160053681300175X","","","0.71073","MoKα","","0.0622","0.0444","","","0.1105","0.1235","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237411","13.5472","0.0002","14.4747","0.0004","35.7902","0.0006","90","","90","","90","","7018.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carbonitrile","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C336 H288 N32 O16 S16 -","16","2","TK5186","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Sobahi, Tariq R.; Mustafa, Ghulam","2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section E","2013","69","2","o193","","10.1107/S160053681300007X","","","1.54184","CuKα","","0.0723","0.054","","","0.1441","0.1614","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237427","13.625","0.013","7.495","0.007","17.029","0.017","90","","90","","90","","1739","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>-{(<i>E</i>)-3-[(4-bromo-2- methylphenyl)imino]butan-2-ylidene}-2-methylaniline","","- C18 H18 Br2 N2 -","- C18 H18 Br2 N2 -","- C72 H72 Br8 N8 -","4","0.5","XU5666","Yao, Jin-Li; Zhang, Xu; Li, Hong-Yan; Ye, Jian-Qing","(<i>E</i>)-4-Bromo-<i>N</i>-{(<i>E</i>)-3-[(4-bromo-2-methylphenyl)imino]butan-2-ylidene}-2-methylaniline","Acta Crystallographica Section E","2013","69","2","o199","","10.1107/S1600536812052087","","","0.71073","MoKα","","0.1264","0.0523","","","0.0884","0.1134","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237468","14.7121","0.0015","17.5133","0.0019","28.912","0.003","90","","90","","90","","7449.4","1.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene","","- C42 H48 O6 -","- C42 H48 O6 -","- C336 H384 O48 -","8","1","FJ2615","Li, Zhengyi; Ma, Hongzhao; Lai, Yuan; Chen, Liang; Sun, Xiaoqiang","5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section E","2013","69","3","o424","","10.1107/S1600536813004625","","","0.71073","MoKα","","0.1179","0.0655","","","0.1903","0.22","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237502","10.292","0.0005","12.5518","0.0006","22.5857","0.0009","90","","90","","90","","2917.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-1<i>H</i>-1,2,3-benzotriazol-3-ium tetrachloridoferrate(III)","","- C8 H10 Cl4 Fe N3 -","- C8 H10 Cl4 Fe N3 -","- C64 H80 Cl32 Fe8 N24 -","8","1","HY2615","Sun, Zan; Hu, Dong-Cheng; Liu, Jia-Cheng","1,3-Dimethyl-1<i>H</i>-1,2,3-benzotriazol-3-ium tetrachloridoferrate(III)","Acta Crystallographica Section E","2013","69","3","m148","","10.1107/S1600536813003711","","","0.71073","MoKα","","0.0923","0.0566","","","0.1516","0.1825","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237555","11.3779","0.0008","8.0954","0.0006","27.3371","0.0018","90","","90","","90","","2518","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Methoxy-5-(pyrimidin-2-yl)phenyl]pyrimidine","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C120 H96 N32 O8 -","8","1","SJ5297","Hu, Jiena; Wu, Yang; Zhang, Dengqing; Li, Xianying; Jin, Wusong","2-[3-Methoxy-5-(pyrimidin-2-yl)phenyl]pyrimidine","Acta Crystallographica Section E","2013","69","3","o333","","10.1107/S1600536813002663","","","0.71073","MoKα","","0.051","0.0441","","","0.1154","0.1226","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237558","13.9211","0.0008","8.6383","0.0004","21.5316","0.0007","90","","90","","90","","2589.3","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methoxy-2-trifluoromethyl-1<i>H</i>-indole-3-carboxylate","","- C13 H12 F3 N O3 -","- C13 H12 F3 N O3 -","- C104 H96 F24 N8 O24 -","8","1","SU2553","Crochet, Aurelien; Alimi, Isak; Bochet, Christian G.; Fromm, Katharina M.","Ethyl 5-methoxy-2-trifluoromethyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o339","","10.1107/S1600536813002614","","","1.54186","CuKα","","0.0411","0.0373","","","0.0948","0.0966","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237571","8.3246","0.0003","14.9567","0.0006","16.4461","0.0007","90","","90","","90","","2047.68","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Allyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C80 H72 N24 O24 -","8","1","TK5200","Ouzidan, Younès; Kandri Rodi, Youssef; Kandri Rodi, Adiba; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","3","o431","","10.1107/S1600536813004790","","","0.71073","MoKα","","0.0725","0.0565","","","0.1533","0.1681","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237586","10.586","0.003","9.248","0.003","10.826","0.003","90","","90","","90","","1059.9","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>rac</i>-3,3,3-Trifluorolactic acid","<i>rac</i>-3,3,3-Trifluoro-2-hydroxypropanoic acid","","- C3 H3 F3 O3 -","- C3 H3 F3 O3 -","- C24 H24 F24 O24 -","8","1","ZL2532","Gerber, Thomas; Betz, Richard","<i>rac</i>-3,3,3-Trifluorolactic acid","Acta Crystallographica Section E","2013","69","3","o336","","10.1107/S1600536813003097","","","0.71073","MoKα","","0.0368","0.0306","","","0.0768","0.0813","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237683","11.9379","0.0003","10.3704","0.0003","16.7018","0.0005","90","","90","","90","","2067.7","0.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride","","- C10 H16 Cl8 N4 Sn -","- C10 H16 Cl8 N4 Sn -","- C40 H64 Cl32 N16 Sn4 -","4","0.5","PK2471","van Megen, Martin; Prömper, Stephan; Reiss, Guido J.","Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride","Acta Crystallographica Section E","2013","69","4","m217","","10.1107/S1600536813006806","","","0.71073","MoKα","","0.031","0.0204","","","0.0414","0.0439","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237715","12.1746","0.0011","13.9614","0.0013","20.2985","0.0019","90","","90","","90","","3450.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine","","- C18 H23 N5 -","- C18 H23 N5 -","- C144 H184 N40 -","8","1","SU2577","Fatima, Zeenat; Srinivasan, Thothadri; Koorathota, Suman; Thennarasu, Sathiah; Velmurugan, Devadasan","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine","Acta Crystallographica Section E","2013","69","4","o612","o613","10.1107/S1600536813007861","","","0.71073","MoKα","","0.0716","0.0487","","","0.1313","0.1475","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237738","16.8163","0.0003","9.8407","0.0002","17.2913","0.0004","90","","90","","90","","2861.44","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,9-Dimethyl-2,3-dihydrospiro[carbazole-1,2'-[1,3]dithiolan]-4(9<i>H</i>)-one","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C128 H136 N8 O8 S16 -","8","1","XU5690","Gülle, Sibel; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","3,9-Dimethyl-2,3-dihydrospiro[carbazole-1,2'-[1,3]dithiolan]-4(9<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o598","o599","10.1107/S1600536813007873","","","0.71073","MoKα","","0.0894","0.0752","","","0.1849","0.1948","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237745","15.7463","0.0002","21.8914","0.0003","28.6122","0.0004","90","","90","","90","","9862.9","0.2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride","","- C219 H204 Cl F9 O17 P16 Ru4 S3 -","- C219 H204 Cl F9 O17 P16 Ru4 S3 -","- C438 H408 Cl2 F18 O34 P32 Ru8 S6 -","2","0.25","ZS2249","Figueira, João; Rodrigues, João; Valkonen, Arto","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride","Acta Crystallographica Section E","2013","69","4","m226","","10.1107/S160053681300737X","","","0.71073","MoKα","","0.0774","0.0614","","","0.1406","0.1483","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237758","15.515","0.0006","12.9137","0.0006","17.8323","0.0006","90","","90","","90","","3572.8","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophenol‒1,3,5-triazine-2,4,6-triamine (2/1)","","- C15 H16 N8 O6 -","- C15 H16 N8 O6 -","- C120 H128 N64 O48 -","8","1","BH2476","Sangeetha, V.; Kanagathara, N.; Chakkaravarthi, G.; Marchewka, M.K.; Anbalagan, G.","3-Nitrophenol‒1,3,5-triazine-2,4,6-triamine (2/1)","Acta Crystallographica Section E","2013","69","6","o827","","10.1107/S1600536813011148","","","0.71073","MoKα","","0.0582","0.0417","","","0.1074","0.1189","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237771","10.4814","0.001","8.0528","0.0008","32.571","0.003","90","","90","","90","","2749.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline","","- C16 H18 N2 -","- C16 H18 N2 -","- C128 H144 N16 -","8","1","BT6904","Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline","Acta Crystallographica Section E","2013","69","6","o905","","10.1107/S160053681301249X","","","0.71073","MoKα","","0.0981","0.061","","","0.1578","0.1865","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237772","10.6804","0.0004","7.5196","0.0003","29.1355","0.001","90","","90","","90","","2339.94","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C96 H80 Br8 N24 O8 -","8","1","BT6905","Nayak, Prakash S.; Narayana, B.; Jasinski, Jerry P.; Yathirajan, H. S.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2013","69","6","o891","","10.1107/S1600536813012531","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237784","13.485","0.0004","15.7677","0.0004","16.7252","0.0004","90","","90","","90","","3556.24","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C19 H14 N2 O6 Zn -","- C19 H14 N2 O6 Zn -","- C152 H112 N16 O48 Zn8 -","8","1","CQ2004","Yotnoi, Bunlawee; Rujiwatra, Apinpus","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2013","69","6","m345","","10.1107/S1600536813014347","","","0.71073","MoKα","","0.0418","0.0283","","","0.0693","0.0747","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237804","15.6996","0.0017","8.8767","0.0009","29.591","0.003","90","","90","","90","","4123.8","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[2-(Trityloxy)phenyl]ethanone","","- C27 H22 O2 -","- C27 H22 O2 -","- C216 H176 O16 -","8","1","DS2228","Zhao, Pengying","1-[2-(Trityloxy)phenyl]ethanone","Acta Crystallographica Section E","2013","69","6","o918","","10.1107/S1600536813012956","","","0.71073","MoKα","","0.0772","0.0451","","","0.1101","0.1283","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237845","8.4669","0.0002","15.0636","0.0003","21.4516","0.0004","90","","90","","90","","2735.98","0.1","173","2","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4,5-Trimethoxy-4'-methylbiphenyl","","- C16 H18 O3 -","- C16 H18 O3 -","- C128 H144 O24 -","8","1","GO2088","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","3,4,5-Trimethoxy-4'-methylbiphenyl","Acta Crystallographica Section E","2013","69","5","o810","o811","10.1107/S1600536813010969","","","0.71069","MoKα","","0.0632","0.0431","","","0.1059","0.1172","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237867","8.159","0.0008","17.047","0.003","20.3974","0.0014","90","","90","","90","","2837","0.6","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(ethylenediamine) cobalt II chloride","Tris(ethylenediamine)cobalt(II) dichloride'","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","HB7079","Cooke, Kristin; Olenev, Andrei V.; Kovnir, Kirill","Tris(ethylenediamine)cobalt(II) dichloride","Acta Crystallographica Section E","2013","69","6","m332","","10.1107/S1600536813013135","","","1.54178","CuKα","","0.0288","0.0243","","","0.0574","0.0594","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237916","8.2175","0.0003","16.3257","0.0008","22.6793","0.001","90","","90","","90","","3042.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride","","- C4 H12 Cl Hg N7 S4 -","- C4 H12 Cl Hg N7 S4 -","- C32 H96 Cl8 Hg8 N56 S32 -","8","1","JJ2165","Shihabuddeen Syed, A.; Rajarajan, K.; NizamMohideen, M.","(Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride","Acta Crystallographica Section E","2013","69","6","i33","","10.1107/S1600536813011847","","","0.71073","MoKα","","0.0663","0.0355","","","0.0705","0.0816","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238006","27.251","0.004","7.4457","0.0006","11.99","0.009","90","","90","","90","","2432.8","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","RZ5053","Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela","2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole","Acta Crystallographica Section E","2013","69","5","o667","o668","10.1107/S1600536813008970","","","0.71073","Mokα","","0.1687","0.0554","","","0.1378","0.1675","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238010","8.0542","0.0008","16.4104","0.0019","21.635","0.002","90","","90","","90","","2859.6","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C128 H120 N24 O16 -","8","1","RZ5057","Bassoude, Ibtissam; Berteina-Raboin, Sabine; Essassi, El Mokhtar; Guillaumet, Gérald; El Ammari, Lahcen","Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate","Acta Crystallographica Section E","2013","69","5","o740","","10.1107/S1600536813009902","","","0.71073","MoKα","","0.0801","0.052","","","0.1475","0.1697","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238011","6.686","0.0002","23.3658","0.0007","24.3281","0.0008","90","","90","","90","","3800.6","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(2-methoxyaniline-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C16 H18 Cd N4 O2 S2 -","- C16 H18 Cd N4 O2 S2 -","- C128 H144 Cd8 N32 O16 S16 -","8","1","RZ5058","Chemli, Rakia; Kamoun, Slaheddine; Roisnel, Thierry","<i>catena</i>-Poly[[bis(2-methoxyaniline-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2013","69","5","m292","m293","10.1107/S1600536813010738","","","0.71073","MoKα","","0.0379","0.0253","","","0.0504","0.055","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238068","11.2236","0.0002","13.4714","0.0004","16.5303","0.0004","90","","90","","90","","2499.34","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(pyridin-2-ylmethyl)ammonium nitrate","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C96 H112 N32 O24 -","8","1","VN2068","Abrahams, Abubak'r; van Brecht, Bernardus; Betz, Richard","Bis(pyridin-2-ylmethyl)ammonium nitrate","Acta Crystallographica Section E","2013","69","5","o661","","10.1107/S1600536813008593","","","0.71073","MoKα","","0.0502","0.0414","","","0.1145","0.1224","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238094","21.7784","0.0005","7.8573","0.0003","25.1034","0.0005","90","","90","","90","","4295.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","","- C17 H14 Cl4 N5 O P3 -","- C17 H14 Cl4 N5 O P3 -","- C136 H112 Cl32 N40 O8 P24 -","8","1","XU5701","Işıklan, Muhammet; Sonkaya, Ömer; Hökelek, Tuncer","4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","Acta Crystallographica Section E","2013","69","6","o861","o862","10.1107/S1600536813012348","","","0.71073","MoKα","","0.0935","0.0476","","","0.1051","0.1291","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238141","11.2203","0.0007","13.5658","0.0007","24.1946","0.0013","90","","90","","90","","3682.7","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)naphthalen-1-amine","","- C25 H19 N -","- C25 H19 N -","- C200 H152 N8 -","8","1","CV5411","Lee, Jae Kyun; Nam, Kee Dal; Cha, Joo Hwan; Cho, Yong Seo; Lee, Joon Kyun","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)naphthalen-1-amine","Acta Crystallographica Section E","2013","69","7","o1025","","10.1107/S1600536813014888","","","0.71075","MoKα","","0.1245","0.0611","","","0.1479","0.1968","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238155","9.4097","0.0005","9.2191","0.0005","18.7473","0.0009","90","","90","","90","","1626.31","0.15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine","","- C18 H24 N4 -","- C18 H24 N4 -","- C72 H96 N16 -","4","0.5","FJ2633","Goh, Christopher; Morris, Lilliana S.; Girouard, Michael P.; Chidanguro, Tamuka; Jasinski, Jerry P.","(2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine","Acta Crystallographica Section E","2013","69","7","o1101","","10.1107/S160053681301605X","","","1.5418","CuKα","","0.0477","0.0444","","","0.127","0.1311","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238176","12.29","0.008","13.548","0.009","17.24","0.011","90","","90","","90","","2871","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","HB7091","Sreenivasa, S.; Darshan, D.; Lohith, T. N.; Mamatha, G. R.; Palakshamurthy, B. S.; Suchetan, P. A.","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide","Acta Crystallographica Section E","2013","69","7","o1090","","10.1107/S1600536813015912","","","0.71073","MoKα","","0.0469","0.0391","","","0.0897","0.0948","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238180","12.8221","0.0006","10.7281","0.0004","16.3785","0.0006","90","","90","","90","","2252.97","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Acetyl-2,4-dimethylquinolin-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","HB7097","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Acetyl-2,4-dimethylquinolin-1-ium chloride","Acta Crystallographica Section E","2013","69","7","o1142","","10.1107/S160053681301684X","","","0.71073","MoKα","","0.043","0.0351","","","0.0911","0.0987","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238205","7.1508","0.001","12.307","0.0018","21.431","0.003","90","","90","","90","","1886","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate","","- C7 H8 B F4 N3 -","- C7 H8 B F4 N3 -","- C56 H64 B8 F32 N24 -","8","1","KQ2005","Wei, Siping; Wang, Li; Wang, Qin","2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate","Acta Crystallographica Section E","2013","69","7","o1051","","10.1107/S1600536813015535","","","0.71073","MoKα","","0.0844","0.0772","","","0.2331","0.2449","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238221","8.5174","0.0005","12.3094","0.0007","15.2597","0.0009","90","","90","","90","","1599.89","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","m-Xylylene dichloride","1,3-Bis(chloromethyl)benzene","","- C8 H8 Cl2 -","- C8 H8 Cl2 -","- C64 H64 Cl16 -","8","1","MW2106","Sanders, Marisa B.; Leon, David; Ndichie, Eddy I.; Chan, Benny C.","1,3-Bis(chloromethyl)benzene","Acta Crystallographica Section E","2013","69","7","o1150","","10.1107/S1600536813016383","","","0.71073","MoKα","","0.0265","0.0232","","","0.0623","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238230","9.344","0.0019","11.352","0.002","25.719","0.005","90","","90","","90","","2728.1","0.9","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4(3<i>H</i>)-one","","- C12 H11 Cl3 N2 O2 -","- C12 H11 Cl3 N2 O2 -","- C96 H88 Cl24 N16 O16 -","8","1","PV2636","Utayeva, Fotima Rabbimovna; Okmanov, Rasul Yangiberdievich; Mukarramov, Nuridin Isomidinovich; Shakhidoyatov, Khusnutdin Muhitovich; Tashkhodjaev, Bakhodir","3-Methyl-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1094","","10.1107/S1600536813016073","","","1.54184","CuKα","","0.0504","0.0402","","","0.1112","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238265","9.1349","0.0009","7.9451","0.0005","15.6121","0.0013","90","","90","","90","","1133.09","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","","- C6 H14 Cl2 N6 Ni -","- C6 H14 Cl2 N6 Ni -","- C24 H56 Cl8 N24 Ni4 -","4","0.5","SU2612","Kannan, Piskala Subburaman; Ganeshraja, Ayyakannu Sundaram; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalatheva","<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2013","69","7","m410","","10.1107/S1600536813016747","","","0.71073","MoKα","","0.051","0.0445","","","0.1238","0.1286","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238277","10.7285","0.0003","18.547","0.0004","38.0785","0.0009","90","","90","","90","","7576.9","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II)","","- C40 H36 O2 P2 Ru S4 -","- C40 H36 O2 P2 Ru S4 -","- C320 H288 O16 P16 Ru8 S32 -","8","1","VN2074","Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","<i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2013","69","7","m408","m409","10.1107/S1600536813016735","","","0.71073","MoKα","","0.0637","0.039","","","0.0843","0.0967","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238296","13.0939","0.0007","8.9752","0.0005","14.2986","0.0011","90","","90","","90","","1680.38","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]","","- C4 H3 Cd N3 S2 -","- C4 H3 Cd N3 S2 -","- C32 H24 Cd8 N24 S16 -","8","1","ZL2553","Reinert, Thorben; Jess, Inke; Näther, Christian","Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]","Acta Crystallographica Section E","2013","69","7","m398","","10.1107/S1600536813015870","","","0.71073","MoKα","","0.0343","0.0334","","","0.089","0.0897","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238297","18.8842","0.0011","9.5339","0.0004","19.114","0.0009","90","","90","","90","","3441.3","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Phenyl-3,5-dihydro-<i>o</i>-benzenonaphtho[1,2-<i>c</i>]thiophene","8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene","","- C24 H18 S -","- C24 H18 S -","- C192 H144 S8 -","8","1","ZL2554","Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene","Acta Crystallographica Section E","2013","69","7","o1165","","10.1107/S1600536813017285","","","0.71073","MoKα","","0.0649","0.0421","","","0.1148","0.138","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238358","10.1474","0.0015","8.6979","0.0013","18.073","0.003","90","","90","","90","","1595.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Cyanoanilinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C56 H56 I8 N16 -","8","1","HB7106","Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","2-Cyanoanilinium iodide","Acta Crystallographica Section E","2013","69","8","o1288","","10.1107/S1600536813019314","","","0.71073","MoKα","","0.0168","0.0162","","","0.0402","0.0408","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238369","15.551","0.007","17.022","0.007","20.865","0.009","90","","90","","90","","5523","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium","","- C30 H38 Ba N2 -","- C30 H38 Ba N2 -","- C240 H304 Ba8 N16 -","8","1","HP2057","Kazhdan, Daniel; Rozenel, Sergio S.","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium","Acta Crystallographica Section E","2013","69","8","m429","","10.1107/S1600536813017170","","","0.71073","MoKα","","0.0386","0.0275","","","0.065","0.0708","","","","","","1.067","","","","has coordinates,has Fobs","192353","2020-10-21","18:00:00",""
"2238416","14.078","0.005","20.416","0.005","20.789","0.005","90","","90","","90","","5975","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Ethyl-4'-(1<i>H</i>-indol-3-ylcarbonyl)-1'-methyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbonitrile dimethyl sulfoxide monosolvate","","- C33 H31 N5 O4 S -","- C33 H31 N5 O4 S -","- C264 H248 N40 O32 S8 -","8","1","RK2408","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","1-Ethyl-4'-(1<i>H</i>-indol-3-ylcarbonyl)-1'-methyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2013","69","8","o1328","o1329","10.1107/S1600536813020485","","","0.71073","MoKα","","0.0733","0.0415","","","0.0971","0.1195","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238417","11.312","0.005","28.284","0.008","9.294","0.004","90","","90","","90","","2974","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-(Benzyliminiumyl)methyl]-6,8-dichloro-2<i>H</i>-chromen-4-olate","","- C17 H13 Cl2 N O2 -","- C17 H13 Cl2 N O2 -","- C136 H104 Cl16 N8 O16 -","8","1","RN2117","Ishikawa, Yoshinobu; Motohashi, Yuya","3-[(<i>E</i>)-(Benzyliminiumyl)methyl]-6,8-dichloro-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2013","69","8","o1225","","10.1107/S1600536813018072","","","0.71069","MoKα","","","0.034","","","","0.0946","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238439","9.5785","0.0006","8.5687","0.0005","20.2229","0.0013","90","","90","","90","","1659.8","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Cyano-1-methylpyridinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C56 H56 I8 N16 -","8","1","TK5240","Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","2-Cyano-1-methylpyridinium iodide","Acta Crystallographica Section E","2013","69","8","o1281","","10.1107/S1600536813019302","","","0.71073","MoKα","","0.0504","0.0356","","","0.0803","0.0908","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238521","8.2663","0.0011","11.1661","0.0013","39.478","0.006","90","","90","","90","","3643.9","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>,<i>Z</i>)-1-(4-Chlorophenyl)-5-phenyl-5-(phenylsulfanyl)penta-2,4-dien-1-one","","- C23 H17 Cl O S -","- C23 H17 Cl O S -","- C184 H136 Cl8 O8 S8 -","8","1","LD2112","Vologzhanina, Anna V.; Gusev, Dmitry M.; Golovanov, Alexander A.; Pisareva, Valentina S.","(<i>E</i>,<i>Z</i>)-1-(4-Chlorophenyl)-5-phenyl-5-(phenylsulfanyl)penta-2,4-dien-1-one","Acta Crystallographica Section E","2013","69","9","o1479","","10.1107/S160053681302312X","","","0.71073","MoKα","","0.1117","0.0491","","","0.0779","0.0995","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238542","10.889","0.002","10.11","0.002","17.01","0.003","90","","90","","90","","1872.6","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3-Xylidinium nitrate","2,3-Dimethylanilinium nitrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","PV2645","Kefi, Chourouk; Marouani, Houda; Rzaigui, Mohamed","2,3-Xylidinium nitrate","Acta Crystallographica Section E","2013","69","9","o1475","","10.1107/S1600536813023465","","","0.56083","AgKα","","0.3175","0.0597","","","0.1084","0.1782","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238553","9.8965","0.0002","15.2329","0.0003","20.1122","0.0004","90","","90","","90","","3031.96","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pruniflorone N","3,6,11-Trihydroxy-1,1-dimethyl-2,3-dihydrochromeno[2,3-<i>f</i>]chromen-7-one monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","1","SJ5348","Boonnak, Nawong; Chantrapromma, Suchada; Fun, Hoong-Kun","Racemic 2'-hydroxy-4',4'-dimethylpyran-1,5-dihydroxyxanthone monohydrate","Acta Crystallographica Section E","2013","69","9","o1456","o1457","10.1107/S1600536813021223","","","0.71073","MoKα","","0.0581","0.0519","","","0.1405","0.1453","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238596","10.745","0.0002","10.1737","0.0002","21.6588","0.0004","90","","90","","90","","2367.66","0.08","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(2-Methylbenzoyl)benzoic acid","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","BG2513","Platosz, Natalia A.; Lalancette, Roger A.; Thompson, Hugh W.; Newman, Jacob M.; Schachter, Ari","2-(2-Methylbenzoyl)benzoic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica Section E","2013","69","10","o1547","o1548","10.1107/S1600536813025099","","","1.54178","CuKα","","0.031","0.03","","","0.075","0.076","","","","","","1.07","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238598","7.286","0.004","15.148","0.008","25.84","0.014","90","","90","","90","","2852","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide","","- C13 H10 Cl N3 O3 S -","- C13 H10 Cl N3 O3 S -","- C104 H80 Cl8 N24 O24 S8 -","8","1","BG2516","Yamin, Bohari M.; Yusof, Diyana; Hasbullah, Siti Aishah","3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide","Acta Crystallographica Section E","2013","69","10","o1567","","10.1107/S1600536813025440","","","0.71073","MoKα","","0.0733","0.0446","","","0.101","0.1165","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238631","10.1889","0.0012","15.2033","0.0005","21.6254","0.0009","90","","90","","90","","3349.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))","","- C36 H40 Cu2 N4 O8 -","- C36 H40 Cu2 N4 O8 -","- C144 H160 Cu8 N16 O32 -","4","0.5","HG5344","Sydoruk, Tetyana V.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))","Acta Crystallographica Section E","2013","69","10","m551","m552","10.1107/S1600536813025105","","","0.71073","MoKα","","0.0449","0.0313","","","0.0789","0.0835","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238636","15.3862","0.0019","8.2397","0.001","27.198","0.004","90","","90","","90","","3448.1","0.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate","","- C26 H22 Ag2 Cl4 N12 O6 -","- C26 H22 Ag2 Cl4 N12 O6 -","- C104 H88 Ag8 Cl16 N48 O24 -","4","0.5","HY2636","Guo, Ying; Cai, Hua","Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate","Acta Crystallographica Section E","2013","69","10","m525","","10.1107/S1600536813024021","","","0.71073","MoKα","","0.0493","0.0389","","","0.1049","0.1129","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238648","12.1162","0.0005","11.9638","0.0005","24.9181","0.0009","90","","90","","90","","3612","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclopentane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","","- C18 H16 Cl N4 O3 Re -","- C18 H16 Cl N4 O3 Re -","- C144 H128 Cl8 N32 O24 Re8 -","8","1","LH5644","Clegg, Oliver R.; Harding, Lindsay P.; Miller, John W.; Rice, Craig R.","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclopentane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","Acta Crystallographica Section E","2013","69","10","m526","","10.1107/S1600536813023076","","","0.71073","MoKα","","0.0611","0.0372","","","0.0676","0.0749","","","","","","1.041","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238651","8.3121","0.0008","6.0287","0.0006","35.93","0.003","90","","90","","90","","1800.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]","","- C7 H7 Na O4 S -","- C7 H7 Na O4 S -","- C56 H56 Na8 O32 S8 -","8","1","LH5648","Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun","Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]","Acta Crystallographica Section E","2013","69","10","m558","","10.1107/S1600536813025919","","","0.71073","MoKα","","0.0375","0.0369","","","0.1003","0.1007","","","","","","1.202","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238662","16.251","0.003","10.473","0.002","19.973","0.004","90","","90","","90","","3399.3","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(6,6-Dimethyl-1-phenyl-6,7-dihydro-5<i>H</i>-pyrrolizin-2-yl)(thiophen-2-yl)methanone","","- C20 H19 N O S -","- C20 H19 N O S -","- C160 H152 N8 O8 S8 -","8","1","PK2493","Liu, Yu-min; Zhong, Jia-liang; Sun, Wen-xia; Zhang, Fu-li; Liu, He","(6,6-Dimethyl-1-phenyl-6,7-dihydro-5<i>H</i>-pyrrolizin-2-yl)(thiophen-2-yl)methanone","Acta Crystallographica Section E","2013","69","10","o1513","","10.1107/S1600536813023489","","","0.71073","MoKα","","0.0698","0.0462","","","0.1194","0.1314","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238686","13.024","0.003","8.411","0.0017","23.143","0.005","90","","90","","90","","2535.2","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Benzylcarbamoyl)nicotinic acid","2-(Benzylcarbamoyl)pyridine-3-carboxylic acid","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","XU5724","Mao, Yan-Cao; Wu, Hao; Shan, Jin-Jun; Yan, Ke","2-(Benzylcarbamoyl)nicotinic acid","Acta Crystallographica Section E","2013","69","10","o1520","","10.1107/S1600536813024483","","","0.71073","MoKα","","0.1133","0.0569","","","0.1434","0.1671","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238694","13.138","0.002","10.0323","0.0019","17.838","0.003","90","","90","","90","","2351.1","0.7","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","","- C13 H11 N3 Se -","- C13 H11 N3 Se -","- C104 H88 N24 Se8 -","8","1","ZS2275","Wu, Zhaojun; Li, Yiqun; Zhou, Hua; Zhou, Meiyun","<i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","Acta Crystallographica Section E","2013","69","10","o1497","","10.1107/S1600536813023659","","","1.54178","CuKα","","0.1245","0.0939","","","0.2853","0.3141","","","","","","1.279","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238750","13.2676","0.0003","13.5572","0.0003","17.1246","0.0004","90","","90","","90","","3080.23","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrobenzeneaminium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 N2 O9 S -","- C13 H14 N2 O9 S -","- C104 H112 N16 O72 S8 -","8","1","IS5308","Sivakumar, P. K.; Kumar, M. Krishna; Chakkaravarthi, G.; Kumar, R. Mohan; Kanagadurai, R.","4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2013","69","11","o1609","","10.1107/S1600536813026779","","","0.71073","MoKα","","0.0456","0.0375","","","0.1019","0.1074","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238764","17.1086","0.0006","15.0188","0.0004","19.9578","0.0007","90","","90","","90","","5128.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris[4-bromo-2-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","","- C24 H21 Br3 Co N3 O3 -","- C24 H21 Br3 Co N3 O3 -","- C192 H168 Br24 Co8 N24 O24 -","8","1","LH5657","Huang, Qiu-Ping; Zhang, Chun-Lian; Zhao, Ru-Xia; Yang, Li; Jiang, Xi-Fu","Tris[4-bromo-2-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","Acta Crystallographica Section E","2013","69","11","m601","","10.1107/S1600536813027591","","","0.71073","MoKα","","0.074","0.0406","","","0.0769","0.0894","","","","","","1.01","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238781","9.2709","0.0019","11.812","0.002","15.982","0.003","90","","90","","90","","1750.2","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-chloro-<i>N</i>-methylbenzamide","","- C8 H9 Cl N2 O -","- C8 H9 Cl N2 O -","- C64 H72 Cl8 N16 O8 -","8","1","RZ5085","Liang, Yan-Hui; Mei, Xiang-Dong; Li, Yao-Fa; Pan, Wen-Liang; Ning, Jun","2-Amino-6-chloro-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2013","69","11","o1642","","10.1107/S1600536813027827","","","0.71073","MoKα","","0.0741","0.0646","","","0.1331","0.1386","","","","","","1.174","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238807","18.0158","0.0004","5.9346","0.0001","25.548","0.0008","90","","90","","90","","2731.5","0.11","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C112 H104 N8 O32 S8 -","8","1","TK5268","Maganhi, Stella H.; Tavares, Maurício T.; Damião, Mariana C. F. C. B.; Parise Filho, Roberto","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide: an analogue of capsaicin","Acta Crystallographica Section E","2013","69","11","o1700","","10.1107/S1600536813028481","","","0.71073","MoKα","","0.0774","0.0512","","","0.1322","0.1492","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238833","12.537","0.003","6.6745","0.0013","28.975","0.006","90","","90","","90","","2424.6","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium","","- C4 H10 Cd N10 O6 -","- C4 H10 Cd N10 O6 -","- C32 H80 Cd8 N80 O48 -","8","1","BH2488","Liang, Qian; Wang, Yulin; Zhao, Yan; Cao, Gaojuan","Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium","Acta Crystallographica Section E","2013","69","12","m645","m646","10.1107/S1600536813030158","","","0.71073","MoKα","","0.0299","0.0293","","","0.0782","0.0786","","","","","","1.065","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238847","19.3078","0.0015","11.2651","0.0008","20.535","0.003","90","","90","","90","","4466.5","0.8","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-<i>μ</i>~2~-acetato-1:2<i>κ</i>^2^<i>O</i>:<i>O</i>';2:3<i>κ</i>^2^<i>O</i>:<i>O</i>'-bis{<i>μ</i>~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>κ</i>^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>κ</i>^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium(II)","","- C42 H42 Cd3 Cl4 N4 O8 -","- C42 H42 Cd3 Cl4 N4 O8 -","- C168 H168 Cd12 Cl16 N16 O32 -","4","0.5","CQ2008","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko; Shinmyozu, Teruo; Goto, Kenta","Di-<i>{μ</i>}~2~-acetato-1:2<i>{κ</i>}^2^<i>O</i>:<i>O</i>';2:3<i>{κ</i>}^2^<i>O</i>:<i>O</i>'-bis{<i>{μ</i>}~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>{κ</i>}^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>{κ</i>}^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium","Acta Crystallographica Section E","2013","69","12","m629","m630","10.1107/S1600536813029413","","","0.71075","MoKα","","","0.0186","","","","0.058","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238849","14.693","0.002","13.531","0.002","16.347","0.002","90","","90","","90","","3250","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","","- C16 H13 Cl2 N3 O2 -","- C16 H13 Cl2 N3 O2 -","- C128 H104 Cl16 N24 O16 -","8","1","CV5435","Li, Yang; Sun, Chen; Zhang, Ran","Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","Acta Crystallographica Section E","2013","69","12","o1796","","10.1107/S160053681303033X","","","0.71073","MoKα","","0.0678","0.0545","","","0.1582","0.1704","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238889","7.1135","0.0008","19.4512","0.0011","30.8","0.002","90","","90","","90","","4261.7","0.6","223.15","","223.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate","","- C24 H20 N2 O9 -","- C24 H20 N2 O9 -","- C192 H160 N16 O72 -","8","1","LH5664","Zhong, Kai-Long","2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate","Acta Crystallographica Section E","2013","69","12","o1782","o1783","10.1107/S1600536813030857","","","0.71073","MoKα","","0.1489","0.0881","","","0.2192","0.2719","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238897","18.086","0.0004","19.1755","0.0004","19.4619","0.0004","90","","90","","90","","6749.5","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]","","- C12 H38 Br10 N4 O Sb2 -","- C12 H38 Br10 N4 O Sb2 -","- C96 H304 Br80 N32 O8 Sb16 -","8","1","NC2318","Kharrat, Houda; Kamoun, Slaheddine; Michaud, François","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]","Acta Crystallographica Section E","2013","69","12","m637","m638","10.1107/S1600536813028894","","","0.71073","MoKα","","0.1261","0.0473","","","0.0748","0.089","","","","","","1.014","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238929","11.4484","0.0019","9.0914","0.0015","13.23","0.002","90","","90","","90","","1377","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-3-hydroxy-6-methylpyridine","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C48 H48 Br8 N8 O8 -","8","1","SU2659","Singh, Govind Pratap; Rajesh Goud, N.; Jeevan Kumar, P.; Sundaresan, C. N.; Nageswara Rao, G.","2-Bromo-3-hydroxy-6-methylpyridine","Acta Crystallographica Section E","2013","69","12","o1729","","10.1107/S1600536813029498","","","0.71073","MoKα","","0.0328","0.0245","","","0.0611","0.0659","","","","","","1.063","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238948","12.187","0.002","12.98","0.002","13.437","0.002","90","","90","","90","","2125.6","0.6","293","2","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate","","- C8 H34 Co N4 O14 S2 -","- C8 H34 Co N4 O14 S2 -","- C32 H136 Co4 N16 O56 S8 -","4","0.5","ZL2569","Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed","Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2013","69","12","m649","m650","10.1107/S1600536813030365","","","0.56085","AgKα","","0.099","0.045","","","0.093","0.1075","","","","","","1.037","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238974","16.4075","0.0002","15.7975","0.0003","27.1065","0.0004","90","","90","","90","","7025.94","0.19","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","","- C33 H56 Br2 N4 Rh2 -","- C33 H56 Br2 N4 Rh2 -","- C264 H448 Br16 N32 Rh16 -","8","1","","Pawar, Gajanan Manohar; Wurst, Klaus; Wang, Dongren; Buchmeiser, Michael","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","Acta Crystallographica Section E","2014","70","2","m71","m72","10.1107/S1600536814001135","","","0.71073","MoKα","","0.0469","0.0333","","","0.0713","0.0776","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238990","15.9332","0.0007","7.8915","0.0003","30.4062","0.0014","90","","90","","90","","3823.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","LH5681","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","2","o190","","10.1107/S1600536814001263","","","0.71073","MoKα","","0.1193","0.0475","","","0.083","0.1016","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239053","17.932","0.0007","11.112","0.0004","18.5968","0.0007","90","","90","","90","","3705.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C160 H144 Cl8 N24 O24 -","8","1","CV5438","Govindan, E.; Yuvaraj, PanneerSelvam; Reddy, Boreddy Siva Rami; Premalatha, K.; SubbiahPandi, A.","(4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","Acta Crystallographica Section E","2014","70","2","o173","","10.1107/S1600536814000191","","","0.71073","MoKα","","0.097","0.0437","","","0.1024","0.1335","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239151","7.0182","0.0005","16.0165","0.0012","26.7488","0.0015","90","","90","","90","","3006.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","","- C12 H11 Cl3 N2 O4 -","- C12 H11 Cl3 N2 O4 -","- C96 H88 Cl24 N16 O32 -","8","1","","Usha, M. K.; Shetty, Shobhitha; Kalluraya, B.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","Acta Crystallographica Section E","2014","70","1","o13","","10.1107/S160053681303242X","","","0.71073","MoKα","","0.0851","0.0477","","","0.0967","0.1178","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239183","7.84207","0.00014","14.2305","0.0003","27.6218","0.0005","90","","90","","90","","3082.5","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(4-Methylpiperazin-1-yl)-(2,3,4-trimethoxybenzylidene)amine","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","HG5389","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, H.S.","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","Acta Crystallographica Section E","2014","70","4","o500","","10.1107/S1600536814006291","","","1.54184","CuKα","","0.0443","0.0395","","","0.1089","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239186","8.347","0.003","7.063","0.003","39.946","0.016","90","","90","","90","","2355","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Chen, Jingjing; Yuan, Jianchao; Zhao, Jie; Xu, Weibing; Mu, Yanqiong","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","Acta Crystallographica Section E","2014","70","4","o455","","10.1107/S1600536814005686","","","0.71073","MoKα","","0.1316","0.0691","","","0.1146","0.135","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239203","7.1825","0.0009","17.9973","0.0015","19.41","0.003","90","","90","","90","","2509","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dimethylammonium copper sulfate tetrahydrate","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","","- C2 H17 Cu N O12 S2 -","- C2 H17 Cu N O12 S2 -","- C16 H136 Cu8 N8 O96 S16 -","8","1","WM5006","Held, Peter","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","Acta Crystallographica Section E","2014","70","4","m119","","10.1107/S1600536814004486","","","0.71073","MoKα","","0.0921","0.032","","","0.0753","0.0917","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239225","9.1927","0.0005","12.4711","0.0007","18.9806","0.0011","90","","90","","90","","2176","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","0.5","XU5776","Ohno, Keiji; Fujihara, Takashi; Nagasawa, Akira","An orthorhombic polymorph of <i>N</i>^1^,<i>N</i>^4^-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","Acta Crystallographica Section E","2014","70","4","o495","o496","10.1107/S1600536814006254","","","0.71073","MoKα","","0.0521","0.0463","","","0.1281","0.1326","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239238","17.2597","0.0006","13.5463","0.0004","18.9683","0.0007","90","","90","","90","","4434.9","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","","- C24 H17 Cl2 N3 O3 -","- C24 H17 Cl2 N3 O3 -","- C192 H136 Cl16 N24 O24 -","8","1","BT6969","Bakare, Oladapo; Thompson, Candice; Brandy, Yakini; Butcher, Ray J.","2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","Acta Crystallographica Section E","2014","70","4","o503","o504","10.1107/S1600536814006035","","","0.71073","MoKα","","0.2096","0.0438","","","0.058","0.0788","","","","","","0.771","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239319","11.455","0.0003","11.2239","0.0003","44.3776","0.001","90","","90","","90","","5705.6","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C288 H288 O32 -","16","2","RN2124","Lough, Alan J.; Raheem, Mohammed-Abdul; Tam, William","<i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","Acta Crystallographica Section E","2014","70","5","o546","","10.1107/S1600536814007739","","","1.54178","CuKα","","0.0416","0.0394","","","0.0968","0.0988","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239329","9.503","0.0018","10.2912","0.0016","25.347","0.005","90","","90","","90","","2478.9","0.8","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-Methyl-8-(1-phenylethenyl)-3,9-dioxa-4,8-diazatricyclo[5.2.1.0^2,6^]dec-4-ene","(3-Methyl-3a,4,7,7a-tetrahydro-5<i>H</i>-4,7-\ methanoisoxazolo[4,5-<i>d</i>][1,2]oxazin-5-yl)(phenyl)methanone","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","IS5350","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","(3-Methyl-3a,4,7,7a-tetrahydro-5<i>H</i>-4,7-methanoisoxazolo[4,5-<i>d</i>][1,2]oxazin-5-yl)(phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o543","","10.1107/S1600536814007740","","","0.71073","MoKα","","0.0608","0.0405","","","0.092","0.1013","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239332","10.3091","0.0004","9.1309","0.0004","29.2552","0.0013","90","","90","","90","","2753.8","0.2","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","TK5301","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","Acta Crystallographica Section E","2014","70","5","o545","","10.1107/S1600536814007764","","","1.54178","CuKα","","0.0387","0.0364","","","0.0948","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239336","16.7802","0.0003","14.669","0.0003","18.4735","0.0004","90","","90","","90","","4547.23","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C216 H224 N16 O32 -","8","1","","Vijayakumar, Vinodhkumar; Peters, Gunther H.; Suresh, M.; Raghavachary, Raghunathan; Jagadeesan, G.","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","5","o540","","10.1107/S1600536814007065","","","0.71073","MoKα","","0.0581","0.0385","","","0.0973","0.1109","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239356","13.9312","0.0011","9.2315","0.0007","27.423","0.002","90","","90","","90","","3526.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-\ 3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","NK2220","Fuchs, Monica; Zevaco, Thomas; Dinjus, Eckhard; Walter, Olaf","<i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","Acta Crystallographica Section E","2014","70","5","m187","m188","10.1107/S1600536814008381","","","0.71073","MoKα","","0.028","0.0231","","","0.0606","0.0633","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239400","10.7954","0.0003","10.1809","0.0002","20.839","0.0005","90","","90","","90","","2290.35","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Hegazy, Amany S.; Kariuki, Benson M.","2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide","Acta Crystallographica Section E","2014","70","3","o351","o352","10.1107/S1600536814003729","","","1.54184","CuKα","","0.0599","0.046","","","0.1445","0.1539","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239425","14.5228","0.0005","12.4663","0.0004","15.2354","0.0005","90","","90","","90","","2758.3","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","SU2693","Öncüoğlu, Serkan; Dilek, Nefise; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o240","","10.1107/S1600536814002098","","","0.71073","MoKα","","0.0634","0.0493","","","0.1242","0.1332","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239455","12.233","0.0005","13.4144","0.0006","16.332","0.0009","90","","90","","90","","2680.1","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzotriazolium 4-methylbenzenesulfonate","","- C13 H13 N3 O3 S -","- C13 H13 N3 O3 S -","- C104 H104 N24 O24 S8 -","8","1","BT6963","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Benzotriazolium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2014","70","3","o350","","10.1107/S1600536814003857","","","0.71073","MoKα","","0.0678","0.04","","","0.0908","0.1082","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239481","12.8642","0.0003","9.2013","0.0002","13.2578","0.0003","90","","90","","90","","1569.29","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitrophthalonitrile","4-Nitrobenzene-1,2-dicarbonitrile","","- C8 H3 N3 O2 -","- C8 H3 N3 O2 -","- C64 H24 N24 O16 -","8","1","","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrophthalonitrile","Acta Crystallographica Section E","2014","70","3","o323","","10.1107/S1600536814003468","","","1.54184","CuKα","","0.0313","0.0298","","","0.0864","0.0878","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239489","9.0254","0.0013","7.7388","0.0012","42.488","0.007","90","","90","","90","","2967.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>Z</i>)-2-Benzylidene-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H13 N O S -","- C18 H13 N O S -","- C144 H104 N8 O8 S8 -","8","1","TK5310","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","(2<i>Z</i>)-2-Benzylidene-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","5","o614","","10.1107/S1600536814009179","","","0.71073","MoKα","","0.074","0.0457","","","0.109","0.1241","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239494","7.411","0.005","12.314","0.005","29.684","0.005","90","","90","","90","","2709","2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","XU5785","Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","(<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","Acta Crystallographica Section E","2014","70","5","o603","","10.1107/S1600536814008873","","","0.71073","MoKα","","0.0565","0.0425","","","0.096","0.1024","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239496","16.2808","0.0008","10.4348","0.0005","16.2905","0.0007","90","","90","","90","","2767.5","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Usha, G.; Jovita, J.","(<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","5","o593","o594","10.1107/S1600536814008757","","","0.71073","MoKα","","0.089","0.0394","","","0.0952","0.1282","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239545","8.36521","0.00009","14.13395","0.00014","26.9223","0.0003","90","","90","","90","","3183.12","0.06","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3DBNS","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)dibenzothioamide","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C136 H144 N16 S16 -","8","1","BV2233","Nagasawa, Masayuki; Sasanuma, Yuji; Masu, Hyuma","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)dibenzothioamide","Acta Crystallographica Section E","2014","70","6","o639","","10.1107/S160053681400974X","","","1.54178","CuKα","","0.0327","0.0316","","","0.0843","0.0853","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239564","7.813","0.0003","25.6453","0.001","7.9162","0.0004","90","","90","","90","","1586.14","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Barium gallium oxynitride","Tetrabarium gallium trinitride oxide","","- Ba4 Ga N3 O -","- Ba4 Ga N3 O -","- Ba32 Ga8 N24 O8 -","8","1","HP2067","Hashimoto, Takayuki; Yamane, Hisanori","Ba~4~GaN~3~O","Acta Crystallographica Section E","2014","70","6","i28","","10.1107/S1600536814010472","","","0.71075","MoKα","","0.0476","0.0425","","","0.0959","0.099","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239598","9.606","0.0002","10.4572","0.0002","33.8766","0.0007","90","","90","","90","","3402.97","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1(2-Furoyl)piperazinium 3,5-dinitrobenzoate","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C16 H16 N4 O8 -","- C16 H16 N4 O8 -","- C128 H128 N32 O64 -","8","1","TK5314","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H.S.","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2014","70","6","o700","o701","10.1107/S160053681401126X","","","1.54184","CuKα","","0.0487","0.0427","","","0.1162","0.1225","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239616","15.922","0.003","8.0335","0.0016","18.655","0.004","90","","90","","90","","2386.1","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","0.5","","Liu, Peng; Yuan, Libin; Song, Xiuqing; Yan, Hong","Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","Acta Crystallographica Section E","2014","70","6","o723","","10.1107/S1600536814011970","","","0.71073","MoKα","","0.0411","0.0377","","","0.0961","0.0989","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239642","10.232","0.002","10.872","0.003","16.769","0.004","90","","90","","90","","1865.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyano-1-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C56 H56 Cl8 N16 O32 -","8","1","SU2740","Nguyen, Vu D.; McCormick, Cameron A.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium perchlorate","Acta Crystallographica Section E","2014","70","7","o756","o757","10.1107/S1600536814012860","","","0.71073","MoKα","","0.0382","0.0344","","","0.0923","0.0968","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239662","17.2493","0.0012","9.6046","0.0005","27.7664","0.0017","90","","90","","90","","4600.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'<i>H</i>-spiro[indoline-3,4'-pyrano[3,2-<i>c</i>][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","","- C23 H21 N5 O5 S -","- C23 H21 N5 O5 S -","- C184 H168 N40 O40 S8 -","8","1","KP2471","Shishkina, Svitlana V.; Ukrainets, Igor V.; Petrushova, Lidiya A.","(<i>R</i>,<i>S</i>)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'<i>H</i>-spiro[indoline-3,4'-pyrano[3,2-<i>c</i>][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","7","o786","o787","10.1107/S1600536814013634","","","0.71073","MoKα","","0.1483","0.0717","","","0.1661","0.1943","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239670","25.397","0.005","14.6","0.003","25.51","0.005","90","","90","","90","","9459","3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate","","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C320 H320 Cl40 Cr16 F32 N64 Na8 O32 Zn8 -","8","1","","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data","Acta Crystallographica Section E","2014","70","7","m280","","10.1107/S1600536814014408","","","0.62998","synchrotron","","0.0492","0.0471","","","0.1341","0.1361","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239673","22.173","0.0004","15.1385","0.0003","23.6954","0.0005","90","","90","","90","","7953.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate","","- C33 H40 Cl9 O3 P Ru -","- C31 H38 Cl3 O3 P Ru -","- C248 H304 Cl24 O24 P8 Ru8 -","8","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","(η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate","Acta Crystallographica Section E","2014","70","7","m272","m273","10.1107/S1600536814014081","","","1.54178","CuKα","","0.0479","0.0409","","","0.1058","0.1095","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239683","10.5832","0.0002","7.9509","0.0002","28.9259","0.0005","90","","90","","90","","2434","0.09","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Rocha, Fillipe Vieira; de Godoy Netto, Adelino Vieira; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","<i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","7","o800","","10.1107/S1600536814013889","","","0.71073","MoKα","","0.0382","0.0309","","","0.0756","0.0799","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239718","8.3545","0.0007","12.9503","0.0011","34.291","0.002","90","","90","","90","","3710.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{4-Amino-<i>N</i>'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","","- C20 H19 N3 O2 Sn -","- C20 H19 N3 O2 Sn -","- C160 H152 N24 O16 Sn8 -","8","1","CV5466","Cheng, Miao; Zhao, Yuhong; Dong, Tiantian; Cui, Jichun","{4-Amino-<i>N</i>'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","Acta Crystallographica Section E","2014","70","7","m283","","10.1107/S1600536814014652","","","0.71073","MoKα","","0.0765","0.0515","","","0.1059","0.121","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239787","7.1317","0.0005","7.3757","0.0005","29.129","0.002","90","","90","","90","","1532.22","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium trifluorido(4-fluorophenyl)borate","","- C6 H4 B F4 K -","- C6 H4 B F4 K -","- C48 H32 B8 F32 K8 -","8","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0358","0.0271","","","0.0624","0.0654","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239832","13.1231","0.0003","8.8559","0.0002","19.3702","0.0004","90","","90","","90","","2251.14","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(4-Formylbenzylidene)-4-methylthiosemicarbazone","1-[(4-formylbenzylidene)amino]-3-methylthiourea","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C80 H88 N24 O8 S8 -","8","1","","Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Crystal structure of 1-(4-formylbenzylidene)-4-methylthiosemicarbazone","Acta Crystallographica Section E","2014","70","9","o926","","10.1107/S1600536814016407","","","1.54178","CuKα","","0.0374","0.0344","","","0.0966","0.1004","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239849","11.6172","0.0006","8.4086","0.0005","30.0002","0.0016","90","","90","","90","","2930.6","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","","- C15 H11 F2 N3 O2 S -","- C15 H11 F2 N3 O2 S -","- C120 H88 F16 N24 O16 S8 -","8","1","HB7245","Firdausiah, Syadza; Salleh Huddin, Ameera Aqeela; Hasbullah, Siti Aishah; Yamin, Bohari M.; Yusoff, Siti Fairus M.","Crystal structure of 4-fluoro-<i>N</i>-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","Acta Crystallographica Section E","2014","70","9","o915","o916","10.1107/S1600536814015761","","","0.71073","MoKα","","0.0802","0.0463","","","0.0873","0.0989","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239860","14.3394","0.0012","10.0089","0.0016","29.562","0.003","90","","90","","90","","4242.8","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","","- C18 H35 N3 P2 -","- C18 H35 N3 P2 -","- C144 H280 N24 P16 -","8","1","SU0004","Stöger, Berthold; Weil, Matthias; Bichler, Bernhard; Eder, Wolfgang; Kirchner, Karl","Crystal structure of <i>N</i>,<i>N</i>'-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","Acta Crystallographica Section E","2014","70","9","o889","o890","10.1107/S1600536814010976","","","0.71073","MoKα","","0.0499","0.0311","","","0.0434","0.0457","","","","","","1.39","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2239887","5.8231","0.0003","14.3214","0.0006","21.7365","0.0008","90","","90","","90","","1812.71","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethylquinazoline-4(3<i>H</i>)-thione","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 2-ethylquinazoline-4(3<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","9","o953","","10.1107/S160053681401664X","","","0.71073","MoKα","","0.0375","0.0325","","","0.0834","0.0868","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239929","12.2857","0.0012","15.3082","0.0016","18.5241","0.0018","90","","90","","90","","3483.9","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-[(4-Chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-cyclohexylhydrazine carbothioamide","","- C17 H20 Cl N3 O S -","- C17 H20 Cl N3 O S -","- C136 H160 Cl8 N24 O8 S8 -","8","1","SU2769","Gangadharan, Rajeswari; Haribabu, Jebiti; Karvembu, Ramasamy; Sethusankar, K.","Crystal structure of (<i>E</i>)-2-[(4-chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-cyclohexylhydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","9","o1039","o1040","10.1107/S1600536814018509","","","0.71073","MoKα","","0.0836","0.0496","","","0.1297","0.1523","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239932","11.389","0.005","12.66","0.005","21.667","0.005","90","","90","","90","","3124","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","","- C14 H17 N3 O S2 -","- C14 H17 N3 O S2 -","- C112 H136 N24 O8 S16 -","8","1","SU2768","Manimaran, A.; Sethusankar, K.; Ganesan, S.; Ananthan, S.","Crystal structure of 3-methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","Acta Crystallographica Section E","2014","70","9","o1055","","10.1107/S1600536814018856","","","0.71073","MoKα","","0.0773","0.0476","","","0.128","0.1502","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239945","13.3135","0.0009","9.9581","0.0006","20.0278","0.0014","90","","90","","90","","2655.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-methoxybenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","BG2535","Taha, Muhammad; Baharudin, M. Syukri; Zaki, Hamizah Mohd; Yamin, Bohari M.; Naz, Humera","Crystal structure of (<i>E</i>)-<i>N</i>'-benzylidene-2-methoxybenzohydrazide","Acta Crystallographica Section E","2014","70","9","o1071","o1072","10.1107/S1600536814019011","","","0.71073","MoKα","","0.0593","0.0379","","","0.0866","0.1034","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239975","14.6208","0.0006","11.3324","0.0007","22.641","0.0012","90","","90","","90","","3751.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5'-[(4-Fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","","- C19 H21 F N6 O4 -","- C19 H21 F N6 O4 -","- C152 H168 F8 N48 O32 -","8","1","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","Crystal structure of 5,5'-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section E","2014","70","10","o1098","o1099","10.1107/S1600536814019886","","","0.71073","MoKα","","0.0976","0.052","","","0.1057","0.1301","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239982","13.6668","0.001","8.3356","0.0005","21.4683","0.0016","90","","90","","90","","2445.7","0.3","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","TK5341","Yamin, Bohari M.; Rodis, Monica Lulo; Chee, Dayang N. B. A","Crystal structure of 4-cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2014","70","10","o1109","","10.1107/S160053681402025X","","","0.71073","MoKα","","0.091","0.0529","","","0.1169","0.1351","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240002","15.7102","0.0005","10.7491","0.0003","24.3648","0.0007","90","","90","","90","","4114.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(1<i>H</i>-Indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C216 H152 N24 O8 -","8","1","HB7280","Vishnupriya, R.; Suresh, J.; Sakthi, Marimuthu; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 4-(1<i>H</i>-indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","10","o1120","o1121","10.1107/S1600536814020170","","","0.71073","MoKα","","0.0582","0.0387","","","0.0915","0.1039","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240071","12.6487","0.0004","7.0786","0.0002","23.72","0.0006","90","","90","","90","","2123.77","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-fluoro-cytosinium 3-hydroxypicolinate","4-Amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypicolinate","","- C10 H9 F N4 O4 -","- C10 H9 F N4 O4 -","- C80 H72 F8 N32 O32 -","8","1","TK5344","Kathikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Crystal structure of 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypyridine-2-carboxylate","Acta Crystallographica Section E","2014","70","11","328","330","10.1107/S1600536814021898","","","0.71073","MoKα","","0.0562","0.0424","","","0.1041","0.1113","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240080","15.3749","0.0006","13.1575","0.0005","19.2929","0.0009","90","","90","","90","","3902.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","1","","Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Vasanthi, R.; Usha, G.","Crystal structure of 4-methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","Acta Crystallographica Section E","2014","70","11","o1157","","10.1107/S1600536814021965","","","0.71073","MoKα","","0.1836","0.0595","","","0.1234","0.1716","","","","","","0.925","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240086","13.2789","0.0012","14.6329","0.0014","24.278","0.002","90","","90","","90","","4717.4","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate","","- C20 H34 Cd N2 O10 -","- C20 H34 Cd N2 O10 -","- C160 H272 Cd8 N16 O80 -","8","1","WM5070","Li, Ya-Ping; Han, Li-Ying; Ming, Julia; Su, Guan-Fang","Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate","Acta Crystallographica Section E","2014","70","11","m371","","10.1107/S1600536814022375","","","0.71073","MoKα","","0.0828","0.0373","","","0.0801","0.0985","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240101","8.9363","0.0006","13.237","0.0008","16.481","0.0014","90","","90","","90","","1949.5","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","","- C4 H32 N2 Ni O16 S2 -","- C4 H32 N2 Ni O16 S2 -","- C16 H128 N8 Ni4 O64 S8 -","4","0.5","WM5074","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2014","70","11","403","405","10.1107/S160053681402234X","","","0.71073","MoKα","","0.1164","0.0402","","","0.0907","0.1232","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240133","16.367","0.0004","10.5512","0.0003","16.6153","0.0004","90","","90","","90","","2869.32","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3-Ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","","Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.","Crystal structure of (2<i>E</i>)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1202","o1203","10.1107/S1600536814023368","","","0.71073","MoKα","","0.0756","0.0575","","","0.1817","0.2145","","","","","","0.724","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240194","20.034","0.004","13.057","0.003","24.979","0.005","90","","90","","90","","6534","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)] tetranitrate tetrahydrate]","","- C50 H78 Cu2 N24 O16 -","- C50 H78 Cu2 N22 O10 -","- C200 H312 Cu8 N88 O40 -","4","0.5","","Wu, Fayuan; Shang, Mengxiang; Li, Shihua; Zhao, Yu","Crystal structure of a Cu^II^ complex with a bridging ligand: poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)] tetranitrate tetrahydrate]","Acta Crystallographica Section E","2014","70","12","503","506","10.1107/S1600536814024477","","","0.71073","MoKα","","0.1151","0.0601","","","0.1446","0.1724","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240224","14.1161","0.0009","18.0874","0.0012","23.1986","0.0016","90","","90","","90","","5923.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis[2-(diphenylphosphinothioyl)phenyl] ether","{2-[2-(Diphenylphosphinothioyl)phenoxy]phenyl}diphenylphosphanethione","","- C36 H28 O P2 S2 -","- C36 H28 O P2 S2 -","- C288 H224 O8 P16 S16 -","8","1","","Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.","Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether","Acta Crystallographica Section E","2014","70","12","536","540","10.1107/S1600536814023988","","","0.71075","MoKα","","0.065","0.0453","","","0.094","0.1012","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240255","10.5646","0.0006","18.798","0.0011","26.9782","0.0016","90","","90","","90","","5357.7","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-1-(4-methylbenzyl)pyridinium bromide","","- C13 H15 Br N2 -","- C13 H15 Br N2 -","- C208 H240 Br16 N32 -","16","2","","Sharmila, N.; Sundar, T. V.; Yasodha, A.; Puratchikody, A.; Sridhar, B.","Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide","Acta Crystallographica Section E","2014","70","12","o1293","o1294","10.1107/S1600536814025343","","","0.71073","MoKα","","0.0794","0.0386","","","0.0925","0.1096","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240264","8.2937","0.0001","17.4137","0.0003","26.9626","0.0004","90","","90","","90","","3894.05","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Amino-1-propylpyridinium bromide","","- C8 H13 Br N2 -","- C8 H13 Br N2 -","- C128 H208 Br16 N32 -","16","2","SU5025","Venkatesan, P.; Rajakannan, V.; Thamotharan, S.","Crystal structure of 3-amino-1-propylpyridinium bromide","Acta Crystallographica Section E","2014","70","12","580","583","10.1107/S1600536814025665","","","0.71073","MoKα","","0.0851","0.0364","","","0.0723","0.0854","","","","","","1.003","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240312","12.4554","0.0006","8.2204","0.0004","30.6681","0.0017","90","","90","","90","","3140.1","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","HB7328","Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one","Acta Crystallographica Section E","2015","71","1","o24","o25","10.1107/S2056989014026292","","","0.71073","MoKα","","0.0718","0.0429","","","0.0963","0.1109","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240328","20.354","0.005","7.534","0.005","21.801","0.005","90","0.005","90","0.005","90","0.005","3343","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","DQMBD","<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","HG5416","Faizi, Md. Serajul Haque; Siddiqui, Nazia; Javed, Saleem","Crystal structure of <i>N</i>^1^,<i>N</i>^1^-diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2015","71","1","o49","o50","10.1107/S2056989014027108","","","0.71073","MoKα","","0.1322","0.0839","","","0.1725","0.1952","","","","","","1.093","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240362","13.0731","0.0006","14.7989","0.0008","17.3092","0.0011","90","","90","","90","","3348.8","0.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis(thiocyanato-κ<i>N</i>)nickel(II)‒2,5-dimethylpyrazine (1/4)","","- C26 H40 N10 Ni O4 S2 -","- C26 H40 N10 Ni O4 S2 -","- C104 H160 N40 Ni4 O16 S8 -","4","0.5","PK2540","Suckert, Stefan; Wriedt, Mario; Jess, Inke; Näther, Christian","Crystal structure of tetraaquabis(thiocyanato-κ<i>N</i>)nickel(II)‒2,5-dimethylpyrazine (1/4)","Acta Crystallographica Section E","2015","71","2","m18","","10.1107/S2056989014026991","","","0.71073","MoKα","","0.0506","0.0361","","","0.0921","0.1001","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240367","7.1921","0.0005","18.072","0.003","24.093","0.004","90","","90","","90","","3131.5","0.8","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline","","- C18 H10 Cl2 N4 -","- C18 H10 Cl2 N4 -","- C144 H80 Cl16 N32 -","8","1","","Crundwell, Guy; Glagovich, Neil M.; King, Melissa E.","6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline","Acta Crystallographica Section E","2015","71","2","o107","","10.1107/S2056989015000055","","","0.71073","MoKα","","0.0608","0.034","","","0.0825","0.0858","","","","","","0.902","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240414","19.299","0.0007","9.5345","0.0003","24.2188","0.0007","90","","90","","90","","4456.4","0.2","100","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2<i>H</i>-1,3-Benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","","- C25 H22 F3 N O5 -","- C25 H22 F3 N O5 -","- C200 H176 F24 N8 O40 -","8","1","","Roberts, Sue A.; Martinez-Ariza, Guillermo; Hulme, Christopher","Crystal structures of <i>N</i>-<i>tert</i>-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","Acta Crystallographica Section E","2015","71","2","199","202","10.1107/S2056989015000936","","","0.71073","MoKα","","0.0431","0.035","","","0.0806","0.0858","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240473","8.975","0.005","13.268","0.005","16.528","0.005","90","","90","","90","","1968.2","1.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","","- C4 H32 Co N2 O16 S2 -","- C4 H32 Co N2 O16 S2 -","- C16 H128 Co4 N8 O64 S8 -","4","0.5","FK2085","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2015","71","4","m77","m78","10.1107/S2056989015003400","","","0.71073","MoKα","","0.1203","0.0393","","","0.0878","0.1109","","","","","","0.975","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240476","15.5868","0.0005","14.6323","0.0004","17.0439","0.0006","90","","90","","90","","3887.2","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate","","- C19 H26 Br N3 O -","- C19 H26 Br N3 O -","- C152 H208 Br8 N24 O8 -","8","1","RZ5148","Quo, Qi; Yang, Liangru; Mao, Pu; Xiao, Yongmei; Yuan, Jinwei","Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate","Acta Crystallographica Section E","2015","71","4","o224","","10.1107/S2056989015003989","","","0.7107","MoKα","","0.0923","0.0509","","","0.1152","0.1341","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240497","12.476","0.005","11.741","0.005","20.313","0.007","90","","90","","90","","2975","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate","","- C8 H15 Fe N3 O8 S -","- C8 H15 Fe N3 O8 S -","- C64 H120 Fe8 N24 O64 S8 -","8","1","WM5132","Setifi, Zouaoui; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Merazig, Hocine","Crystal structure of tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate","Acta Crystallographica Section E","2015","71","4","346","349","10.1107/S2056989015004417","","","0.71073","MoKα","","0.0682","0.0362","","","0.0799","0.0912","","","","","","1.081","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240518","11.2453","0.0003","10.5272","0.0003","17.5339","0.0006","90","","90","","90","","2075.69","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-<i>N</i>-(pyridin-3-yl)propanamide","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C80 H112 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2,2-dimethyl-<i>N</i>-(pyridin-3-yl)propanamide","Acta Crystallographica Section E","2015","71","4","o246","o247","10.1107/S2056989015005289","","","1.54184","CuKα","","0.0488","0.0411","","","0.119","0.1273","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240553","12.9474","0.0018","9.066","0.0013","19.583","0.003","90","","90","","90","","2298.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(5-methylsalicylidene)aniline","2-{(<i>E</i>)-[(2-Hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","HB7370","Shalini, Suresh; Girija, C. R.; Jotani, Mukesh M.; Sathish, C. D.; Venkatesha, T. V.","Crystal structure of 2-{(<i>E</i>)-[(2-hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate","Acta Crystallographica Section E","2015","71","5","o288","","10.1107/S2056989015006374","","","0.71073","MoKα","","0.0805","0.0498","","","0.1113","0.1298","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240587","15.192","0.0003","11.98641","0.00019","19.0307","0.0003","90","","90","","90","","3465.44","0.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Methyl 5-bromo-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate","","- C19 H15 Br Cl N O3 -","- C19 H15 Br Cl N O3 -","- C152 H120 Br8 Cl8 N8 O24 -","8","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0383","0.0343","","","0.0902","0.0933","","","","","","1.056","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240602","11.2629","0.0011","13.2117","0.0011","24.041","0.003","90","","90","","90","","3577.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","SU5106","Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-(4-isopropylphenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate, methyl 1-methyl-3-(<i>o</i>-tolyl)-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate and methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2015","71","6","574","577","10.1107/S2056989015008063","","","0.71073","MoKα","","0.0619","0.0457","","","0.0985","0.1108","","","","","","1.122","","","","has coordinates,has Fobs","136394","2020-10-21","18:00:00",""
"2240623","11.738","0.0002","14.4453","0.0003","19.9515","0.0003","90","","90","","90","","3382.96","0.1","173","2","172.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one","","- C20 H16 Cl O2 P -","- C20 H16 Cl O2 P -","- C160 H128 Cl8 O16 P8 -","8","1","SU5111","Leach, Erin G.; Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of 1-(4-chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one and 1-(diphenylphosphoryl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section E","2015","71","5","523","527","10.1107/S2056989015006994","","","1.54178","CuKα","","0.0379","0.0322","","","0.0856","0.0894","","","","","","1.039","","","","has coordinates,has Fobs","136415","2020-10-21","18:00:00",""
"2240651","10.6386","0.0015","7.3948","0.001","30.554","0.004","90","","90","","90","","2403.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[4-(1<i>H</i>-pyrrol-1-yl)phenyl] ferrocene-1,1'-dicarboxylate","","- C32 H24 Fe N2 O4 -","- C32 H24 Fe N2 O4 -","- C128 H96 Fe4 N8 O16 -","4","0.5","BG2552","Pérez, Wanda I.; Rheingold, Arnold L.; Meléndez, Enrique","Crystal structure of bis[4-(1<i>H</i>-pyrrol-1-yl)phenyl] ferrocene-1,1'-dicarboxylate: a potential chemotherapeutic drug","Acta Crystallographica Section E","2015","71","5","536","539","10.1107/S2056989015007446","","","0.71073","MoKα","","0.0651","0.0441","","","0.1049","0.1166","","","","","","1.015","","","","has coordinates,has Fobs","136441","2020-10-21","18:00:00",""
"2240723","16.981","0.004","8.1081","0.0017","41.66","0.009","90","","90","","90","","5736","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(<i>E</i>)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-4-phenyl-1,3-thiazole","","- C16 H12 Cl N3 S -","- C16 H12 Cl N3 S -","- C256 H192 Cl16 N48 S16 -","16","2","XU5803","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of 2-[(<i>E</i>)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2014","70","9","o907","o908","10.1107/S1600536814016298","","","0.71073","MoKα","","0.067","0.0441","","","0.0949","0.1092","","","","","","1.039","","","","has coordinates,has Fobs","136882","2020-10-21","18:00:00",""
"2240733","8.7195","0.0017","9.9454","0.0019","23.389","0.004","90","","90","","90","","2028.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole","","- C13 H8 F2 N2 -","- C13 H8 F2 N2 -","- C104 H64 F16 N16 -","8","1","LH5659","Krishnamurthy, M. S.; Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","11","o1689","","10.1107/S1600536813028559","","","0.71073","MoKα","","0.095","0.0593","","","0.1422","0.1558","","","","","","1.009","","","","has coordinates,has Fobs","136894","2020-10-21","18:00:00",""
"2240738","9.2302","0.0004","9.85","0.0004","23.1347","0.0009","90","","90","","90","","2103.35","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole","","- C13 H8 Cl F N2 -","- C13 H8 Cl F N2 -","- C104 H64 Cl8 F8 N16 -","8","1","HB7406","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of 2-(4-chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2015","71","6","o387","o388","10.1107/S2056989015008683","","","0.71073","MoKα","","0.0454","0.0376","","","0.0983","0.1023","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","136900","2020-10-21","18:00:00",""
"2240742","7.3386","0.0007","14.9133","0.0011","24.3322","0.0018","90","","90","","90","","2663","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3,4-Dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","GK2634","Salim, Muhammad; Tahir, Muhammad Nawaz; Shahid, Muhammad; Munawar, Munawar Ali","Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o413","","10.1107/S2056989015009299","","","0.71073","MoKα","","0.0955","0.0481","","","0.1169","0.1438","","","","","","1.019","","","","has coordinates,has Fobs","137006","2020-10-21","18:00:00",""
"2240845","4.8846","0.0002","10.7002","0.0004","29.5666","0.0011","90","","90","","90","","1545.33","0.1","198","2","198.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4,4'-(But-2-ene-1,4-diyl)bis(2-methoxyphenol)","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Knight, Kyle S.; Carey, Patrick J.","Crystal structure of (<i>E</i>)-4,4'-(but-2-ene-1,4-diyl)bis(2-methoxyphenol)","Acta Crystallographica Section E","2015","71","7","o500","","10.1107/S2056989015011585","","","0.71073","MoKα","","0.0383","0.0334","","","0.0903","0.0956","","","","","","1.052","","","","has coordinates,has Fobs","139439","2020-10-21","18:00:00",""
"2240857","8.482961","0.000014","10.56617","0.000017","13.83195","0.00003","90","","90","","90","","1239.79","0.004","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","sodium molybdate dihydrate","Disodium molybdenum(VI) oxide dihydrate","","- D4 Mo Na2 O6 -","- D4 Mo Na2 O6 -","- D32 Mo8 Na16 O48 -","8","1","WM5172","Fortes, A. Dominic","Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction","Acta Crystallographica Section E","2015","71","7","799","806","10.1107/S2056989015011354","powder diffraction","","","neutron","","","","","","","","","","1.88","","","","","","","has coordinates","139451","2020-10-21","18:00:00",""
"2240858","8.482514","0.000015","10.595156","0.000019","13.8564","0.00003","90","","90","","90","","1245.32","0.004","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","sodium tungstate dihydrate","Disodium tungsten(VI) oxide dihydrate","","- D4 Na2 O6 W -","- D4 Na2 O6 W -","- D32 Na16 O48 W8 -","8","1","WM5172","Fortes, A. Dominic","Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction","Acta Crystallographica Section E","2015","71","7","799","806","10.1107/S2056989015011354","powder diffraction","","","neutron","","","","","","","","","","1.82","","","","","","","has coordinates","139451","2020-10-21","18:00:00",""
"2240893","15.011","0.004","6.1354","0.0018","16.543","0.005","90","","90","","90","","1523.6","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Hydroxymethyl-2-methoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","TK5370","Hassan, Mubashir; Ashraf, Zaman; Seo, Sung-Yum; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of 5-hydroxymethyl-2-methoxyphenol","Acta Crystallographica Section E","2015","71","8","o540","o541","10.1107/S205698901501230X","","","0.71073","MoKα","","0.0618","0.0511","","","","0.1487","","","","","","1.072","","","","has coordinates,has Fobs","139969","2020-10-21","18:00:00",""
"2240895","12.1585","0.0005","8.6721","0.0004","32.6152","0.0012","90","","90","","90","","3438.9","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pencycuron","1-(4-Chlorobenzyl)-1-cyclopentyl-3-phenylurea","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C152 H168 Cl8 N16 O8 -","8","1","HB7456","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of pencycuron","Acta Crystallographica Section E","2015","71","8","o532","","10.1107/S2056989015012414","","","0.71073","MoKα","","0.0512","0.0372","","","0.0889","0.0946","","","","","","1.037","","","","has coordinates,has Fobs","139971","2020-10-21","18:00:00",""
"2240905","7.6702","0.0001","12.6492","0.0003","22.9821","0.0005","90","","90","","90","","2229.77","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2-(2-methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","8","o562","o563","10.1107/S2056989015012797","","","1.54184","CuKα","","0.0401","0.035","","","0.0995","0.1056","","","","","","1.025","","","","has coordinates,has Fobs","140989","2020-10-21","18:00:00",""
"2240934","11.2225","0.0003","14.8991","0.0004","17.2727","0.0005","90","","90","","90","","2888.08","0.14","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ferrocenylmethyl)dimethylammonium hydrogen oxalate","","- C15 H19 Fe N O4 -","- C15 H19 Fe N O4 -","- C120 H152 Fe8 N8 O32 -","8","1","WM5182","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of (ferrocenylmethyl)dimethylammonium hydrogen oxalate","Acta Crystallographica Section E","2015","71","8","947","949","10.1107/S205698901501333X","","","1.34139","GaKα","","0.0239","0.0223","","","0.0607","0.062","","","","","","1.032","","","","has coordinates,has Fobs","152268","2020-10-21","18:00:00",""
"2240948","10.4087","0.0018","8.5848","0.0015","13.095","0.002","90","","90","","90","","1170.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-Dimethylmaleic anhydride","3,4-Dimethylfuran-2,5-dione","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","1","ZS2339","Wiscons, Ren A.; Zeller, Matthias; Rowsell, Jesse L. C.","Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction","Acta Crystallographica Section E","2015","71","8","950","955","10.1107/S2056989015013419","","","0.71073","MoKα","","0.0406","0.0371","","","0.0982","0.1013","","","","","","1.073","","","","has coordinates,has Fobs","152449","2020-10-21","18:00:00",""
"2240949","10.0676","0.0002","8.0279","0.0001","40.9129","0.0007","90","","90","","90","","3306.65","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pyriproxyfen","4-Phenoxyphenyl (<i>RS</i>)-2-[(pyridin-2-yl)oxy]propyl ether","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","HB7462","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of pyriproxyfen","Acta Crystallographica Section E","2015","71","8","o588","","10.1107/S2056989015013481","","","0.71073","MoKα","","0.0739","0.0556","","","0.14","0.1481","","","","","","1.04","","","","has coordinates,has Fobs","152450","2020-10-21","18:00:00",""
"2240950","9.8184","0.0002","11.3286","0.0003","18.9569","0.0005","90","","90","","90","","2108.55","0.09","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metobromuron","3-(4-Bromophenyl)-1-methoxy-1-methylurea","","- C9 H11 Br N2 O2 -","- C9 H11 Br N2 O2 -","- C72 H88 Br8 N16 O16 -","8","1","HG5451","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of metobromuron","Acta Crystallographica Section E","2015","71","8","o589","","10.1107/S205698901501347X","","","0.71073","MoKα","","0.0466","0.029","","","0.0603","0.0663","","","","","","1.033","","","","has coordinates,has Fobs","152451","2020-10-21","18:00:00",""
"2240965","14.0714","0.0006","12.1888","0.0004","21.3543","0.0007","90","","90","","90","","3662.6","0.2","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(acetylacetonato)dichloridodi-μ~3~-methanolato-tetra-μ~2~-methanolato-tetrairon(III)","","- C26 H46 Cl2 Fe4 O14 -","- C26 H46 Cl2 Fe4 O14 -","- C104 H184 Cl8 Fe16 O56 -","4","0.5","CV5491","Richers, Casseday P.; Bertke, Jeffery A.; Gray, Danielle L.; Rauchfuss, Thomas B.","Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ~3~-methanolato-tetra-μ~2~-methanolato-tetrairon(III)","Acta Crystallographica Section E","2015","71","8","976","979","10.1107/S2056989015013535","","","0.71073","MoKα","","0.04","0.0282","","","0.0658","0.0699","","","","","","1.044","","","","has coordinates,has Fobs","153022","2020-10-21","18:00:00",""
"2240966","13.4231","0.0004","8.9892","0.0003","18.8407","0.0006","90","","90","","90","","2273.37","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","7,8-Benzocoumarin-4-acetic acid","2-(2-Oxo-2<i>H</i>-benzo[<i>h</i>]chromen-4-yl)acetic acid","","- C15 H10 O4 -","- C15 H10 O4 -","- C120 H80 O32 -","8","1","","Swamy, R. Ranga; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha","Crystal structure of 7,8-benzocoumarin-4-acetic acid","Acta Crystallographica Section E","2015","71","8","o617","o618","10.1107/S2056989015014103","","","0.71073","MoKα","","0.082","0.0441","","","0.1018","0.1375","","","","","","1.148","","","","has coordinates,has Fobs","153023","2020-10-21","18:00:00",""
"2240995","7.3112","0.0004","16.0793","0.0009","22.8994","0.0013","90","","90","","90","","2692","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(<i>E</i>)-(3,4-Dimethoxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C12 H14 N4 O2 S -","- C12 H14 N4 O2 S -","- C96 H112 N32 O16 S8 -","8","1","HB7466","Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher","The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","9","1003","1009","10.1107/S205698901501422X","","","0.71073","MoKα","","0.0848","0.0565","","","0.1124","0.1232","","","","","","1.081","","","","has coordinates,has Fobs","153381","2020-10-21","18:00:00",""
"2241031","11.3441","0.0006","10.3047","0.0006","20.6397","0.0011","90","","90","","90","","2412.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-[3-(trifluoromethyl)phenyl]acetamide","","- C9 H5 Br3 F3 N O -","- C9 H5 Br3 F3 N O -","- C72 H40 Br24 F24 N8 O8 -","8","1","HB7472","Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.","Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides","Acta Crystallographica Section E","2015","71","9","1048","1053","10.1107/S2056989015015248","","","1.54178","CuKα","","0.0398","0.0395","","","0.1016","0.102","","","","","","1.219","","","","has coordinates,has Fobs","153592","2020-10-21","18:00:00",""
"2241035","13.078","0.0012","7.2354","0.0007","22.262","0.002","90","","90","","90","","2106.5","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Methyl 2-(7-hydroxy-2-oxo-2<i>H</i>-chromen-4-yl)acetate","","- C12 H10 O5 -","- C12 H10 O5 -","- C96 H80 O40 -","8","1","HB7469","Yousuf, Sammer; Hussain, Shafqat; Khan, Khalid Mohammed; Shabeer, Muhammad; Perveen, Shahnaz","Crystal structure of methyl 2-(7-hydroxy-2-oxo-2<i>H</i>-chromen-4-yl)acetate","Acta Crystallographica Section E","2015","71","9","o677","o678","10.1107/S2056989015014061","","","0.71073","MoKα","","0.0434","0.037","","","0.0972","0.104","","","","","","1.026","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241048","10.7068","0.0003","17.875","0.0004","28.1694","0.0007","90","","90","","90","","5391.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C256 H296 N8 O32 -","8","1","SU5190","Sureshbabu, N.; Sughanya, V.","Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2015","71","9","o688","o689","10.1107/S2056989015014966","","","0.71073","MoKα","","0.0793","0.042","","","0.0986","0.1191","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241072","5.964","0.004","9.51","0.006","26.192","0.016","90","","90","","90","","1485.5","1.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,6-Dichloro-4-nitropyridine <i>N</i>-oxide","","- C5 H2 Cl2 N2 O3 -","- C5 H2 Cl2 N2 O3 -","- C40 H16 Cl16 N16 O24 -","8","1","TK5385","Prichard, Andrew M.; Lynch, Will E.; Padgett, Clifford W.","Crystal structure of 2,6-dichloro-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section E","2015","71","10","o775","","10.1107/S2056989015017387","","","0.71073","MoKα","","0.0374","0.0322","","","0.0752","0.0781","","","","","","1.092","","","","has coordinates,has Fobs","158326","2020-10-21","18:00:00",""
"2241110","7.4131","0.0005","18.8596","0.0013","19.0166","0.0013","90","","90","","90","","2658.7","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","1","XU5867","Ahamed, P. Kaleel; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R. V.","Crystal structure of 2-hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","Acta Crystallographica Section E","2015","71","10","o715","o716","10.1107/S2056989015016126","","","0.71073","MoKα","","0.0491","0.0451","","","0.1156","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","158363","2020-10-21","18:00:00",""
"2241124","14.501","0.005","22.898","0.005","12.468","0.004","90","","90","","90","","4140","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,5-Diethyl-3',5'-diphenyl-1,5-dihydro-3'<i>H</i>-spiro[pyrazolo[3,4-<i>d</i>]pyrimidine-4,2'-[1,3,4]thiadiazole]","","- C22 H22 N6 S -","- C22 H22 N6 S -","- C176 H176 N48 S8 -","8","1","TK5387","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1,5-diethyl-3',5'-diphenyl-1,5-dihydro-3'<i>H</i>-spiro[pyrazolo[3,4-<i>d</i>]pyrimidine-4,2'-[1,3,4]thiadiazole]","Acta Crystallographica Section E","2015","71","10","o769","o770","10.1107/S2056989015017405","","","0.71073","MoKα","","0.0951","0.0478","","","0.1133","0.1377","","","","","","1.001","","","","has coordinates,has Fobs","158375","2020-10-21","18:00:00",""
"2241134","8.9642","0.0008","17.6283","0.0016","26.976","0.003","90","","90","","90","","4262.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>η^6^</i>-<i>p</i>-Cymene)(3-amino-2-phenylazopyridine)\ chloridoruthenium(II) chloride","","- C21 H24 Cl2 N4 Ru -","- C21 H24 Cl2 N4 Ru -","- C168 H192 Cl16 N32 Ru8 -","8","1","ZQ2235","Hansongnern, Kanidtha; Sansook, Supojjanee; Romin, Thassani; Nimthong Roldan, Arunpatcha; Pakawatchai, Chaveng","Crystal structure of (<i>{η</i>^6^}-<i>p</i>-cymene)(3-amino-2-phenylazopyridine)chloridoruthenium(II) chloride","Acta Crystallographica Section E","2015","71","10","m185","m186","10.1107/S2056989015017466","","","0.71073","MoKα","","0.0927","0.074","","","0.1283","0.1362","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","158384","2020-10-21","18:00:00",""
"2241135","16.6046","0.0008","15.5955","0.0007","23.2786","0.0012","90","","90","","90","","6028.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)","","- C24 H26 F12 N4 Ru Sb2 -","- C24 H26 F12 N4 Ru Sb2 -","- C192 H208 F96 N32 Ru8 Sb16 -","8","1","IS5413","Sollert, Carina; Orthaber, Andreas; Pilarski, Lukasz T.","Crystal structure of acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)","Acta Crystallographica Section E","2015","71","10","1190","1192","10.1107/S2056989015016710","","","0.71073","MoKα","","0.0575","0.0334","","","0.0653","0.074","","","","","","1.011","","","","has coordinates,has Fobs","158385","2020-10-21","18:00:00",""
"2241241","11.0299","0.0002","14.1131","0.0002","20.2211","0.0003","90","","90","","90","","3147.74","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","RZ5174","Karrouchi, Khalid; Ansar, M'hammed; Radi, Smaail; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>'-diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide","Acta Crystallographica Section E","2015","71","11","o890","o891","10.1107/S2056989015020071","","","0.71073","MoKα","","0.0567","0.0467","","","0.1274","0.1362","","","","","","1.041","","","","has coordinates,has Fobs","169834","2020-10-21","18:00:00",""
"2241259","13.4419","0.0007","7.4576","0.0004","17.7662","0.0009","90","","90","","90","","1780.96","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[[4-(2-aminoethyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^4^](azido-κ<i>N</i>^1^)copper(II)]","","- C12 H18 Cu2 N12 O4 -","- C12 H18 Cu2 N12 O4 -","- C48 H72 Cu8 N48 O16 -","4","0.5","ZL2645","Liu, Chen; Abboud, Khalil A.","Crystal structures of μ-oxalato-bis[azido(histamine)copper(II)] and μ-oxalato-bis[(dicyanamido)(histamine)copper(II)]","Acta Crystallographica Section E","2015","71","11","1379","1383","10.1107/S2056989015019908","","","0.71073","MoKα","","0.031","0.0256","","","0.0674","0.0695","","","","","","1.076","","","","has coordinates,has Fobs","169849","2020-10-21","18:00:00",""
"2241295","18.758","0.003","15.769","0.002","27.157","0.004","90","","90","","90","","8033","2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)","","- C42 H40 Cl4 Co O2 P2 -","- C42 H40 Cl4 Co O2 P2 -","- C336 H320 Cl32 Co8 O16 P16 -","8","1","WM5224","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","12","m209","m210","10.1107/S2056989015019180","","","0.71073","MoKα","","0.0509","0.0384","","","0.09","0.0972","","","","","","1.061","","","","has coordinates,has Fobs","170177","2020-10-21","18:00:00",""
"2241334","11.9129","0.0005","9.6914","0.0004","27.822","0.0011","90","","90","","90","","3212.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C144 H152 N24 S8 -","8","1","HB7536","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Aziz, Ahmed T. Abdel-; Albayati, Mustafa R.","Crystal structure of 3-benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea","Acta Crystallographica Section E","2015","71","12","o974","o975","10.1107/S2056989015021064","","","1.54178","CuKα","","0.0398","0.0345","","","0.093","0.0979","","","","","","1.058","","","","has coordinates,has Fobs","170452","2020-10-21","18:00:00",""
"2241392","8.7477","0.0004","13.8218","0.0007","26.6422","0.0013","90","","90","","90","","3221.3","0.3","120","2","120.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C128 H160 O48 -","16","2","FF2145","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 3,4-dimethoxyphenol","Acta Crystallographica Section E","2015","71","12","o1019","","10.1107/S2056989015022860","","","0.71073","MoKα","","0.0514","0.0423","","","0.1095","0.1156","","","","","","1.042","","","","has coordinates,has Fobs","171474","2020-10-21","18:00:00",""
"2241408","13.8558","0.0003","15.4983","0.0004","16.1108","0.0004","90","","90","","90","","3459.65","0.14","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{Bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)","","- C16 H14 Cl2 Hg N4 S -","- C16 H14 Cl2 Hg N4 S -","- C128 H112 Cl16 Hg8 N32 S8 -","8","1","IM2475","Bouchouit, Mehdi; Benzerka, Saida; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane","Crystal structure of {bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)","Acta Crystallographica Section E","2015","71","12","m253","m254","10.1107/S205698901502349X","","","0.71073","MoKα","","0.0345","0.0202","","","0.041","0.0455","","","","","","1.007","","","","has coordinates,has Fobs","171500","2020-10-21","18:00:00",""
"2241418","12.317","0.002","12.289","0.002","14.44","0.002","90","","90","","90","","2185.7","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-\ κ<i>N</i>^1^)dichloridodicadmium]","","- C12 H26 Cd2 Cl6 N4 -","- C12 H26 Cd2 Cl6 N4 -","- C48 H104 Cd8 Cl24 N16 -","4","0.5","WM5244","Yan, Jing-Jing; Pan, Qi-Jian; Chen, Li-Zhuang","Crystal structure of di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-κ<i>N</i>^1^)dichloridodicadmium]","Acta Crystallographica Section E","2015","71","12","m259","m260","10.1107/S2056989015023361","","","0.71073","MoKα","","0.0582","0.0542","","","0.1801","0.1829","","","","","","1.122","","","","has coordinates,has Fobs","171510","2020-10-21","18:00:00",""
"2241419","10.997","0.002","7.7489","0.0009","27.852","0.004","90","","90","","90","","2373.4","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(3a<i>R</i>,4<i>S</i>,5<i>S</i>,6a<i>S</i>)-4-Methyl-5-phenylhexahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4,5-diol","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1808","0.0945","","","0.126","0.1482","","","","","","1.091","","","","has coordinates,has Fobs","176630","2020-10-21","18:00:00",""
"2241428","14.6408","0.0016","12.9891","0.0014","16.819","0.0018","90","","90","","90","","3198.5","0.6","193","2","193.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[chloridobis(tri-<i>tert</i>-butylphosphane)zinc]","","- C24 H54 Cl4 P2 Zn2 -","- C24 H54 Cl4 P2 Zn2 -","- C96 H216 Cl16 P8 Zn8 -","4","0.5","PK2569","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","0.71073","MoKα","","0.101","0.0449","","","0.0797","0.0985","","","","","","1.003","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241437","7.568","0.005","8.879","0.005","19.168","0.005","90","","90","","90","","1288","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-cobalt(II)]","","- C6 H10 Cl2 Co2 O10 -","- C6 H10 Cl2 Co2 O10 -","- C24 H40 Cl8 Co8 O40 -","4","0.5","WM5235","Bouaoud, Yasmina; Setifi, Zouaoui; Buvailo, Andrii; Potaskalov, Vadim A.; Merazig, Hocine; Dénés, Georges","Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-dicobalt(II)]","Acta Crystallographica Section E","2016","72","1","21","24","10.1107/S2056989015023269","","","0.71073","MoKα","","0.0711","0.0459","","","0.1057","0.1159","","","","","","1.053","","","","has coordinates,has Fobs","176651","2020-10-21","18:00:00",""
"2241438","14.2425","0.0003","15.4113","0.0003","16.8537","0.0003","90","","90","","90","","3699.31","0.12","100","2","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide","","- C10 H32 I N5 Zr -","- C10 H32 I N5 Zr -","- C80 H256 I8 N40 Zr8 -","8","1","PK2563","Clark, Wesley D.; Akurathi, Gopalakrishna; Valle, Henry U.; Hollis, T. Keith","Crystal structure of tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide","Acta Crystallographica Section E","2016","72","1","73","75","10.1107/S2056989015023919","","","0.71073","MoKα","","0.0173","0.0146","","","0.0351","0.0363","","","","","","1.067","","","","has coordinates,has Fobs","176653","2020-10-21","18:00:00",""
"2241480","13.3524","0.0005","11.3802","0.0003","27.4261","0.0014","90","","90","","90","","4167.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide","","- C15 H33 Br2 N3 O Si -","- C15 H33 Br2 N3 O Si -","- C120 H264 Br16 N24 O8 Si8 -","8","1","FF2146","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","Crystal structure of 2-bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide","Acta Crystallographica Section E","2015","71","12","o1061","o1062","10.1107/S205698901502383X","","","0.71073","MoKα","","0.1058","0.0607","","","0.0901","0.0988","","","","","","1.174","","","","has coordinates","174729","2020-10-21","18:00:00",""
"2241503","10.1709","0.0004","8.4461","0.0003","21.5569","0.0009","90","","90","","90","","1851.83","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Piperazine-1,4-diium bis(4-aminobenzenesulfonate)","","- C16 H24 N4 O6 S2 -","- C16 H24 N4 O6 S2 -","- C64 H96 N16 O24 S8 -","4","0.5","SU5262","Kumar, K. Sathesh; Ranjith, S.; Sudhakar, S.; Srinivasan, P.; Ponnuswamy, M. N.","Crystal structure of piperazine-1,4-diium bis(4-aminobenzenesulfonate)","Acta Crystallographica Section E","2015","71","12","o1084","o1085","10.1107/S2056989015024457","","","0.71073","MoKα","","0.056","0.0384","","","0.0933","0.1068","","","","","","1.031","","","","has coordinates,has Fobs","174756","2020-10-21","18:00:00",""
"2241505","10.231","0.005","7.584","0.003","41.816","0.018","90","","90","","90","","3245","2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime","(1<i>Z</i>,2<i>E</i>)-3-phenylprop-2-enal oxime","","- C9 H9 N O -","- C9 H9 N O -","- C144 H144 N16 O16 -","16","2","SU5260","Bugenhagen, Bernhard; Al Soom, Nuha; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime","Acta Crystallographica Section E","2015","71","12","o1063","o1064","10.1107/S2056989015023853","","","0.71073","MoKα","","0.0451","0.043","","","0.1118","0.1132","","","","","","1.096","","","","has coordinates,has Fobs","174758","2020-10-21","18:00:00",""
"2241507","14.5166","0.0017","15.9102","0.0018","16.0527","0.0018","90","","90","","90","","3707.6","0.7","120","2","119.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Diethylamino)phenol","","- C10 H15 N O -","- C10 H15 N O -","- C160 H240 N16 O16 -","16","2","FF2147","Golen, James A.; McDonald, Kyle J.; Manke, David R.","Crystal structure of 3-(diethylamino)phenol","Acta Crystallographica Section E","2015","71","12","o1075","","10.1107/S2056989015024226","","","1.54178","CuKα","","0.0603","0.0423","","","0.0972","0.1069","","","","","","1.021","","","","has coordinates,has Fobs","174760","2020-10-21","18:00:00",""
"2241514","15.263","0.016","7.745","0.008","20.41","0.02","90","","90","","90","","2413","4","273","","273","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Bromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H12 Br N -","- C14 H12 Br N -","- C112 H96 Br8 N8 -","8","1","","Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","Crystal structure of 3-bromo-9-ethyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2015","71","12","o1067","o1068","10.1107/S2056989015023907","","","0.71075","MoKα","","","0.0779","","","","0.2364","","","","","","1.054","","","","has coordinates,has Fobs","174767","2020-10-21","18:00:00",""
"2241524","13.469","0.003","13.48","0.003","13.442","0.002","90","","90","","90","","2440.6","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium nickel silicon oxide","Dirubidium nickel(II) pentasilicate","","- Ni O12 Rb2 Si5 -","- Ni O12 Rb2 Si5 -","- Ni8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.817","","","","","","","has coordinates,has Fobs","175185","2020-10-21","18:00:00",""
"2241525","13.4085","0.001","13.6979","0.0011","13.5761","0.001","90","","90","","90","","2493.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium manganese silicon oxide","Dirubidium managnese(II) pentasilicate","","- Mn O12 Rb2 Si5 -","- Mn O12 Rb2 Si5 -","- Mn8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.263","","","","","","","has coordinates","175185","2020-10-21","18:00:00",""
"2241537","10.4277","0.0007","10.7014","0.0007","18.7154","0.0013","90","","90","","90","","2088.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>meso</i>-2,6-Dibromoheptanedioic acid","","- C7 H10 Br2 O4 -","- C7 H10 Br2 O4 -","- C56 H80 Br16 O32 -","8","1","PK2573","Dirda, Nathaniel D. A.; Zavalij, Peter Y.; Kao, Joseph P. Y.","Crystal and molecular structure of <i>meso</i>-2,6-dibromoheptanedioic acid (<i>meso</i>-2,6-dibromopimelic acid)","Acta Crystallographica Section E","2016","72","3","322","324","10.1107/S2056989016001754","","","0.71073","MoKα","","0.0539","0.0359","","","0.0777","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","176355","2020-10-21","18:00:00",""
"2241577","12.114","0.003","10.656","0.003","34.043","0.009","90","","90","","90","","4395","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κ<i>N</i>)platinate(II)","","- C16 H27 Br3 N2 Pt S -","- C16 H27 Br3 N2 Pt S -","- C128 H216 Br24 N16 Pt8 S8 -","8","1","BG2580","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0412","0.0314","","","0.0758","0.081","","","","","","1.033","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241597","8.8487","0.0013","8.1514","0.0011","29.284","0.004","90","","90","","90","","2112.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromo-2-(methoxymethoxy)benzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C80 H88 Br8 O32 -","8","1","","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","Comparison of the crystal structures of methyl 4-bromo-2-(methoxymethoxy)benzoate and 4-bromo-3-(methoxymethoxy)benzoic acid","Acta Crystallographica Section E","2016","72","4","477","481","10.1107/S2056989016003777","","","1.54178","CuKα","","0.0529","0.0522","","","0.1382","0.1392","","","","","","1.136","","","","has coordinates","178113","2020-10-21","18:00:00",""
"2241606","10.612","0.0004","10.8219","0.0004","21.7591","0.0008","90","","90","","90","","2498.86","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)","","- C22 H34 Mn N4 O8 -","- C22 H34 Mn N4 O8 -","- C88 H136 Mn4 N16 O32 -","4","0.5","WM5277","Ibragimov, Aziz B.; Zakirov, Bakhtiyar S.; Ashurov, Jamshid M.","Crystal structure of <i>trans</i>-bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)","Acta Crystallographica Section E","2016","72","4","502","504","10.1107/S2056989016004072","","","1.54184","CuKα","","0.0736","0.0445","","","0.1108","0.1359","","","","","","1.056","","","","has coordinates,has Fobs","178198","2020-10-21","18:00:00",""
"2241615","16.5415","0.0009","14.66","0.0011","17.0026","0.0012","90","","90","","90","","4123.1","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Acetonitrilechloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C24 H19 Cl N3 Rh -","- C24 H19 Cl N3 Rh -","- C192 H152 Cl8 N24 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0258","0.0237","","","0.0592","0.0602","","","","","","1.071","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241616","10.6964","0.0007","15.5329","0.0009","32.6325","0.0015","90","","90","","90","","5421.8","0.5","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C29 H30 N4 O4.5 Rh -","- C29 H29 N4 O4.5 Rh -","- C232 H232 N32 O36 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0407","0.0343","","","0.0916","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241617","11.1082","0.0005","15.5556","0.0006","32.6747","0.0015","90","","90","","90","","5646","0.4","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C31 H33 N4 O4 Rh -","- C31 H33 N4 O4 Rh -","- C248 H264 N32 O32 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0322","0.0291","","","0.0741","0.0757","","","","","","1.072","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241649","7.5071","0.0002","23.6113","0.0008","24.518","0.0008","90","","90","","90","","4345.9","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>S</i>*,2<i>R</i>*)-7-Benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C200 H216 N8 O32 S8 -","8","1","SU5286","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Crystal structure of (1<i>S</i>*,2<i>R</i>*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists","Acta Crystallographica Section E","2016","72","5","683","686","10.1107/S2056989016005855","","","1.54178","CuKα","","0.0625","0.0576","","","0.1467","0.1506","","","","","","1.101","","","","has coordinates,has Fobs","182291","2020-10-21","18:00:00",""
"2241685","9.2164","0.0005","20.376","0.0009","21.8731","0.0009","90","","90","","90","","4107.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1<i>H</i>-5-oxatetraphen-1-one","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","HB7584","Jotani, Mukesh M.; Iniyavan, P.; Vijayakumar, V.; Sarveswari, S.; Tan, Yee Seng; Tiekink, Edward R. T.","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1<i>H</i>-5-oxatetraphen-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","809","814","10.1107/S2056989016007775","","","0.71073","MoKα","","0.0485","0.0396","","","0.0932","0.0995","","","","","","1.036","","","","has coordinates,has Fobs","182947","2020-10-21","18:00:00",""
"2241696","7.2124","0.0009","14.1782","0.0019","20.794","0.003","90","","90","","90","","2126.4","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(Pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione","(2<i>Z</i>)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","HB7587","Lee, Sze-Ling; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(2<i>Z</i>)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","849","853","10.1107/S205698901600832X","","","0.71073","MoKα","","0.0521","0.0422","","","0.1137","0.1205","","","","","","1.045","","","","has coordinates,has Fobs","183122","2020-10-21","18:00:00",""
"2241792","10.998","0.002","9.276","0.0017","25.661","0.005","90","","90","","90","","2617.9","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-[(4-Carboxybenzyl)oxy]isophthalic acid","5-[(4-Carboxybenzyl)oxy]benzene-1,3-dicarboxylic acid","","- C16 H12 O7 -","- C16 H12 O7 -","- C128 H96 O56 -","8","1","SU5300","Faizi, Md. Serajul Haque; Ahmad, Musheer; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid","Acta Crystallographica Section E","2016","72","8","1219","1222","10.1107/S2056989016011762","","","0.71073","MoKα","","0.0495","0.0398","","","0.0939","0.1017","","","","","","1.069","","","","has coordinates,has Fobs","184733","2020-10-21","18:00:00",""
"2241806","10.7041","0.0004","7.5724","0.0003","28.6619","0.0011","90","","90","","90","","2323.21","0.15","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C96 H80 Cl8 N24 O8 -","8","1","SU5316","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2016","72","9","1270","1275","10.1107/S2056989016012512","","","0.71073","MoKα","","0.0745","0.0471","","","0.1185","0.1363","","","","","","1.022","","","","has coordinates,has Fobs","185710","2020-10-21","18:00:00",""
"2241853","8.3925","0.0009","14.0939","0.0015","15.8448","0.0017","90","","90","","90","","1874.2","0.3","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)glycinato]chloridocobalt(II)","","- C6 H12 Cl Co N O4 -","- C6 H12 Cl Co N O4 -","- C48 H96 Cl8 Co8 N8 O32 -","8","1","LH5821","Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling","Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the <i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycine anion","Acta Crystallographica Section E","2016","72","10","1463","1467","10.1107/S2056989016014596","","","0.71073","MoKα","","0.026","0.0252","","","0.065","0.0656","","","","","","1.135","","","","has coordinates,has Fobs","186750","2020-10-21","18:00:00",""
"2241862","8.1798","0.0008","15.8675","0.0013","27.775","0.004","90","","90","","90","","3605","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C18 H16 Fe N10 -","- C18 H16 Fe N10 -","- C144 H128 Fe8 N80 -","8","1","PJ2035","Setifi, Fatima; Moon, Dohyun; Koen, Robeyns; Setifi, Zouaoui; Lamsayah, Morad; Touzani, Rachid","Crystal structure of bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II)","Acta Crystallographica Section E","2016","72","10","1488","1491","10.1107/S2056989016014808","","","0.71073","MoKα","","0.136","0.0527","","","0.0966","0.1205","","","","","","0.969","","","","has coordinates,has Fobs","186856","2020-10-21","18:00:00",""
"2241918","15.7497","0.0002","7.7375","0.0001","18.8126","0.0002","90","","90","","90","","2292.57","0.05","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pentaamine dioxido uranium(V) nitrate ammoniate","Pentaammine dioxide uranium(V) nitrate ammonia monosolvate","","- H18 N7 O5 U -","- H18 N7 O5 U -","- H144 N56 O40 U8 -","8","1","WM5331","Woidy, Patrick; Kraus, Florian","Crystal structure of [UO~2~(NH~3~)~5~]NO~3~·NH~3~","Acta Crystallographica Section E","2016","72","12","1710","1713","10.1107/S2056989016016480","","","0.71073","MoKα","","0.0531","0.0329","","","0.0845","0.0895","","","","","","1.043","","","","has coordinates,has Fobs","187746","2020-10-21","18:00:00",""
"2241938","14.65213","0.00017","17.952","0.0002","24.0079","0.0003","90","","90","","90","","6314.92","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Bromo-3,5-dimethylphenol","","- C8 H9 Br O -","- C8 H9 Br O -","- C256 H288 Br32 O32 -","32","4","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0323","0.0261","","","0.0625","0.0652","","","","","","1.021","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241951","11.7112","0.0006","15.9238","0.0006","14.8703","0.0006","90","","90","","90","","2773.1","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[μ-<i>N</i>^1^,<i>N</i>^2^-bis(propan-2-yl)benzamidinato-κ^2^<i>N</i>^1^:<i>N</i>^2^]disilver(I)","","- C26 H38 Ag2 N4 -","- C26 H38 Ag2 N4 -","- C104 H152 Ag8 N16 -","4","0.5","WM5332","Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.","Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate","Acta Crystallographica Section E","2016","72","12","1786","1790","10.1107/S2056989016017680","","","0.71073","MoKα","","0.037","0.0238","","","0.044","0.0467","","","","","","0.991","","","","has coordinates,has Fobs","188496","2020-10-21","18:00:00",""
"2241970","9.91","0.002","8.373","0.0017","22.999","0.005","90","","90","","90","","1908.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Cyclohexane-1,2-diammonium chromate(VI)","","- C6 H16 Cr N2 O4 -","- C6 H16 Cr N2 O4 -","- C48 H128 Cr8 N16 O32 -","8","1","WM5343","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2016","72","12","1872","1874","10.1107/S2056989016019009","","","0.65","synchrotron","","0.0723","0.0553","","","0.1464","0.1599","","","","","","0.987","","","","has coordinates,has Fobs","188961","2020-10-21","18:00:00",""
"2242036","8.6065","0.0008","12.1558","0.0012","23.82","0.002","90","","90","","90","","2492","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","β-Benzyl <i>DL</i>-aspartate <i>N</i>-carboxyanhydride","Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","1","SU5349","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of β-benzyl <small>DL</small>-aspartate <i>N</i>-carboxyanhydride","Acta Crystallographica Section E","2017","73","3","445","447","10.1107/S2056989017003024","","","0.71075","MoKα","","0.1083","0.0468","","","0.0974","0.1153","","","","","","0.981","","","","has coordinates,has Fobs","192751","2020-10-21","18:00:00",""
"2242054","12.8756","0.0008","13.3719","0.0008","15.9033","0.001","90","","90","","90","","2738.1","0.3","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","IrCl(1,5-cod)~2~","Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C16 H24 Cl Ir -","- C16 H24 Cl Ir -","- C128 H192 Cl8 Ir8 -","8","1","WM5359","Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.","Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2017","73","2","273","277","10.1107/S2056989017000809","","","0.71073","MoKα","","0.0619","0.0347","","","0.0642","0.0721","","","","","","1.005","","","","has coordinates,has Fobs","193928","2020-10-21","18:00:00",""
"2242072","18.2743","0.0012","7.4835","0.0005","19.8021","0.0012","90","","90","","90","","2708.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","1","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of <i>N</i>-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and <i>N</i>-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.0971","0.0502","","","0.1341","0.161","","","","","","1.081","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242113","8.7344","0.0008","9.5967","0.0009","36.41","0.003","90","","90","","90","","3051.9","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(Pyren-1-yl)-1<i>H</i>-benzimidazole","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, S.","Crystal structure and DFT study of 2-(pyren-1-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2017","73","8","1180","1183","10.1107/S2056989017010271","","","0.71073","MoKα","","0.0941","0.049","","","0.097","0.1127","","","","","","1.027","","","","has coordinates,has Fobs","198831","2020-10-21","18:00:00",""
"2242139","7.7463","0.0015","13.235","0.003","25.642","0.005","90","","90","","90","","2628.9","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluorocytosinium picrate","","- C10 H7 F N6 O8 -","- C10 H7 F N6 O8 -","- C80 H56 F8 N48 O64 -","8","1","ZS2375","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate","Acta Crystallographica Section E","2017","73","3","361","364","10.1107/S205698901700216X","","","0.71073","MoKα","","0.0696","0.0582","","","0.1571","0.1738","","","","","","1.087","","","","has coordinates,has Fobs","199116","2020-10-21","18:00:00",""
"2242162","11.9144","0.0016","8.3755","0.0012","30.382","0.004","90","","90","","90","","3031.8","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Bromophenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}- 1-ethanone","","- C15 H10 Br N3 O2 S -","- C15 H10 Br N3 O2 S -","- C120 H80 Br8 N24 O16 S8 -","8","1","HB7660","Bano, Huma; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one","Acta Crystallographica Section E","2017","73","4","623","626","10.1107/S2056989017004819","","","0.71073","MoKα","","0.053","0.0354","","","0.093","0.1139","","","","","","1.133","","","","has coordinates,has Fobs","199133","2020-10-21","18:00:00",""
"2242207","7.7876","0.0005","19.4656","0.0012","21.7879","0.0013","90","","90","","90","","3302.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C136 H152 N24 O40 -","8","1","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0992","0.0509","","","0.1015","0.1243","","","","","","1.01","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242216","7.9147","0.0005","16.2171","0.0011","22.5254","0.0016","90","","90","","90","","2891.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","","- C17 H11 F3 O4 -","- C17 H11 F3 O4 -","- C136 H88 F24 O32 -","8","1","HB7688","Low, John Nicolson; Gomes, Ligia R.; Gaspar, Alexandra; Borges, Fernanda","Structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2017","73","8","1130","1134","10.1107/S2056989017009896","","","0.71075","MoKα","","0.0446","0.0355","","","0.0947","0.103","","","","","","1.018","","","","has coordinates,has Fobs","199181","2020-10-21","18:00:00",""
"2242252","16.4313","0.0007","7.1909","0.0003","24.7345","0.0011","90","","90","","90","","2922.5","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis[(<i>E</i>)-benzylideneamino)propan-2-ol","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","1","SJ5523","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(<i>E</i>)-benzylideneamino]propan-2-ol","Acta Crystallographica Section E","2017","73","4","627","629","10.1107/S2056989017004741","","","0.71073","MoKα","","0.0582","0.0464","","","0.1049","0.1106","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","199212","2020-10-21","18:00:00",""
"2242336","8.956","0.004","10.697","0.005","20.331","0.009","90","","90","","90","","1947.8","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ~3~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]zinc(II)]","","- C10 H8 N2 O2 Zn -","- C10 H8 N2 O2 Zn -","- C80 H64 N16 O16 Zn8 -","8","1","LH5857","Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming","Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand","Acta Crystallographica Section E","2018","74","1","28","33","10.1107/S2056989017017534","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0629","","","","","","1.031","","","","has coordinates,has Fobs","205718","2020-10-21","18:00:00",""
"2242342","14.292","0.003","13.729","0.003","17.23","0.003","90","","90","","90","","3380.8","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0517","0.0417","","","0.106","0.1122","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242343","14.245","0.003","13.855","0.003","17.629","0.004","90","","90","","90","","3479.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0598","0.0497","","","0.1336","0.147","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242371","7.793","0.0005","19.0947","0.0016","22.1843","0.0017","90","","90","","90","","3301.1","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM-56; 3-(4-Bromophenyl)-1,5-diphenylformazan","<i>N</i>'-Anilino-4-bromo-<i>N</i>-(phenylimino)benzene-1-carboximidamide","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C152 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.1071","0.0574","","","0.1311","0.1525","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","206296","2020-10-21","18:00:00",""
"2242372","7.0881","0.0003","21.2183","0.0011","22.2028","0.0009","90","","90","","90","","3339.2","0.3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM61; 3-(4-Bromophenyl)-1,5-diphenylverdazyl radical","6-(4-Bromophenyl)-2,4-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazin-1-yl","","- C20 H16 Br N4 -","- C20 H16 Br N4 -","- C160 H128 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0326","0.0292","","","0.0738","0.0755","","","","","","1.095","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242373","7.7989","0.0009","18.971","0.003","22.455","0.004","90","","90","","90","","3322.3","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM58NL","5-Anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","","- C20 H15 Br N4 -","- C20 H15 Br N4 -","- C160 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0963","0.0563","","","0.1111","0.126","","","","","","1.053","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242407","15.801","0.006","10.28","0.004","18.46","0.007","90","","90","","90","","2999","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>S</i>)-2-(3-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","HB7733","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.1223","0.0776","","","0.1954","0.2163","","","","","","1.188","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242449","13.2129","0.001","11.1224","0.0008","25.1604","0.0019","90","","90","","90","","3697.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(Anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","RZ5230","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","5","650","655","10.1107/S2056989018005467","","","0.71073","MoKα","","0.0512","0.0431","","","0.1059","0.114","","","","","","1.038","","","","has coordinates,has Fobs","207546","2020-10-21","18:00:00",""
"2242497","9.3504","0.0003","13.6265","0.0004","22.879","0.0009","90","","90","","90","","2915.09","0.17","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","IS5495","Stikute, Agnese; Skestere, Karina; Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2018","74","6","796","798","10.1107/S2056989018006941","","","0.71073","MoKα","","0.1019","0.0586","","","0.1171","0.1305","","","","","","1.043","","","","has coordinates,has Fobs","207787","2020-10-21","18:00:00",""
"2242519","12.3031","0.0006","10.2629","0.0005","37.856","0.002","90","","90","","90","","4779.9","0.4","108.8","0.4","108.8","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine","Tris(4-methoxy-3,5-dimethylphenyl)phosphane","","- C27 H33 O3 P -","- C27 H33 O3 P -","- C216 H264 O24 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0864","0.0731","","","0.189","0.198","","","","","","1.049","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242520","11.28601","0.00011","11.90008","0.00011","36.3801","0.0003","90","","90","","90","","4886.01","0.08","108.3","0.4","108.3","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine oxide","Tris(4-methoxy-3,5-dimethylphenyl(oxo)-λ^5^-phosphane","","- C27 H33 O4 P -","- C27 H33 O4 P -","- C216 H264 O32 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0424","0.0386","","","0.0979","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242526","6.5023","0.0015","18.779","0.004","20.236","0.004","90","","90","","90","","2471","0.9","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","NH4 Tiron","Diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate","","- C6 H14 N2 O9 S2 -","- C6 H14 N2 O9 S2 -","- C48 H112 N16 O72 S16 -","8","1","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.1106","0.0545","","","0.1064","0.1271","","","","","","1.011","","","","has coordinates,has Fobs","208217","2020-10-21","18:00:00",""
"2242533","10.475","0.004","16.884","0.004","15.514","0.002","90","","90","","90","","2743.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[3-(Azaniumylmethyl)cyclohexyl]methanaminium dinitrate","","- C8 H20 N4 O6 -","- C8 H20 N4 O6 -","- C64 H160 N32 O48 -","8","1","XU5926","Chebbi, Hammouda; Mezrigui, Samia; Ben Jomaa, Meriam; Zid, Mohamed Faouzi","Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclohexanebis(methylammonium): [3-(azaniumylmethyl)cyclohexyl]methanaminium dinitrate","Acta Crystallographica Section E","2018","74","7","949","954","10.1107/S2056989018008381","","","0.71073","MoKα","","0.2211","0.0622","","","0.1211","0.1725","","","","","","0.975","","","","has coordinates,has Fobs","208303","2020-10-21","18:00:00",""
"2242535","8.7657","0.0006","27.285","0.002","14.6938","0.0013","90","","90","","90","","3514.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C168 H112 N32 O16 -","8","1","QM2124","Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Iskenderov, Turganbay S.; Yildiz, S. Zeki","Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","Acta Crystallographica Section E","2018","74","7","994","997","10.1107/S2056989018008745","","","0.71073","MoKα","","0.1052","0.0444","","","0.0891","0.1056","","","","","","0.906","","","","has coordinates,has Fobs","208531","2020-10-21","18:00:00",""
"2242560","13.921","0.003","11.296","0.002","22.623","0.005","90","","90","","90","","3557.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C176 H160 N16 O16 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1135","0.0742","","","0.1609","0.1896","","","","","","1.045","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2242561","13.928","0.003","10.684","0.002","22.368","0.005","90","","90","","90","","3328.5","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1229","0.0888","","","0.1962","0.2238","","","","","","1.054","","","","has coordinates,has Fobs","209028","2020-10-21","18:00:00",""
"2242576","9.526","0.0019","28.608","0.006","10.27","0.002","90","","90","","90","","2798.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)-2-methylpropanoic acid","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","1","EX2009","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Crystal structures of <i>Z</i>‒Gly‒Aib‒O^{-^}·0.5Ca^2+^·H~2~O and <i>Z</i>‒Gly‒Aib‒OH","Acta Crystallographica Section E","2018","74","8","1173","1177","10.1107/S2056989018010745","","","1.54178","CuKα","","0.0419","0.0364","","","0.0869","0.0903","","","","","","1.094","","","","has coordinates,has Fobs","209275","2020-10-21","18:00:00",""
"2242705","9.582","0.013","11.444","0.015","26.69","0.04","90","","90","","90","","2927","7","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","HB7781","Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed","Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups","Acta Crystallographica Section E","2018","74","12","1695","1699","10.1107/S2056989018015098","","","0.71073","MoKα","","0.0671","0.0528","","","0.127","0.1353","","","","","","1.076","","","","has coordinates,has Fobs","211853","2020-10-21","18:00:00",""
"2242736","13.164","0.002","7.4692","0.0009","21.173","0.003","90","","90","","90","","2081.8","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylic acid","","- C11 H8 N2 O4 -","- C11 H8 N2 O4 -","- C88 H64 N16 O32 -","8","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0925","0.0449","","","0.0987","0.1215","","","","","","1.034","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242799","13.6092","0.0003","21.588","0.0007","26.5297","0.0007","90","","90","","90","","7794.3","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ethanol-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>'){μ-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>':κ^2^<i>O</i>,<i>O</i>'}{2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}discandium","","- C42 H34 N6 O11 Sc2 -","- C42 H34 N6 O11 Sc2 -","- C336 H272 N48 O88 Sc16 -","8","1","ZL2746","Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","An unsymmetrical dinuclear scandium complex comprising salophen ligands [H~2~salophen = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-phenylenediamine]","Acta Crystallographica Section E","2019","75","2","175","178","10.1107/S2056989019000094","","","0.71073","MoKα","","0.071","0.0451","","","0.09","0.0984","","","","","","1.036","","","","has coordinates,has Fobs","213098","2020-10-21","18:00:00",""
"2242865","7.5106","0.0011","9.314","0.0013","17.343","0.003","90","","90","","90","","1213.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Oxo-1,3-thiazolidin-4-iminium chloride","","- C3 H5 Cl N2 O S -","- C3 H5 Cl N2 O S -","- C24 H40 Cl8 N16 O8 S8 -","8","1","JJ2207","Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim","Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride","Acta Crystallographica Section E","2019","75","4","443","446","10.1107/S2056989019003189","","","0.71073","MoKα","","0.0328","0.027","","","0.0725","0.0768","","","","","","1.053","","","","has coordinates,has Fobs","214085","2020-10-21","18:00:00",""
"2242869","14.18206","0.0001","9.78934","0.00011","9.37624","0.0001","90","","90","","90","","1301.73","0.02","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Strontium perchlorate anhydrate","Strontium perchlorate anhydrate","","- Cl2 O8 Sr -","- Cl2 O8 Sr -","- Cl16 O64 Sr8 -","8","1","WM5484","Hyoung, Jooeun; Lee, Hyeon Woo; Kim, So Jin; Shin, Hong Rim; Hong, Seung-Tae","Crystal structure of strontium perchlorate anhydrate, Sr(ClO~4~)~2~, from laboratory powder X-ray diffraction data","Acta Crystallographica Section E","2019","75","4","447","450","10.1107/S2056989019003335","powder diffraction","x-ray","1.5405","Cukα~1~","","","","","","","","","","1.31","","","","","","","has coordinates","214146","2020-10-21","18:00:00",""
"2242877","11.2814","0.0006","12.6299","0.0006","22.0008","0.0015","90","","90","","90","","3134.7","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5<i>H</i>-5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine derivatives","Acta Crystallographica Section E","2019","75","4","492","498","10.1107/S2056989019003700","","","0.71073","MoKα","","0.1412","0.0385","","","0.0559","0.0725","","","","","","0.798","","","","has coordinates,has Fobs","214377","2020-10-21","18:00:00",""
"2242902","20.396","0.003","16.066","0.003","21.738","0.003","90","","90","","90","","7123","2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate","","- C33 H40 N4 Ni3 O7 S3 -","- C33 H40 N4 Ni3 O7 S3 -","- C264 H320 N32 Ni24 O56 S24 -","8","1","EX2019","Rusanova, Julia A.; Kokozay, Vladimir N.; Pokas, Olena V.","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate: crystal structure, spectroscopic characterization and antibacterial activity","Acta Crystallographica Section E","2019","75","5","615","618","10.1107/S2056989019004730","","","0.71073","MoKα","","0.084","0.0424","","","0.0956","0.1132","","","","","","0.996","","","","has coordinates,has Fobs","214627","2020-10-21","18:00:00",""
"2242903","10.2301","0.0002","15.2456","0.0003","21.5426","0.0005","90","","90","","90","","3359.87","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II))","","- C36 H40 N4 Ni2 O8 -","- C36 H40 N4 Ni2 O8 -","- C144 H160 N16 Ni8 O32 -","4","0.5","LH5898","Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand","Acta Crystallographica Section E","2019","75","5","619","622","10.1107/S2056989019004766","","x-ray","0.71073","MoKα","","0.0574","0.0407","","","0.0793","0.0875","","","","","","1.026","","","","has coordinates,has Fobs","214628","2020-10-21","18:00:00",""
"2242908","11.5504","0.0007","13.8047","0.0007","22.3899","0.0012","90","","90","","90","","3570.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","WM5490","Faizi, Md. Serajul Haque; Kamaal, Saima; Ali, Arif; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-(2-hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","Acta Crystallographica Section E","2019","75","5","646","649","10.1107/S2056989019005103","","","0.71073","MoKα","","0.0706","0.044","","","0.0947","0.1131","","","","","","1.05","","","","has coordinates,has Fobs","214702","2020-10-21","18:00:00",""
"2242947","9.5115","0.0007","18.7385","0.0019","10.0216","0.0008","90","","90","","90","","1786.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","MW2145","Yaman, Mavise; Dege, Necmi; Ayoob, Mzgin M.; Hussein, Awaz J.; Samad, Mohammed K.; Fritsky, Igor O.","Hirshfeld surface analysis and crystal structure of <i>N</i>-(2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2019","75","6","830","833","10.1107/S2056989019006972","","","0.71073","MoKα","","0.0807","0.0496","","","0.1306","0.1476","","","","","","1.048","","","","has coordinates,has Fobs","215395","2020-10-21","18:00:00",""
"2242950","15.582","0.0005","20.0517","0.0007","23.3082","0.0008","90","","90","","90","","7282.5","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>'-Ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazine-1-ylidene]pentane-2,4-dione (1/1)","","- C35 H35 Cu N11 O10 -","- C35 H35 Cu N11 O10 -","- C280 H280 Cu8 N88 O80 -","8","1","YK2120","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","Crystal structure of (<i>N</i>,<i>N</i>'-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)","Acta Crystallographica Section E","2019","75","6","834","837","10.1107/S2056989019005838","","","0.71073","MoKα","","0.0875","0.0466","","","0.1116","0.1298","","","","","","0.955","","","","has coordinates,has Fobs","215398","2020-10-21","18:00:00",""
"2242970","11.0808","0.0005","9.0251","0.0005","22.8157","0.001","90","","90","","90","","2281.69","0.19","294","0.2","294","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C13 H10 O2 S -","- C13 H10 O2 S -","- C104 H80 O16 S8 -","8","1","LH5905","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.0632","0.0487","","","0.1236","0.1338","","","","","","1.047","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242980","8.9401","0.0001","15.0535","0.0002","15.7314","0.0003","90","","90","","90","","2117.13","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl [({2-[2-(diethoxyphosphinoyl)ethanamido]ethyl}carbamoyl)methyl]phosphonate","","- C14 H30 N2 O8 P2 -","- C14 H30 N2 O8 P2 -","- C56 H120 N8 O32 P8 -","4","0.5","PK2617","VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds","Acta Crystallographica Section E","2019","75","7","991","996","10.1107/S205698901900820X","","","1.54178","CuKα","","0.0391","0.0349","","","0.0901","0.0931","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216005","2020-10-21","18:00:00",""
"2242987","16.9915","0.0006","9.3183","0.0003","22.0129","0.0007","90","","90","","90","","3485.3","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4-Triphenylcyclopentane-1,2-diol","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone","Acta Crystallographica Section E","2019","75","7","1035","1040","10.1107/S2056989019008673","","","0.71073","MoKα","","0.0636","0.0546","","","0.1307","0.1363","","","","","","1.11","","","","has coordinates,has Fobs","216494","2020-10-21","18:00:00",""
"2242999","13.082","0.0008","8.0287","0.0004","24.0442","0.0012","90","","90","","90","","2525.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[1-(4-Hydroxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","RZ5260","Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc","Crystal structure of two <i>N</i>'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides","Acta Crystallographica Section E","2019","75","8","1090","1095","10.1107/S2056989019008892","","x-ray","0.71073","MoKα","","0.0731","0.0456","","","0.0944","0.1087","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","216706","2020-10-21","18:00:00",""
"2243044","13.032","0.0011","13.247","0.0013","19.258","0.002","90","","90","","90","","3324.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C144 H152 Cl8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0812","0.0477","","","0.1108","0.127","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","217325","2020-10-21","18:00:00",""
"2243045","12.9119","0.0014","13.3664","0.0016","19.5019","0.0019","90","","90","","90","","3365.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Bromoobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C144 H152 Br8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0651","0.045","","","0.1187","0.1308","","","","","","1.02","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243046","12.7671","0.0013","13.5429","0.0012","20.2542","0.0016","90","","90","","90","","3502","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Iodobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C144 H152 I8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0807","0.0676","","","0.1409","0.1458","","","","","","1.176","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243047","9.7265","0.0006","12.9084","0.0009","24.861","0.001","90","","90","","90","","3121.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxybenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C144 H160 N16 O24 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0638","0.0406","","","0.0903","0.0997","","","","","","1.041","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243102","9.2817","0.0007","11.2905","0.0007","30.309","0.002","90","","90","","90","","3176.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium pyridine-3-carboxylate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C136 H168 N24 O24 -","8","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.074","0.0484","","","0.1054","0.1185","","","","","","1.035","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243127","12.1452","0.0005","8.1784","0.0003","31.2738","0.0012","90","","90","","90","","3106.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(4-Hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","SJ5579","Duong Khanh, Linh; Hanh Trinh Thi, My; Quynh Bui Thi, Thuy; Vu Quoc, Trung; Nguyen Thien, Vuong; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate","Acta Crystallographica Section E","2019","75","11","1590","1594","10.1107/S2056989019013379","","x-ray","0.71073","MoKα","","0.075","0.0502","","","0.1023","0.1154","","","","","","1.029","","","","has coordinates,has Fobs","219179","2020-10-21","18:00:00",""
"2243130","14.1711","0.0004","6.0546","0.0002","27.7102","0.0008","90","","90","","90","","2377.54","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine","","- C13 H8 Br2 N2 -","- C13 H8 Br2 N2 -","- C104 H64 Br16 N16 -","8","1","WM5525","Khamees, Hussien Ahmed; Chaluvaiah, Kumara; El-khatatneh, Nasseem Ahmed; Swamynayaka, Ananda; Chong, Kwong Huey; Dasappa, Jagadeesh Prasad; Madegowda, Mahendra","Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2019","75","11","1620","1626","10.1107/S2056989019013410","","","0.71073","MoKα","","0.1269","0.0473","","","0.0939","0.1183","","","","","","0.996","","","","has coordinates,has Fobs","219182","2020-10-21","18:00:00",""
"2243200","9.4973","0.0013","7.9733","0.0011","26.682","0.004","90","","90","","90","","2020.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetyl-8-methoxy-2<i>H</i>-chromen-2-one","","- C12 H10 O4 -","- C12 H10 O4 -","- C96 H80 O32 -","8","1","DX2020","Gonzalez-Carrillo, Gabino; Muñiz-Valencia, Roberto; García-Báez, Efren V.; Martínez-Martínez, Francisco J.","Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2019","75","12","1866","1870","10.1107/S2056989019015159","","","0.71073","MoKα","","0.0573","0.0411","","","0.1105","0.1159","","","","","","1.101","","","","has coordinates,has Fobs","227943","2020-10-21","18:00:00",""
"2243233","12.4962","0.0005","9.9237","0.0004","29.5925","0.0015","90","","90","","90","","3669.7","0.3","293.2","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","","- C15 H22 N4 O5 S -","- C15 H22 N4 O5 S -","- C120 H176 N32 O40 S8 -","8","1","","Ivachtchenko, Alexandre V.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Mitkin, Oleg D.; Ivanov, Vladimir V.; Langer, Thierry","Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","Acta Crystallographica Section E","2020","76","1","12","17","10.1107/S2056989019015986","","x-ray","0.71073","MoKα","","0.0652","0.0496","","","0.1175","0.1268","","","","","","1.06","","","","has coordinates,has Fobs","246417","2020-10-21","18:00:00",""
"2243241","14.0717","0.0008","6.4811","0.0004","26.767","0.002","90","","90","","90","","2441.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-{[(3-Chlorophenyl)imino]methyl}-6-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","MW2154","Saraçoğlu, Hanife; Doğan, Onur Erman; Ağar, Tuğgan; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure, DFT and MEP study of (<i>E</i>)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","2","141","144","10.1107/S2056989019017353","","","0.71073","MoKα","","0.0493","0.0393","","","0.1114","0.1167","","","","","","1.047","","","","has coordinates,has Fobs","246736","2020-10-21","18:00:00",""
"2243256","12.6157","0.0003","16.9629","0.0004","22.2759","0.0006","90","","90","","90","","4767","0.2","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(2-oxopropyl)selanium 1-ammonioundecafluorododecaborate","","- C9 H18 B12 F11 N O3 Se -","- C9 H18 B12 F11 N O3 Se -","- C72 H144 B96 F88 N8 O24 Se8 -","8","1","PK2622","Jenne, Carsten; Nierstenhöfer, Marc C.","[Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents","Acta Crystallographica Section E","2020","76","2","221","224","10.1107/S2056989020000481","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0805","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","247003","2020-10-21","18:00:00",""
"2243302","7.7418","0.0008","13.856","0.003","36.197","0.005","90","","90","","90","","3882.9","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[Bis(benzylsulfanyl)methyl]-6-methoxyphenol","","- C22 H22 O2 S2 -","- C22 H22 O2 S2 -","- C176 H176 O16 S16 -","8","1","VM2228","Raghuvanshi, Abhinav; Knauer, Lena; Viau, Lydie; Knorr, Michael; Strohmann, Carsten","Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol","Acta Crystallographica Section E","2020","76","4","484","487","10.1107/S2056989020002091","","x-ray","0.71073","MoKα","","0.0403","0.0338","","","0.076","0.0792","","","","","","1.088","","","","has coordinates","248728","2020-10-21","18:00:00",""
"2243334","9.6659","0.0007","14.0682","0.0011","14.4869","0.0013","90","","90","","90","","1970","0.3","296","2","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C72 H80 Cl8 N8 O8 S8 -","8","1","ZQ2250","Mongkholkeaw, Sitthichok; Songsasen, Apisit; Duangthongyou, Tanwawan; Chainok, Kittipong; Suramitr, Songwut; Wattanathana, Worawat; Wannalerse, Boontana","Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2020","76","4","594","598","10.1107/S2056989020002960","","","0.71073","MoKα","","0.0764","0.047","","","0.1112","0.1274","","","","","","1.022","","","","has coordinates,has Fobs","249910","2020-10-21","18:00:00",""
"2243338","12.7245","0.0007","9.5887","0.0006","23.7276","0.0014","90","","90","","90","","2895","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","LH5952","Daouda, Ballo; Tuo, Nanou Tiéba; Hökelek, Tuncer; Niameke Jean-Baptiste, Kangah; Charles Guillaume, Kodjo; Claude, Kablan Ahmont Landry; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2020","76","5","605","610","10.1107/S2056989020004284","","x-ray","0.71073","MoKα","","0.0631","0.0449","","","0.1105","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","250122","2020-10-21","18:00:00",""
"2243355","11.8747","0.001","7.2485","0.0006","30.392","0.002","90","","90","","90","","2616","0.4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.109","0.0502","","","0.1088","0.1433","","","","","","1.046","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243373","13.2518","0.0003","12.1773","0.0003","25.8419","0.0006","90","","90","","90","","4170.14","0.17","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate","","- C19 H20 F6 N2 O5 -","- C19 H20 F6 N2 O5 -","- C152 H160 F48 N16 O40 -","8","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0351","0.0315","","","0.0796","0.0819","","","","","","1.043","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243400","12.9844","0.0002","11.9583","0.0001","19.3729","0.0002","90","","90","","90","","3008.06","0.06","100","2","100.15","","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-Cyclopropyl-1,3-diphenylfulvene","5-(Cyclopropylmethylidene)-1,3-diphenylcyclopenta-1,3-diene","","- C21 H18 -","- C21 H18 -","- C168 H144 -","8","1","YK2129","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0406","0.0356","","","0.0911","0.094","","","","","","1.081","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243443","10.26799","0.00006","18.26557","0.0001","21.67365","0.00012","90","","90","","90","","4064.91","0.04","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II)","","- C16 H14 N6 O12 Zn -","- C16 H14 N6 O12 Zn -","- C128 H112 N48 O96 Zn8 -","8","1","YK2132","Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz","Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine","Acta Crystallographica Section E","2020","76","7","1113","1116","10.1107/S2056989020007938","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0906","0.0912","","","","","","1.093","","","","has coordinates,has Fobs","253290","2020-10-21","18:00:00",""
"2243446","12.7875","0.0009","11.3732","0.0012","14.3637","0.0012","90","","90","","90","","2089","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,8-Dimethoxy-3-methyl-1<i>H</i>-isochromem-1-one","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0835","0.0521","","","0.1055","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","253293","2020-10-21","18:00:00",""
"2243458","9.286","0.001","11.4809","0.0008","12.6469","0.001","90","","90","","90","","1348.3","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one","","- C6 H8 O2 S -","- C6 H8 O2 S -","- C48 H64 O16 S8 -","8","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","1.54184","CuKα","","0.0621","0.0531","","","0.1371","0.1482","","","","","","1.071","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243461","18.6879","0.0016","9.4736","0.0008","24.283","0.002","90","","90","","90","","4299.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C25 H24 F N O5 -","- C25 H24 F N O5 -","- C200 H192 F8 N8 O40 -","8","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.1145","0.0535","","","0.1028","0.1229","","","","","","1.007","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243473","7.8139","0.0003","27.047","0.001","11.7683","0.0005","90","","90","","90","","2487.14","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-5-methylbenzylidene)amino]benzonitrile","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","ZL2787","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2020","76","8","1195","1200","10.1107/S2056989020008907","","","0.71073","MoKα","","0.064","0.0377","","","0.0933","0.103","","","","","","1.036","","","","has coordinates,has Fobs","253760","2020-10-21","18:00:00",""
"2243533","18.0904","0.0007","7.8971","0.0003","19.8043","0.0008","90","","90","","90","","2829.28","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone","","- C13 H12 Cl F3 N2 O3 -","- C13 H12 Cl F3 N2 O3 -","- C104 H96 Cl8 F24 N16 O24 -","8","1","VM2238","Eckhardt, Tamira; Goddard, Richard; Rudolph, Ines; Richter, Adrian; Lehmann, Christoph; Imming, Peter; Seidel, Rüdiger W.","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis","Acta Crystallographica Section E","2020","76","9","1442","1446","10.1107/S2056989020010658","","","1.54178","CuKα","","0.0432","0.0425","","","0.1141","0.1147","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","255255","2020-10-21","18:00:00",""
"2243570","7.3925","0.0003","15.4082","0.0006","23.575","0.0009","90","","90","","90","","2685.31","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","ZL2794","Cinar, Emine Berrin; Faizi, Md. Serajul Haque; Yagci, Nermin Kahveci; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","10","1551","1556","10.1107/S2056989020011652","","","0.71073","MoKα","","0.0781","0.0427","","","0.1114","0.1248","","","","","","1.035","","","","has coordinates,has Fobs","255918","2020-10-21","18:00:00",""
"2243600","6.6662","0.0002","19.5903","0.0007","23.4286","0.0008","90","","90","","90","","3059.61","0.18","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","calcium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate]","","- C8 H24 Ca O9 -","- C8 H24 Ca O9 -","- C64 H192 Ca8 O72 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.078","0.0807","","","","2.11","2.11","1.99","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243602","6.7153","0.0003","19.6061","0.001","23.3498","0.0011","90","","90","","90","","3074.3","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","calcium strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","","- C8 H24 Ca0.794 O9 Sr0.206 -","- C8 H24 Ca0.7936 O9 Sr0.2064 -","- C64 H192 Ca6.3488 O72 Sr1.6512 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0373","0.0258","","","0.059","0.0615","","","","1.68","1.68","1.54","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243760","15.0694","0.0003","16.9659","0.0003","22.192","0.0004","90","","90","","90","","5673.74","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]","","- C14 H21.61 K4 N8 Ni2 O18.81 -","- C14 H21.61 K4 N8 Ni2 O18.805 -","- C112 H172.88 K32 N64 Ni16 O150.44 -","8","1","WM5595","Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Iskenderov, Turganbay S.; Mulloev, Nurullo U.","Crystal structure and Hirshfeld surface analysis of poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]","Acta Crystallographica Section E","2021","77","3","298","304","10.1107/S205698902100205X","","","0.71073","MoKα","","0.0404","0.0334","","","0.0722","0.0762","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","262296","2021-02-27","05:58:37",""
"2243766","27.9446","0.0004","8.4311","0.0001","35.0101","0.0005","90","","90","","90","","8248.51","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","","- C23 H21 Cl N2 O3 -","- C23 H21 Cl N2 O3 -","- C368 H336 Cl16 N32 O48 -","16","2","YZ2005","Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.","Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2021","77","4","351","355","10.1107/S2056989021002140","","x-ray","1.54184","CuKα","","0.057","0.0497","","","0.1256","0.1316","","","","","","1.041","","","","has coordinates,has Fobs","262791","2021-03-06","06:19:02",""
"2243783","9.6545","0.0006","11.2437","0.0006","22.9108","0.0014","90","","90","","90","","2487","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","TX2037","Idrissi, Ahlam; Chkirate, Karim; Abad, Nadeem; Djerrari, Bahia; Achour, Redouane; Essassi, El Mokhtar; Van Meervelt, Luc","Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2021","77","4","396","401","10.1107/S2056989021002723","","x-ray","0.71073","MoKα","","0.0899","0.0635","","","0.1798","0.2028","","","","","","1.052","","","","has coordinates,has Fobs","263203","2021-03-20","06:13:02",""
"2243835","9.3802","0.0013","9.4076","0.0013","37.235","0.005","90","","90","","90","","3285.8","0.8","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-2-(4-hexyloxyphenyl)-1<i>H</i>-benzimidazole","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C152 H176 N16 O8 -","8","1","","Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I.","Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles","Acta Crystallographica Section E","2021","77","6","618","622","10.1107/S2056989021004898","","x-ray","0.71073","MoKα","","0.125","0.0988","","","0.2222","0.2332","","","","","","1.168","","","","has coordinates,has Fobs","265247","2021-05-15","04:51:00",""
"2243889","10.0991","0.0018","7.7277","0.0014","45.979","0.008","90","","90","","90","","3588.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(4-Chlorophenyl)-<i>N</i>-(4-ferrocenylphenyl)methanimine","","- C23 H18 Cl Fe N -","- C23 H18 Cl Fe N -","- C184 H144 Cl8 Fe8 N8 -","8","1","ZL5016","Sghyar, Riham; Moussaoui, Oussama; Sebbar, Nada Kheira; Ait Elmachkouri, Younesse; Irrou, Ezaddine; Hökelek, Tuncer; Mague, Joel T.; Bentama, Abdesslam; El hadrami, El Mestafa","Crystal structure and Hirshfeld surface analysis study of (<i>E</i>)-1-(4-chlorophenyl)-<i>N</i>-(4-ferrocenylphenyl)methanimine","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008033","","","0.71073","MoKα","","0.0921","0.0626","","","0.1112","0.1183","","","","","","1.165","","","","has coordinates,has disorder,has Fobs","268021","2021-08-11","02:14:19",""
"2243935","7.6699","0.0004","11.608","0.0006","30.1431","0.0017","90","","90","","90","","2683.7","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-{[(2,4-Dimethylphenyl)imino]methyl}-4-methylphenol","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","YK2157","Kansiz, Sevgi; Gul, Adem; Dege, Necmi; Agar, Erbil; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010215","","","0.71073","MoKα","","0.0691","0.0419","","","0.1135","0.1247","","","","","","0.997","","","","has coordinates,has Fobs","269938","2021-10-14","02:29:09",""
"2243966","23.5167","0.0019","16.1492","0.0014","24.0414","0.0018","90","","90","","90","","9130.3","1.3","193","2","193","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis{2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolato}palladium(II) bis(hexafluoridoantimonate) dichloromethane monosolvate)","","- C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 -","- C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 -","- C264 H352 Cl16 F96 N16 P16 Pd16 S16 Sb16 -","8","1","ZQ2270","Clerc, Arnaud; Saffon-Merceron, Nathalie; Monot, Julien; Martin Vaca, Blanca; Bourissou, Didier","Crystal structure of a dicationic Pd^II^ dimer containing a 2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolate pincer ligand","Acta Crystallographica Section E","2022","78","1","18","22","10.1107/S2056989021012561","","","0.71073","MoKα","","0.0959","0.0458","","","0.0928","0.1132","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","271671","2022-01-01","04:53:22",""
"2243967","7.3514","0.0004","11.5539","0.0007","41.397","0.003","90","","90","","90","","3516.2","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-((<i>E</i>)-2-{4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C160 H136 Cl8 N16 O24 -","8","1","YK2160","Daoui, Said; Muwafaq, Israa; Çınar, Emine Berrin; Abudunia, Abdulmalik; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid","Crystal structure and Hirshfeld surface analysis of 6-((<i>E</i>)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2022","78","1","8","11","10.1107/S205698902101238X","","","0.71073","MoKα","","0.1208","0.0602","","","0.1066","0.1276","","","","","","0.993","","","","has coordinates,has Fobs","271672","2022-01-01","04:54:41",""
"2243968","9.6963","0.0003","17.6307","0.0004","25.7044","0.0006","90","","90","","90","","4394.2","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(<i>R</i>*,<i>R</i>*)-2,2'-(1,4-Phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","(<i>R</i>,<i>R</i>)/(<i>S</i>,<i>S</i>)-2,2'-(1,4-Phenylene)bis(3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one)","","- C26 H24 N2 O2 S2 -","- C26 H24 N2 O2 S2 -","- C208 H192 N16 O16 S16 -","8","1","HB7986","Yennawar, Hemant P.; Medica, Joseph J.; Silverberg, Lee J.","Synthesis and crystal structure of racemic (<i>R</i>*,<i>R</i>*)-2,2'-(1,4-phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","Acta Crystallographica Section E","2021","77","12","1263","1266","10.1107/S2056989021011592","","","1.54184","CuKα","","0.043","0.0397","","","0.0995","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","271891","2022-01-06","23:01:17",""
"2244003","11.036","0.0018","10.1005","0.0016","19.291","0.003","90","","90","","90","","2150.4","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","","- C7 H16 Cl N3 O S -","- C7 H16 Cl N3 O S -","- C56 H128 Cl8 N24 O8 S8 -","8","1","HB8000","Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V.","Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000111","","","0.71073","MoKα","","0.0468","0.0302","","","0.0834","0.0874","","","","","","1.062","","","","has coordinates,has Fobs","272001","2022-01-12","02:51:55",""
"2244004","11.0924","0.0004","10.1898","0.0004","19.6434","0.0008","90","","90","","90","","2220.28","0.15","295","0.2","295","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","","- C7 H16 Cl N3 O S -","- C7 H16 Cl N3 O S -","- C56 H128 Cl8 N24 O8 S8 -","8","1","","Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V.","Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000111","","","0.71073","MoKα","","0.0686","0.0476","","","0.1118","0.1239","","","","","","1.052","","","","has coordinates,has Fobs","272001","2022-01-12","02:51:59",""
"2244006","9.5828","0.0004","8.8467","0.0003","17.64","0.0008","90","","90","","90","","1495.45","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MEA-dithiazine","2-(1,3,5-Dithiazinan-5-yl)ethanol","","- C5 H11 N O S2 -","- C5 H11 N O S2 -","- C40 H88 N8 O8 S16 -","8","1","HB8010","Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias","An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000342","","","0.71073","MoKα","","0.0209","0.0184","","","0.0519","0.0528","","","","","","1.055","","","","has coordinates,has Fobs","272050","2022-01-15","02:35:16",""
"2244007","9.716","0.0011","8.9709","0.001","17.8577","0.0017","90","","90","","90","","1556.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MEA-dithiazine","2-(1,3,5-Dithiazinan-5-yl)ethanol","","- C5 H11 N O S2 -","- C5 H11 N O S2 -","- C40 H88 N8 O8 S16 -","8","1","HB8010","Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias","An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000342","","","0.71073","MoKα","","0.0356","0.027","","","0.0694","0.0747","","","","","","1.022","","","","has coordinates,has Fobs","272050","2022-01-15","02:35:17",""
"2244010","11.6878","0.0004","18.0941","0.0006","26.9604","0.0008","90","","90","","90","","5701.6","0.3","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Methyl-2-(<i>p</i>-tolyl)-1-<i>H</i>-perimidine","","- C19 H16 N2 -","- C19 H16 N2 -","- C304 H256 N32 -","16","2","","Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I.","Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000287","","x-ray","0.71073","MoKα","","0.0982","0.0732","","","0.1475","0.1574","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","272052","2022-01-15","02:36:25",""
"2244049","10.0771","0.0003","16.0292","0.0005","17.8768","0.0006","90","","90","","90","","2887.6","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(Benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile","","- C14 H14 N2 S3 -","- C14 H14 N2 S3 -","- C112 H112 N16 S24 -","8","1","EX2055","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Gad, Nagwa M.; Jones, Peter G.","Crystal structure of 2-(benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002572","","","0.71073","MoKα","","0.0449","0.0322","","","0.0717","0.0773","","","","","","1.048","","","","has coordinates,has Fobs","273638","2022-03-11","03:14:29",""
"2244060","7.5884","0.0001","7.106","0.0001","43.2464","0.0007","90","","90","","90","","2331.98","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(1<i>H</i>-Indol-3-yl)-2,1,3-benzothiadiazole","5-[1-(Benzenesulfonyl)-1<i>H</i>-indol-3-yl]-2,1,3-benzothiadiazole","","- C14 H9 N3 S -","- C14 H9 N3 S -","- C112 H72 N24 S8 -","8","1","","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0397","0.035","","","0.094","0.0978","","","","","","1.07","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:25",""
"2244061","12.0256","0.0007","7.7396","0.0005","23.8551","0.0016","90","","90","","90","","2220.3","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1<i>H</i>-Indol-3-yl)-2,1,3-benzoxadiazole","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0829","0.0497","","","0.1151","0.1337","","","","","","1.063","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:25",""
"2244062","7.3003","0.0001","18.9557","0.0003","21.9045","0.0003","90","","90","","90","","3031.2","0.08","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","PRAAQ","1-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea","","- C18 H14 N2 O3 S -","- C18 H14 N2 O3 S -","- C144 H112 N16 O24 S8 -","8","1","ZN2016","Ifeanyieze, Kenechukwu J.; Ayiya, Bikimi B.; Okpareke, Obinna C.; Groutso, Tatiana V.; Asegbeloyin, Jonnie N.","Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022003127","","x-ray","1.54184","CuKα","","0.0506","0.0479","","","0.1417","0.1436","","","","","","1.129","","","","has coordinates","274094","2022-03-30","01:49:57",""
"2244086","13.229","0.001","10.5551","0.0007","17.8346","0.0013","90","","90","","90","","2490.3","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Baeocystin","3-[2-(Methylazaniumyl)ethyl]-1<i>H</i>-indol-4-yl hydrogen phosphate","","- C11 H15 N2 O4 P -","- C11 H15 N2 O4 P -","- C88 H120 N16 O32 P8 -","8","1","HB8018","Naeem, Marilyn; Sherwood, Alexander M.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystal structure of baeocystin","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004467","","","0.71073","MoKα","","0.0483","0.0371","","","0.0888","0.0964","","","","","","1.071","","","","has coordinates,has Fobs","275186","2022-05-07","01:45:32",""
"2244104","11.0812","0.0002","7.63258","0.00017","23.7986","0.0005","90","","90","","90","","2012.84","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate","","- C14 H26 Ni O14 -","- C14 H26 Ni O14 -","- C56 H104 Ni4 O56 -","4","0.5","YZ2020","Ruzmetov, Abror; Ibragimov, Aziz; Ashurov, Jamshid; Boltaeva, Zebo; Ibragimov, Bakhtiyar; Usmanov, Sultan","Synthesis, crystal structure and Hirshfeld surface analysis of hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate","Acta Crystallographica Section E","2022","78","6","","","10.1107/S205698902200531X","","","1.54184","CuKα","","0.04","0.0338","","","0.0964","0.1012","","","","","","1.05","","","","has coordinates,has Fobs","275637","2022-05-25","01:56:36",""
"2244118","19.998","0.003","9.7472","0.0009","23.54","0.003","90","","90","","90","","4588.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C208 H240 N16 O32 -","8","1","JQ2018","Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael","Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022006508","","","0.71073","MoKα","","0.1354","0.0601","","","0.09","0.1086","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","276377","2022-06-29","01:55:26",""
"2244130","6.6579","0.0001","15.7683","0.0003","29.0301","0.0006","90","","90","","90","","3047.69","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(4-Bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene","","- C14 H8 Br3 N3 O2 -","- C14 H8 Br3 N3 O2 -","- C112 H64 Br24 N24 O16 -","8","1","YK2172","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gülnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of a new polymorph of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007113","","","0.71073","MoKα","","0.0337","0.0244","","","0.0596","0.064","","","","","","1.047","","","","has coordinates,has Fobs","276900","2022-07-23","04:09:23",""
"2244151","9.388","0.0009","12.226","0.0012","28.693","0.003","90","","90","","90","","3293.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate","","- C17 H14 Br N3 O4 -","- C17 H14 Br N3 O4 -","- C136 H112 Br8 N24 O32 -","8","1","YK2174","Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008271","","","0.745","synchrotron","","0.048","0.0448","","","0.0893","0.0908","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","277423","2022-08-27","02:37:20",""
"2244201","12.0297","0.0007","14.6357","0.0007","32.763","0.002","90","","90","","90","","5768.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis-TMP naphthalimide","2-(2,2,6,6-Tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","","- C30 H42 N4 O2 -","- C30 H42 N4 O2 -","- C240 H336 N32 O16 -","8","1","MW2192","Pollock, Alicia A.; Huther, Holly A.; Birch, Cole M.; Reinheimer, Eric W.; Lewis, David E.; Gerlach, Deidra L.","Crystal structure of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010374","","","0.71073","MoKα","","0.0691","0.0488","","","0.1282","0.1415","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","278898","2022-11-01","12:24:23",""
"2244218","7.84","0.07","16","0.2","18.51","0.12","90","","90","","90","","2322","4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione","","- C14 H10 S2 -","- C14 H10 S2 -","- C112 H80 S16 -","8","1","YK2177","Brown, Loren C.; Ghiassi, Kamran B.; Fulton, Ashley C.; Thum, Matthew","Crystal structure of dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010532","","","0.71076","MoKα","","0.0508","0.036","","","0.081","0.0875","","","","","","1.042","","","","has coordinates,has Fobs","279232","2022-11-11","03:06:46",""
"2244235","9.8201","0.0009","9.0067","0.0007","26.995","0.002","90","","90","","90","","2387.6","0.3","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzyloxyindole","4-Phenoxy-1<i>H</i>-indole","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0543","0.0453","","","0.1041","0.1102","","","","","","1.11","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244238","8.4065","0.0005","14.3944","0.0009","19.8501","0.001","90","","90","","90","","2402","0.2","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hydroxy-<i>N</i>-isopropyltryptamine","3-[2-(Propan-2-ylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C104 H144 N16 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0537","0.0453","","","0.1097","0.1156","","","","","","1.075","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2300248","18.8679","0.0002","6.94772","0.00009","6.85885","0.0001","90","","90","","90","","899.12","0.02","","","","","","","","","","","","1","P b c a","-P 2ac 2ab","61","","","","- D -","- D -","- D4 -","4","0.5","","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.","Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa","Journal of Applied Crystallography","2009","42","5","846","866","10.1107/S0021889809027897","powder diffraction","","","","","","","","","","","","","","","","","","","","","176809","2020-10-21","18:00:00",""
"2300260","11.0232","0.00007","7.66076","0.00006","7.59127","0.00006","90","","90","","90","","641.053","0.008","4.2","","","","","","","","","","Aldrich ND3 (99 atom % D), Aldrich CD3OD (99.8 atom % D)","4","P b c a","-P 2ac 2ab","61","methanol mono-ammoniate","methanol mono-ammoniate","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2009","42","6","1054","1061","10.1107/S0021889809035705","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300261","11.21169","0.00005","7.74663","0.00004","7.68077","0.00005","90","","90","","90","","667.096","0.006","180","","","","","","","","","","Aldrich ND3 (99 atom % D), Aldrich CD3OD (99.8 atom % D)","4","P b c a","-P 2ac 2ab","61","methanol mono-ammoniate","methanol mono-ammoniate","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2009","42","6","1054","1061","10.1107/S0021889809035705","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300266","11.0386","0.0004","7.65471","0.00034","7.58467","0.00033","90","","90","","90","","640.88","0.05","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2010","43","2","328","336","10.1107/S0021889810005595","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300268","11.20962","0.00025","7.74564","0.00024","7.6781","0.00022","90","","90","","90","","666.66","0.03","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2010","43","2","328","336","10.1107/S0021889810005595","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300372","15.4307","0.0009","10.2659","0.0005","16.4124","0.0009","90","","90","","90","","2599.9","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","RG5013","Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P.","Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one","Journal of Applied Crystallography","2012","45","5","914","920","10.1107/S0021889812030403","","","0.71073","MoKα","","0.0632","0.0403","","","0.1129","0.1295","","","","","","1.069","","","","has coordinates,has Fobs","201980","2020-10-21","18:00:00",""
"2300489","8.439","0.002","10.559","0.002","13.807","0.003","90","","90","","90","","1230.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0186","0.0136","","","0.0239","0.0248","","","","","","1.156","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300490","8.442","0.002","10.569","0.002","13.816","0.003","90","","90","","90","","1232.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0172","0.015","","","0.0321","0.0326","","","","","","1.175","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300661","4.5251","0.0004","13.7555","0.001","23.9096","0.0016","90","","90","","90","","1488.3","0.2","298","","298","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Iron carbide","","- C6 Fe14 -","- C6.00009 Fe14 -","- C48.0007 Fe112 -","8","1","GJ5230","Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry","Formation of two crystal modifications of Fe7C3−x at 5.5 GPa","Journal of Applied Crystallography","2019","52","6","1378","","10.1107/S1600576719013347","","x-ray","0.71073","MoKα","","0.1256","0.0591","","","0.1778","0.2259","","","","","","1.0988","","","","has coordinates,has disorder","246054","2020-10-21","18:00:00",""
"2300662","11.9698","0.0006","4.524","0.0002","13.7658","0.0006","90","","90","","90","","745.44","0.06","298","","298","","","","","","","","","2","P b c a","-P 2ac 2ab","61","iron carbide","iron carbide","","- C6 Fe14 -","- C6 Fe14 -","- C24 Fe56 -","4","0.5","GJ5230","Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry","Formation of two crystal modifications of Fe7C3−x at 5.5 GPa","Journal of Applied Crystallography","2019","52","6","1378","","10.1107/S1600576719013347","","","0.71073","MoKα","","0.0278","0.0245","","","0.0642","0.0663","","","","","","1.093","","","","has coordinates","246054","2020-10-21","18:00:00",""
"2300700","12.0252","0.0013","11.9873","0.0014","6.8715","0.0006","90","","90","","90","","990.52","0.18","293","","293","","","","100","","","","","4","P b c a","-P 2ac 2ab","61","Barium Zinc Carbodiimide","","","- C2 Ba N4 Zn -","- C2 Ba N4 Zn -","- C16 Ba8 N32 Zn8 -","8","1","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.09857","","0.99999","","0.043","","","","","","","has coordinates","285062","2023-07-06","18:22:13",""
"2300701","11.9532","0.0012","11.9452","0.0012","6.8555","0.0006","90","","90","","90","","978.85","0.16","293","","293","","","","100","","","","","4","P b c a","-P 2ac 2ab","61","Barium Zinc Carbodiimide","","","- C2 Ba N4 Zn -","- C2 Ba N4 Zn -","- C16 Ba8 N32 Zn8 -","8","1","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.01739","","0.02907","","1.711","","","","","","","has coordinates","285062","2023-07-06","18:22:14",""
"2300716","8.441","0.002","10.569","0.002","13.799","0.003","90","","90","","90","","1231","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0192","0.0165","","","0.0332","0.0337","","","","","","1.261","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300717","8.434","0.002","10.553","0.002","13.792","0.003","90","","90","","90","","1227.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0228","0.02","","","0.0449","0.0456","","","","","","1.273","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2310110","8.21","","8.7","","14.18","","90","","90","","90","","1012.84","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cd (B4 O7)","","- B4 Cd O7 -","- B4 Cd O7 -","- B32 Cd8 O56 -","8","1","","Krogh-Moe, J.; Ihara, M.","The crystal structure of cadmium diborate, Cd O (B2 O3)2","Acta Crystallographica (1,1948-23,1967)","1966","20","","132","134","10.1107/S0365110X66000239","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310222","12.497","","9.21","","9.325","","90","","90","","90","","1073.28","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","0.5","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310363","13.461","","7.783","","15.967","","90","","90","","90","","1672.81","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cd (S C (N H2)2) S O4 (H2 O)2","","- C H4 Cd N2 O6 S2 -","- C H4 Cd N2 O6 S2 -","- C8 H32 Cd8 N16 O48 S16 -","8","1","","Cavalca, L.; Domiano, P.; Gasparri, G.F.; Boldrini, P.","The Crystal Structure of Monothiourea-cadmium Sulphate Dihydrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","878","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310375","8.56","","6.87","","12.84","","90","","90","","90","","755.084","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S (C N)2","","- C2 N2 S -","- C2 N2 S -","- C16 N16 S8 -","8","1","","Emerson, K.","The Crystal and Molecular Structure of Sulfur Dicyanide","Acta Crystallographica (1,1948-23,1967)","1966","21","","970","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310589","5.46","","5.541","","7.531","","90","","90","","90","","227.842","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd S2 -","- Pd S2 -","- Pd4 S8 -","4","0.5","","Gronvold, F.; Rost, E.","The crystal structure of Pd Se2 and Pd S2","Acta Crystallographica (1,1948-23,1967)","1957","10","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310622","7.418","","11.702","","14.745","","90","","90","","90","","1279.95","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 O (B2 O3)5","","- B10 K2 O16 -","- B10 K2 O16 -","- B40 K8 O64 -","4","0.5","","Krogh-Moe, J.","Least-squares refinement of the crystal structure of potassium pentaborate","Acta Crystallographica (1,1948-23,1967)","1965","18","","1088","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","151162","2020-10-21","18:00:00",""
"2310632","14.314","","6.779","","5.086","","90","","90","","90","","493.518","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na As O2","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","","Menary, J.W.","The Crystal Structure of Sodium Polymetaarsenite (Na As O2)X","Acta Crystallographica (1,1948-23,1967)","1958","11","","742","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310655","5.635","","6.285","","9.919","","90","","90","","90","","351.291","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","0.5","","Roof, R.B.jr.; Cromer, D.T.; Larson, A.C.","The crystal structure of uranyl dihydroxide, U O2 (O H)2","Acta Crystallographica (1,1948-23,1967)","1964","17","","701","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311071","18.227","","8.819","","5.179","","90","","90","","90","","832.493","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Sasaki, S.; Fujino, K.; Takeuchi, Y.; Sadanaga, R.","On the estimation of atomic charges by the X-ray method for some oxides and silicates","Acta Crystallographica A (24,1968-38,1982)","1980","36","","904","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311074","8.22","","8.11","","9.31","","90","","90","","90","","620.644","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(H3 N) (B F3)","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Hoard, J.L.; Geller, S.; Cashin, W.M.","Structures of molecular addition compounds. III.ammonia-boron trifluoride, H3 N B F3","Acta Crystallographica (1,1948-23,1967)","1951","4","","396","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311094","7.52","0.0001","9.3837","0.0001","30.712","0.0005","90","","90","","90","","2167.21","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-5-Phenyl-pent-1-enyl-boronic acid","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C88 H120 B8 O16 -","8","1","","Fournier, Bertrand; Guillot, Beno\?ît; Lecomte, Claude; Escudero-Adán, Eduardo C.; Jelsch, Christian","A method to estimate statistical errors of properties derived from charge-density modelling","Acta Crystallographica Section A","2018","74","3","170","183","10.1107/S2053273318004308","","","0.71073","MoKα","","0.0351","0.0257","","","0.0375","0.0393","","","","","","0.952","","","","has coordinates,has Fobs","207651","2020-10-21","18:00:00",""
"2311170","9.4952","0.0009","7.4845","0.0007","34.692","0.003","90","","90","","90","","2465.5","0.4","150","","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Phenyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C104 H120 N24 S8 -","8","1","TK5237","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.5]dec-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1259","","10.1107/S1600536813019120","","","0.71073","MoKα","","0.0458","0.0415","","","0.1016","0.1044","","","","","","1.099","","","","has coordinates","245642","2020-10-21","18:00:00",""
"2311178","19.4157","0.0005","7.6564","0.0002","27.404","0.0007","90","","90","","90","","4073.72","0.18","273","","273","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[4-(4-Methoxyphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl][4-(trifluoromethyl)phenyl]methanone","","- C23 H15 F3 N2 O2 S -","- C23 H15 F3 N2 O2 S -","- C184 H120 F24 N16 O16 S8 -","8","1","SU2625","Pampa, K. J.; Abdoh, M. M. M.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","[4-(4-Meth-oxy-phen-yl)-2-(pyridin-3-yl)-1,3-thia-zol-5-yl][4-(tri-fluoro-meth-yl)phen-yl]methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1434","","10.1107/S1600536813021259","","","1.54178","CuKα","","0.0568","0.0551","","","0.1597","0.1621","","","","","","1.051","","","","has coordinates","245650","2020-10-21","18:00:00",""
"2311191","7.7043","0.0004","16.377","0.0008","17.7482","0.0009","90","","90","","90","","2239.3","0.2","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Hydroxy-3-methylphenyl)(phenyl)methanone","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","IS5303","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Shaukath, A. K.; Sridhar, M. A.","(4-Hy-droxy-3-methyl-phen-yl)(phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1550","","10.1107/S160053681302521X","","","1.54178","CuKα","","0.0538","0.0455","","","0.1227","0.1289","","","","","","1.025","","","","has coordinates","245663","2020-10-21","18:00:00",""
"2311193","14.2855","0.0015","13.7461","0.0012","18.4","0.002","90","","90","","90","","3613.2","0.6","123","","123.3","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(2-Hydroxy-6-oxocyclohex-1-enyl)-9,10-dihydro-8<i>H</i>-benzo[<i>a</i>]xanthen-11(12<i>H</i>)-one","","- C23 H20 O4 -","- C23 H20 O4 -","- C184 H160 O32 -","8","1","SJ5351","Akkurt, Mehmet; Mohamed, Shaaban K.; Kennedy, Alan R.; Abdelhamid, Antar A.; Miller, Gary J.; Albayati, Mustafa R.","12-(2-Hy-droxy-6-oxo-cyclo-hex-1-en-yl)-9,10-di-hydro-8H-benzo[a]xanthen-11(12H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1558","9","10.1107/S1600536813025324","","","0.7107","MoKα","","0.0752","0.0511","","","0.102","0.1142","","","","","","1.037","","","","has coordinates,has disorder","245665","2020-10-21","18:00:00",""
"2311195","16.0231","0.0004","7.4216","0.0002","19.6843","0.0005","90","","90","","90","","2340.8","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Chloro-2-(2-chlorobenzoyl)phenol","","- C13 H8 Cl2 O2 -","- C13 H8 Cl2 O2 -","- C104 H64 Cl16 O16 -","8","1","TK5253","Bushra Begum, A.; Madan Kumar, S.; Manjunath, B. C.; Khanum, Shaukath Ara; Lokanath, N. K.","4-Chloro-2-(2-chloro-benzoyl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1568","","10.1107/S1600536813025609","","","1.54178","CuKα","","0.0799","0.0371","","","0.0995","0.1045","","","","","","1.058","","","","has coordinates","245667","2020-10-21","18:00:00",""
"2311214","5.9396","0.0006","12.3808","0.0015","30.522","0.003","90","","90","","90","","2244.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Fluorophenyl)(2-hydroxy-5-methylphenyl)methanone","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C112 H88 F8 O16 -","8","1","HB7191","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.","(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o286","","10.1107/S1600536814001883","","","1.54178","CuKα","","0.0541","0.0471","","","0.1288","0.1348","","","","","","1.057","","","","has coordinates","245687","2020-10-21","18:00:00",""
"2311221","11.714","0.003","8.43","0.002","33.872","0.008","90","","90","","90","","3344.8","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(Furan-2-yl)methylidene]-2-[4-(2-methylpropyl)phenyl]propanohydrazide","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","1","HG5385","Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; Albayati, Mustafa R.; Younes, Sabry H. H.","N'-[(E)-(Furan-2-yl)methyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o356","","10.1107/S1600536814003936","","","0.71073","MoKα","","0.1219","0.0769","","","0.2012","0.2476","","","","","","1.012","","","","has coordinates","245694","2020-10-21","18:00:00",""
"2311245","9.2292","0.0009","9.8117","0.001","25.347","0.002","90","","90","","90","","2295.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(Trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","LH5706","Krishnamurthy, M. S.; Begum, Noor Shahina","2-[4-(Tri-fluoro-meth-yl)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o760","","10.1107/S1600536814012963","","","0.71073","MoKα","","0.0911","0.0563","","","0.1365","0.1591","","","","","","0.898","","","","has coordinates","245718","2020-10-21","18:00:00",""
"2311283","7.754","0.002","11.346","0.003","21.187","0.006","90","","90","","90","","1864","0.9","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-2-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","LH5765","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o474","","10.1107/S2056989015010865","","","0.71073","MoKα","","0.1347","0.0626","","","0.1465","0.1843","","","","","","1.025","","","","has coordinates","245756","2020-10-21","18:00:00",""
"2311302","12.218","0.003","7.332","0.002","30.923","0.008","90","","90","","90","","2770.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","1","HB7483","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o762","3","10.1107/S2056989015016217","","","0.71073","MoKα","","0.0917","0.0583","","","0.1381","0.1732","","","","","","1.185","","","","has coordinates","245775","2020-10-21","18:00:00",""
"2311328","8.8287","0.0003","14.2531","0.0005","33.1222","0.0011","90","","90","","90","","4168","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C23 H24 Br N O5 -","- C23 H24 Br N O5 -","- C184 H192 Br8 N8 O40 -","8","1","WM5239","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Abdelhamid, Antar A.; Tamam, Asmaa H.; Albayati, Mustafa R.","Crystal structure of ethyl 2-[9-(5-bromo-2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o989","90","10.1107/S2056989015022240","","","0.71073","MoKα","","0.096","0.0589","","","0.1333","0.1529","","","","","","1.016","","","","has coordinates","245798","2020-10-21","18:00:00",""
"2311340","9.4578","0.0002","19.291","0.0006","22.2114","0.0005","90","","90","","90","","4052.48","0.18","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(η^5^-cyclopentadienyl)(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylpropynamidinato-κ^2^<i>N</i>,<i>N</i>')ytterbium(III)","","- C22 H29 N2 Yb -","- C22 H29 N2 Yb -","- C176 H232 N16 Yb8 -","8","1","ZL2671","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0291","0.0184","","","0.0379","0.0399","","","","","","0.976","","","","has coordinates","245808","2020-10-21","18:00:00",""
"2311392","12.9983","0.0007","15.2709","0.001","15.5153","0.001","90","","90","","90","","3079.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')gold(III) hexafluoridophosphate","","- C12 H8 Au Cl2 F6 N2 P -","- C12 H8 Au Cl2 F6 N2 P -","- C96 H64 Au8 Cl16 F48 N16 P8 -","8","1","WM5398","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo","Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')gold(III) hexa-fluorido-phosphate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1048","1051","10.1107/S2056989017008763","","","0.71073","MoKα","","0.0273","0.019","","","0.0381","0.0399","","","","","","1.007","","","","has coordinates","245848","2020-10-21","18:00:00",""
"2311473","15.7473","0.0014","7.3042","0.0005","22.7257","0.0019","90","","90","","90","","2613.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-{(1<i>E</i>)-[(4-Hydroxyphenyl)iminio]methyl}naphthalen-2-olate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","EX2001","Devika, Bhai R.; Girija, C. R.; Shalini, Suresh; Jotani, Mukesh M.; Tiekink, Edward R. T.","Zwitterionic 1-{(1<i>E</i>)-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1674","1678","10.1107/S205698901701458X","","","0.71073","MoKα","","0.0704","0.0407","","","0.0968","0.115","","","","","","1.043","","","","has coordinates","245910","2020-10-21","18:00:00",""
"2311498","12.3538","0.0006","18.7727","0.001","23.4056","0.0012","90","","90","","90","","5428.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)","","- C14 H19 B N2 O -","- C14 H19 B N2 O -","- C224 H304 B16 N32 O16 -","16","2","LH5853","Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1747","1750","10.1107/S2056989017015171","","","1.54178","CuKα","","0.0569","0.0467","","","0.1327","0.1443","","","","","","1.084","","","","has coordinates","245933","2020-10-21","18:00:00",""
"2311499","7.9407","0.0014","12.293","0.002","18.0684","0.0019","90","","90","","90","","1763.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Cadmium Pentaborate","Trisodium zinc cadmium pentaborate","","- B5 Cd0.09 Na3 O10 Zn0.91 -","- B5 Cd0.088 Na3 O10 Zn0.912 -","- B40 Cd0.704 Na24 O80 Zn7.296 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.0943","0.0374","","","0.0673","0.0723","","","","","","0.911","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311500","7.8931","0.0012","12.2555","0.0012","18.0874","0.0011","90","","90","","90","","1749.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Magnesium Pentaborate","Trisodium zinc magnesium pentaborate","","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B40 Mg1.24 Na24 O80 Zn6.76 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.109","0.0441","","","0.1047","0.113","","","","","","0.872","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311504","10.3615","0.0003","13.8916","0.0006","20.2121","0.0008","90","","90","","90","","2909.29","0.19","295","2","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-1-(3-phenoxypropyl)pyridinium bromide","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C120 H144 Br8 N8 O8 -","8","1","","Said, Musa A.; Aouad, Mohamed R.; Hughes, David L.; Almehmadi, Meshal A.; Messali, Mouslim","Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1831","1834","10.1107/S2056989017015481","","","0.71073","Mo-Kα","","0.0561","0.045","","","0.0827","0.0865","","","","","","1.199","","","","has coordinates","245939","2020-10-21","18:00:00",""
"2311538","19.5319","0.0004","26.6614","0.0004","19.8681","0.0003","90","","90","","90","","10346.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(3,5-diisopropyl-1<i>H</i>-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)","","- C45 H78 B Eu I N10 -","- C45 H78 B Eu I N10 -","- C360 H624 B8 Eu8 I8 N80 -","8","1","ZL2718","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.0455","0.0313","","","0.0592","0.0631","","","","","","1.04","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311552","21.7698","0.0004","10.7768","0.0002","22.2272","0.0004","90","","90","","90","","5214.7","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(pyridine-3-carbonitrile-κ<i>N</i>^1^)trizinc(II)","","- C54 H38 N4 O12 Zn3 -","- C54 H38 N4 O12 Zn3 -","- C216 H152 N16 O48 Zn12 -","4","0.5","NK2240","Hökelek, Tuncer; Özbek, Elif; Sertçelik, Mustafa; Şahin Yenice, Çiğdem; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of hexa-kis-(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(pyridine-3-carbo-nitrile-κ<i>N</i><sup>1</sup>)trizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1966","1970","10.1107/S2056989017016899","","","0.71073","MoKα","","0.0836","0.0605","","","0.1219","0.1357","","","","","","1.252","","","","has coordinates","245975","2020-10-21","18:00:00",""
"2311566","13.75102","0.00008","9.50887","0.00005","9.06168","0.00005","90","","90","","90","","1184.88","0.011","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Calcium perchlorate anhydrate","Calcium bis(perchlorate)","","- Ca Cl2 O8 -","- Ca Cl2 O8 -","- Ca8 Cl16 O64 -","8","1","WM5437","Lee, Dongmin; Bu, Hyeri; Kim, Dohwan; Hyoung, Jooeun; Hong, Seung-Tae","Crystal structure of calcium perchlorate anhydrate, Ca(ClO<sub>4</sub>)<sub>2</sub>, from laboratory powder X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","514","517","10.1107/S2056989018003936","powder diffraction","","1.5405","Cukα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","245988","2020-10-21","18:00:00",""
"2311648","11.6515","0.0003","7.4209","0.0002","61.8325","0.0018","90","","90","","90","","5346.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NF naphthalene-2-sulfonicate","","","- C26 H23 F N3 O10 S -","- C26 H23 F N3 O10 S -","- C208 H184 F8 N24 O80 S8 -","8","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.1241","0.0679","","","0.1431","0.1643","","","","","","1.115","","","","has coordinates,has disorder","246069","2020-10-21","18:00:00",""
"2311656","10.219","0.003","8.26","0.003","17.923","0.005","90","","90","","90","","1512.9","0.8","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dibenzyl succinate","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0548","0.0501","","","0.128","0.1316","","","","","","1.075","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311678","10.1389","0.0007","7.5691","0.0005","27.0498","0.0015","90","","90","","90","","2075.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C88 H72 Br8 N16 O8 -","8","1","","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.0426","0.0323","","","0.071","0.0759","","","","","","1.066","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311690","7.0603","0.0011","9.2687","0.0012","29.062","0.004","90","","90","","90","","1901.8","0.5","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C64 H120 N8 O24 -","8","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.0368","","","","0.1066","","","","","","1.062","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311691","11.6067","0.0006","12.8312","0.0005","13.3226","0.0005","90","","90","","90","","1984.11","0.15","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C64 H120 N8 O24 -","8","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.036","","","","0.0997","","","","","","1.063","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311795","6.8597","0.0005","13.9425","0.001","26.7054","0.0019","90","","90","","90","","2554.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2a","","","- C10 H11 Br2 Hg N O2 -","- C10 H11 Br2 Hg N O2 -","- C80 H88 Br16 Hg8 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0419","0.0289","","","0.0471","0.0511","","","","","","1.08","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311797","7.0546","0.0014","14.2685","0.0016","27.4248","0.0019","90","","90","","90","","2760.5","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C10 H11 Hg I2 N O2 -","- C10 H11 Hg I2 N O2 -","- C80 H88 Hg8 I16 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0555","0.0436","","","0.094","0.0988","","","","","","1.089","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311819","13.382","0.001","8.8183","0.0008","23.275","0.002","90","","90","","90","","2746.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzoyl-2-(4-hydroxybenzylidene)hydrazone methanol monosolvate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0597","0.032","","","0.068","0.0731","","","","","","0.803","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311837","7.5567","0.0003","11.4589","0.0005","24.9006","0.0011","90","","90","","90","","2156.18","0.16","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-(2-Chlorophenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C11 H8 Cl N3 S -","- C11 H8 Cl N3 S -","- C88 H64 Cl8 N24 S8 -","8","1","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0364","0.0315","","","0.0814","0.0859","","","","","","1.056","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311843","15.0721","0.0004","11.3109","0.0003","19.4443","0.0004","90","","90","","90","","3314.85","0.14","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4-(Diethylamino)benzyl]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0788","0.0483","","","0.1202","0.1348","","","","","","1.047","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311844","9.8128","0.0002","10.0235","0.0002","30.4669","0.0006","90","","90","","90","","2996.68","0.1","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-5-(2,4,6-trimethoxybenzyl)-1,3-dioxane-4,6-dione","","- C16 H20 O7 -","- C16 H20 O7 -","- C128 H160 O56 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0689","0.0421","","","0.0942","0.1052","","","","","","0.997","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311902","12.5854","0.001","10.0901","0.0007","19.8568","0.0016","90","","90","","90","","2521.6","0.3","293.15","0.02","293.15","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Diaminopyridine‒piracetam (1/1)","2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C88 H136 N40 O16 -","8","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0619","0.0561","","","0.13","0.136","","","","","","1.191","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311941","7.7401","0.0002","16.5086","0.0004","28.3013","0.0007","90","","90","","90","","3616.29","0.16","295","0.1","295","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum","","- C16 H16 Cl2 F4 N2 O2 Pd -","- C16 H16 Cl2 F4 N2 O2 Pd -","- C128 H128 Cl16 F32 N16 O16 Pd8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0298","0.022","","","0.0471","0.0507","","","","","","1.079","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311942","7.7215","0.0002","16.5892","0.0004","28.1692","0.0007","90","","90","","90","","3608.29","0.16","100","0.2","100","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 F4 N2 O2 Pt -","- C16 H16 Cl2 F4 N2 O2 Pt -","- C128 H128 Cl16 F32 N16 O16 Pt8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0245","0.0204","","","0.0416","0.0431","","","","","","1.115","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2312050","15.5785","0.0008","16.4215","0.0007","18.3126","0.0009","90","","90","","90","","4684.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-2-(thiophen-2-yl)vinyl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C30 H20 Br N O S -","- C30 H20 Br N O S -","- C240 H160 Br8 N8 O8 S8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0526","0.0401","","","0.0935","0.1012","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","282416","2023-04-05","15:37:06",""
"2312073","11.3725","0.0008","7.8492","0.0005","39.286","0.002","90","","90","","90","","3506.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Methylbenzyl)oxy]-<i>N</i>'-[(thiophen-2-yl)methylidene]benzohydrazide","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C160 H144 N16 O16 S8 -","8","1","WM5671","Banna, Md Hasan Al; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Ansary, Md Rezaul Haque; Zangrando, Ennio","Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its <i>N</i>'-[(thio-phen-2-yl)-methyl-idene]- derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","207","211","10.1107/S2056989023001354","","","0.71075","MoKα","","0.1531","0.0782","","","0.1693","0.201","","","","","","1.022","","","","has coordinates,has Fobs","282428","2023-04-05","16:07:50",""
"2312074","11.874","0.004","19.579","0.007","24.374","0.009","90","","90","","90","","5666","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,6-Diisopropyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3]dithiepin-4-yl)(phenyl)methanol atropisomer","","- C34 H32 O S2 -","- C34 H32 O S2 -","- C272 H256 O8 S16 -","8","1","HB8055","Beare, Neil; Painter, Gavin F.; McAdam, C. John","Syntheses and crystal structure of a (2,6-diiso-propyldi-naphtho-[2,1-<i>d</i>:1',2'-<i>f</i>][1,3]dithiepin-4-yl)(phen-yl)methanol atropisomer.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","241","245","10.1107/S2056989023001706","","","0.71073","MoKα","","0.1169","0.0498","","","0.0986","0.127","","","","","","1.061","","","","has coordinates,has Fobs","282429","2023-04-05","16:08:23",""
"2312089","11.1747","0.0004","10.485","0.0004","20.1368","0.0008","90","","90","","90","","2359.36","0.15","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Piperidine-1-sulfonyl)aniline","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0348","0.0293","","","0.0818","0.0868","","","","","","1.046","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312103","17.8598","0.0008","15.0255","0.0007","33.92","0.002","90","","90","","90","","9102.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-({[2-(Dimethylamino-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C23 H23 Cl Cu N4 O5 -","- C23 H23 Cl Cu N4 O5 -","- C368 H368 Cl16 Cu16 N64 O80 -","16","2","DJ2061","Mamindla, Anjaneyulu; Varadhan, Manikandan; Velusamy, Marappan; Ulaganathan, Venkatasubramanian; Rajendiran, Venugopal","Crystal structure of [2-({[2-(dimethylamino-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phen-anthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>')copper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","259","263","10.1107/S2056989023001767","","","0.71073","MoKα","","0.0891","0.0535","","","0.1121","0.1298","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","283566","2023-05-06","10:21:17",""
"2312105","11.1351","0.0001","17.0545","0.0002","19.9131","0.0003","90","","90","","90","","3781.57","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","/ (2^2^<i>RS</i>,2^3^<i>SR</i>,2^5^<i>RS</i>,2^6^<i>SR</i>)-\ 2^3^,2^5^,5-trimethyl-2^1^-(2,2,2-\ trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-\ 2^4^-one","","- C20 H21 F3 N2 O4 -","- C20 H21 F3 N2 O4 -","- C160 H168 F24 N16 O32 -","8","1","TX2063","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Ershova, Anastasia A.; Grigoriev, Mikhail S.; Rocha, Bruno G. M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (2<sup>2</sup> <i>RS</i>,2<sup>3</sup> <i>SR</i>,2<sup>5</sup> <i>RS</i>,2<sup>6</sup> <i>SR</i>)-2<sup>3</sup>,2<sup>5</sup>,5-trimethyl-2<sup>1</sup>-(2,2,2-tri-fluoro-acet-yl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di-furana-cyclo-hexa-phan-2<sup>4</sup>-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","292","296","10.1107/S2056989023001986","","","1.54184","CuKα","","0.0389","0.0368","","","0.1005","0.1022","","","","","","1.034","","","","has coordinates,has Fobs","283568","2023-05-06","10:23:22",""
"2312135","14.1807","0.0006","7.4675","0.0003","20.0702","0.0008","90","","90","","90","","2125.32","0.15","293","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3-(Dihydroxyboryl)anilinium bisulfate monohydrate","3-(Dihydroxyboryl)anilinium hydrogen sulfate monohydrate","","- C6 H12 B N O7 S -","- C6 H12 B N O7 S -","- C48 H96 B8 N8 O56 S8 -","8","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0536","0.0512","","","0.1343","0.1379","","","","","","1.081","","","","has coordinates","284685","2023-06-29","15:27:41",""
"2312303","10.6328","0.0005","8.5651","0.0005","23.8669","0.0013","90","","90","","90","","2173.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dopamine ethanedisulfonate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium ethane-1,2-disulfonate","","- C18 H28 N2 O10 S2 -","- C18 H28 N2 O10 S2 -","- C72 H112 N8 O40 S8 -","4","0.5","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0479","0.0409","","","0.1234","0.1342","","","","","","1.138","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:56",""
"2312420","8.5626","0.0016","18.701","0.004","19.024","0.004","90","","90","","90","","3046.3","1.1","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H12 N6 -","- C17 H12 N6 -","- C136 H96 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.1252","0.05","","","0.1115","0.1349","","","","","","0.918","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:11",""
"2312424","15.7069","0.001","11.8266","0.0011","17.5763","0.0012","90","","90","","90","","3265","0.4","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methylphenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C18 H14 N6 -","- C18 H14 N6 -","- C144 H112 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0843","0.0542","","","0.1435","0.157","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","290475","2024-03-13","03:08:16",""
"2312431","7.2034","0.0003","5.961","0.0002","37.6935","0.0012","90","","90","","90","","1618.54","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0678","0.0636","","","0.1825","0.186","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","290606","2024-03-23","03:02:08",""
"2312434","7.1094","0.0002","5.9629","0.0002","29.6773","0.0008","90","","90","","90","","1258.1","0.06","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0388","0.035","","","0.095","0.0997","","","","","","1.056","","","","has coordinates,has Fobs","290606","2024-03-23","03:02:09",""
"2312476","21.4196","0.0008","6.1927","0.0002","21.9265","0.0008","90","","90","","90","","2908.44","0.18","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetranitro-4,4'-bipyrazole tetrahydrate","","- C6 H10 N8 O12 -","- C6 H10 N8 O12 -","- C48 H80 N64 O96 -","8","1","VP3035","Domasevitch, Kostiantyn V.; Krautscheid, Harald","Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003346","","x-ray","1.54186","CuKα","","0.049","0.0352","","","0.0857","0.0923","","","","","","0.903","","","","has coordinates,has Fobs","291377","2024-04-27","01:47:08",""
"3000047","13.8462","0.0011","15.3234","0.0012","34.197","0.003","90","","90","","90","","7255.6","1","","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C40 H38 B2 F8 P2 -","","","","","","Samantha Kruse; Stephanie Hurst","Rapid one-pot synthesis of cycloheptatrienyl-phosphonium derivatives","To be published in Tetrahedron Letters","","","","","","","","","0.71073","MoKα","","0.06","0.0412","","","0.0951","0.1058","","","","","","1.0479","","","","","136327","2020-10-21","18:00:00","2015-10-13"
"3000220","14.3058","0.0009","7.1686","0.0004","30.771","0.002","90","","90","","90","","3155.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N5 O -","- C6 H9 N5 O -","- C96 H144 N80 O16 -","16","2","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0603","0.0453","","","0.1031","0.1099","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","274292","2022-04-04","05:56:25",""
"3000232","4.9236","","5.0143","","10.3174","","90","","90","","90","","254.72","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","Zn2SiO4","","Zn2SiO4 with Ca2RuO4 structure","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 with Ca2RuO4 structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215367","2020-10-21","18:00:00","2020-04-22"
"3000239","10.8823","","9.7025","","6.0886","","90","","90","","90","","642.868","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","Zn2SiO4","","Zn2SiO4 phase IV","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 IV structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","215375","2020-10-21","18:00:00","2020-04-22"
"3000443","10.4693","0.0003","9.8962","0.0002","25.0515","0.0007","90","","90","","90","","2595.49","0.12","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","","","3-(benzo[d]thiazol-2-yl)-3-hydroxypentanedioic acid monohydrate","","- C12 H13 N O6 S -","","","","","","Rakovský, Erik; Hrobárik, Peter; Nociarová, Jela","","To be published","","","","","","","","x-ray","1.54184","CuKα","","0.0321","0.0254","","","0.056","0.0583","","","","","","1.08","","","","","284004","2023-05-25","09:48:59","2024-04-25"
"3000444","10.4693","0.0003","9.8962","0.0002","25.0515","0.0007","90","","90","","90","","2595.49","0.12","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","","","3-(benzo[d]thiazol-2-yl)-3-hydroxypentanedioic acid monohydrate","","- C12 H13 N O6 S -","","","","","","Rakovský, Erik; Hrobárik, Peter; Nociarová, Jela","","To be published","","","","","","","","x-ray","1.54184","CuKα","","0.0395","0.033","","","0.0778","0.0808","","","","","","1.0564","","","","","284005","2023-05-25","09:56:10","2023-10-25"
"3500091","16.9583","0.0006","6.7846","0.0002","20.6053","0.0007","90","","90","","90","","2370.75","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","'benzoic acid 3,5-dicarboxylate ethylenediammonium'","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C88 H112 N16 O48 -","8","1","","Thierry Maris","benzoic acid 3,5-dicarboxylate ethylenediammonium","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0472","0.0408","","","0.0927","0.0965","","","","","","1.096","","","","has coordinates,has Fobs","246676","2020-10-21","18:00:00",""
"3500105","13.5504","0.0004","7.5443","0.0002","14.8005","0.0005","90","","90","","90","","1513.03","0.08","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-dimethoxyphenol","3,5-dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0347","0.0338","","","0.0929","0.0941","","","","","","1.067","","","","has coordinates,has Fobs","251906","2020-10-21","18:00:00",""
"3500125","13.338","0.009","13.199","0.009","23.572","0.015","90","","90","","90","","4150","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl2 Cu N8 O12 -","- C12 H16 Cl2 Cu N8 O12 -","- C96 H128 Cl16 Cu8 N64 O96 -","8","1","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.103","0.0587","","","0.1358","0.1593","","","","","","1.022","","","","has coordinates,has Fobs","274737","2022-04-28","06:05:40",""
"4000021","11.6493","0.0014","9.5395","0.0014","21.751","0.003","90","","90","","90","","2417.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis(EDT)ethane","1,2-bis(3',4'-(ethylendithio)-tetrathiafulvalen-3-yl)ethane","","- C18 H14 S12 -","- C18 H14 S12 -","- C72 H56 S48 -","4","0.5","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.3571","0.0546","","0.1133","0.0693","","","","0.914","1.157","1.157","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000083","6.711","0.001","6.614","0.001","17.72","0.004","90","","90","","90","","786.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Mn N Se -","- C H4 Mn N Se -","- C8 H32 Mn8 N8 Se8 -","8","1","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0407","0.0278","","","0.0655","0.0694","","","","","","1.132","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000155","7.4052","0.0002","10.1144","0.0003","18.7512","0.0005","90","","90","","90","","1404.45","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Eu2 O8 -","- C16 H8 Eu2 O8 -","- C64 H32 Eu8 O32 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm0211148","","","0.71073","MoKα","","0.0385","0.0263","","","0.0572","0.0608","","","","","","0.976","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000257","10.3417","0.001","10.0475","0.001","16.9927","0.0017","90","","90","","90","","1765.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H10 N2 O6 P2 Sn -","- C0.888889 H1.77778 N1.77778 O5.33333 P1.77778 Sn0.888889 -","- C8 H16 N16 O48 P16 Sn8 -","9","1.125","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.031","0.0268","","","0.0714","0.0734","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000276","8.5851","0.0001","19.8223","0.0002","32.9218","0.0003","90","","90","","90","","5602.51","0.1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H34 F12 N2 O3 Ru -","- C23 H34 F12 N2 O3 Ru -","- C184 H272 F96 N16 O24 Ru8 -","8","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm030029c","","","0.71073","MoKα","","0.0758","0.0395","","","0.0849","0.1085","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000280","16.4458","0.0003","6.7793","0.0001","29.6942","0.0006","90","","90","","90","","3310.64","0.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(4-[N-tert-butyl-N-aminoxyl]phenyl)-1,3-benzenedicarboxylic acid","","- C18 H18 N O5 -","- C18 H18 N O5 -","- C144 H144 N8 O40 -","8","1","","","LF336","Chemistry of Materials","2003","","","","","10.1021/cm034225v","","","0.71073","MoKα","","0.1078","0.0637","","","0.1525","0.1761","","","","","","1.081","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000376","16.0068","0.0015","14.5129","0.0008","7.0231","0.0005","90","","90","","90","","1631.5","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sodium Vanadyl Phosphate","Sodium Vanadium Oxide Phosphate","","- Na4 O9 P2 V -","- Na4 O9 P2 V -","- Na32 O72 P16 V8 -","8","1","","Rodion V. Panin; Roman V. Shpanchenko; Andrey V. Mironov; Yuri A. Velikodny; Evgeny V. Antipov; Joke Hadermann; Vasily A. Tarnopolsky; Andrey B. Yaroslavtsev","Crystal Structure, Polymorphism and Properties of the New Vanadylphosphate Na4VO(PO4)2","Chemistry of Materials","2004","","","","","10.1021/cm0351543","","","0.71069","MoKα","","0.0294","0.0294","","","0.0405","0.0405","","","","1.71","1.71","1.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000475","23.1512","0.0013","13.0142","0.0007","23.2007","0.0013","90","","90","","90","","6990.2","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C184 H208 Cl48 Mn8 N48 Nb24 O16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0355","0.027","","","0.0664","0.0696","","","","","","1.055","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000514","11.495","0.002","7.1318","0.0014","19.172","0.004","90","","90","","90","","1571.8","0.5","175","5","175","5","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thallium Lanthanum Germanium Selenide","","","- Ge La Se4 Tl -","- Ge La Se4 Tl -","- Ge8 La8 Se32 Tl8 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000536","15.8224","0.0007","9.0385","0.0004","17.4504","0.0008","90","","90","","90","","2495.59","0.19","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Ga2 N4 O22 P4 V2 -","- C8 H24 Ga2 N4 O22 P4 V2 -","- C32 H96 Ga8 N16 O88 P16 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000579","13.4904","0.0017","16.202","0.002","17.065","0.002","90","","90","","90","","3729.9","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 In N2 O6 -","- C22 H14 In N2 O6 -","- C176 H112 In8 N16 O48 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000581","14.26","0.006","14.184","0.006","18.653","0.008","90","","90","","90","","3773","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H11 In N2 O7.25 -","- C19 H13 In N2 O7.25 -","- C152 H104 In8 N16 O58 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000664","8.6048","0.0011","8.4436","0.0011","16.095","0.002","90","","90","","90","","1169.4","0.3","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,10-Dimethoxyanthracene","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000696","29.021","0.001","10.418","0.001","8.374","0.005","90","","90","","90","","2531.8","1.5","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Cl N5 S2 -","- C6 Cl N6 S2 -","- C48 Cl8 N48 S16 -","8","1","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.54178","CuKα","","","0.0723","","","0.098","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000709","15.7228","0.0018","11.5429","0.0012","23.123","0.003","90","","90","","90","","4196.5","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Cl N3 -","- C23 H26 Cl N3 -","- C184 H208 Cl8 N24 -","8","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71073","MoKα","","0.1447","0.0553","","0.1472","0.0685","0.1472","","","","","","0.8155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000824","13.922","0.005","11.778","0.005","24.558","0.005","90","","90","","90","","4027","2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N3 O4 -","- C18 H26 N3 O4 -","- C144 H208 N24 O32 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1065","0.084","","","0.2337","0.2643","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000826","13.7796","0.0007","12.3236","0.0006","16.0651","0.0004","90","","90","","90","","2728.1","0.2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1108","0.0598","","","0.1436","0.1713","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000827","13.7284","0.0006","12.2673","0.0006","16.0254","0.0008","90","","90","","90","","2698.8","0.2","15","2","15","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.4428","synchrotron","","0.0799","0.0622","","","0.1756","0.1975","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000901","11.924","0.003","5.2521","0.0013","14.989","0.004","90","","90","","90","","938.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cu N2 O2 -","- C10 H8 Cu N2 O2 -","- C40 H32 Cu4 N8 O8 -","4","0.5","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold","Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD","Chemistry of Materials","2010","22","17","4844","","10.1021/cm101442e","","","0.71073","MoKα","","0.0442","0.0403","","","0.0922","0.0944","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000915","10.6895","0.0018","18.763","0.003","25.788","0.004","90","","90","","90","","5172.2","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 N6 Ni O2 S2 -","- C20 H40 N6 Ni O2 S2 -","- C160 H320 N48 Ni8 O16 S16 -","8","1","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.042","0.0295","","","0.0646","0.0679","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000943","14.0954","0.0002","13.6059","0.0002","16.2976","0.0002","90","","90","","90","","3125.56","0.07","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C136 H136 N24 O32 -","8","1","","Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials","Chemistry of Materials","2010","22","9","2720","","10.1021/cm903048u","","","1.54184","CuKα","","0.0426","0.0355","","","0.1025","0.1056","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000976","17.6591","0.0017","17.6477","0.0017","42.628","0.004","90","","90","","90","","13285","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H62 Ag B F4 S4 Si -","- C78 H62 Ag B F4 S4 Si -","- C624 H496 Ag8 B8 F32 S32 Si8 -","8","1","","Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4","Chemistry of Materials","2009","21","3","541","","10.1021/cm8027687","","","0.71073","MoKα","","0.1044","0.0725","","","0.1913","0.2222","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001025","16.508","0.003","10.367","0.002","21.587","0.004","90","","90","","90","","3694.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H14 S2 -","- C26.01 H14.01 S1.861 -","- C208.08 H112.08 S14.888 -","8","1","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71069","MoKα","","0.0918","0.049","","","0.1211","0.142","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001063","7.82857","0.00008","11.21789","0.00012","7.46427","0.00008","90","","90","","90","","655.512","0.012","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- La O4 Ta -","- La O4 Ta -","- La8 O32 Ta8 -","8","1","","Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.","Unique LaTaO4Polymorph for Multiple Energy Applications","Chemistry of Materials","2009","21","19","4731","","10.1021/cm9020645","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001145","7.88","0.01","11.44","0.02","18.11","0.03","90","","90","","90","","1633","4","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun","Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes","Chemistry of Materials","2008","20","15","4883","","10.1021/cm703499q","","","0.7107","MoKα","","","0.1199","","","","0.2969","","","","","","1.327","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001276","15.6251","0.0009","16.3217","0.0009","18.1244","0.001","90","","90","","90","","4622.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TIF-4","TIF-4","","- C11.5 H11 N4 Zn -","- C11.5 H11 N4 Zn -","- C184 H176 N64 Zn16 -","16","2","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.0882","0.0709","","","0.2216","0.2448","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001335","13.1663","0.0017","23.426","0.003","23.615","0.003","90","","90","","90","","7283.7","1.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H68 Cl12 Mn2 N12 Nb6 O6 -","- C52 H60 Cl12 Mn2 N12 Nb6 O6 -","- C208 H240 Cl48 Mn8 N48 Nb24 O24 -","4","0.5","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.1014","0.062","","","0.1082","0.1219","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001392","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Murata, Hidenori; Mague, Joel T.; Aboaku, Safo; Yoshioka, Naoki; Lahti, Paul M.","An Organic Radical Solid Solution with Strong Ferromagnetic Exchange","Chemistry of Materials","2007","19","17","4111","","10.1021/cm0711459","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001396","13.261","0.0009","7.6398","0.0005","21.3062","0.0014","90","","90","","90","","2158.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 B N5 -","- C9 H6 B N5 -","- C72 H48 B8 N40 -","8","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.1","0.047","","","0.0968","0.1175","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001464","8.814","0.002","8.591","0.002","27.644","0.005","90","","90","","90","","2093.2","0.8","273.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0709","","","","0.1715","","","","","","1.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001465","8.9315","0.0007","26.023","0.003","8.4082","0.0007","90","","90","","90","","1954.3","0.3","128.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.1081","","","","0.2642","","","","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001470","8.8871","0.0003","9.2148","0.0003","24.1897","0.0009","90","","90","","90","","1980.96","0.12","273.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Sn -","- C8 I4 N2 O4 Sn -","- C32 I16 N8 O16 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0492","","","","0.1457","","","","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001513","12.2752","0.0013","8.253","0.0008","22.052","0.002","90","","90","","90","","2234","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-aminoethyl)-4-nitroaniline formic acid (salt)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C72 H104 N24 O32 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1016","0.0489","","","0.1027","0.1136","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001548","14.342","0.002","5.776","0.0008","51.085","0.007","90","","90","","90","","4231.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Br N O2 -","- C20 H32 Br N O2 -","- C160 H256 Br8 N8 O16 -","8","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0881","0.0664","","","0.1693","0.1827","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001620","7.2099","0.0009","7.2664","0.0009","38.238","0.005","90","","90","","90","","2003.3","0.4","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","0.5","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0437","0.04","","","0.1106","0.112","","","","","","1.329","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001661","11.1655","0.0002","20.1365","0.0004","33.784","0.0006","90","","90","","90","","7595.8","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 In N2 O3 Si4 Sn -","- C24 H63 In N2 O3 Si4 Sn -","- C192 H504 In8 N16 O24 Si32 Sn8 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.1001","0.0608","","","0.0802","0.088","","","","","","1.147","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001956","12.6029","0.001","15.0179","0.0012","20.6246","0.0015","90","","90","","90","","3903.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H34 N4 Sn -","- C16 H34 N4 Sn -","- C128 H272 N32 Sn8 -","8","1","","Kim, Sang Bok; Sinsermsuksakul, Prasert; Hock, Adam S.; Pike, Robert D.; Gordon, Roy G.","Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition","Chemistry of Materials","2014","26","10","3065","","10.1021/cm403901y","","","0.71073","MoKα","","0.039","0.0266","","","0.0549","0.0598","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001985","14.638","0.002","19.642","0.003","20.303","0.003","90","","90","","90","","5837.5","1.5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H27 Al N4 O3 -","- C36 H27 Al N4 O3 -","- C288 H216 Al8 N32 O24 -","8","1","","Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo","Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials","Chemistry of Materials","2014","26","12","3693","","10.1021/cm5011604","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002024","9.20688","0.00009","9.10175","0.00009","13.7119","0.00016","90","","90","","90","","1149.04","0.02","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","orthorhombic lithium cobalt sulfate","orthorhombic lithium cobalt sulfate","","- Co Li2 O8 S2 -","- Co Li2 O8 S2 -","- Co8 Li16 O64 S16 -","8","1","","Lander, Laura; Reynaud, Marine; Rousse, Gwenaëlle; Sougrati, Moulay T.; Laberty-Robert, Christel; Messinger, Robert J.; Deschamps, Michaël; Tarascon, Jean-Marie","Synthesis and Electrochemical Performance of the Orthorhombic Li2Fe(SO4)2Polymorph for Li-Ion Batteries","Chemistry of Materials","2014","26","14","4178","","10.1021/cm5012845","powder diffraction","","1.78901","CoKα","","","","","","","","","1.9868","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002171","8.2365","0.0003","12.1468","0.0005","24.7923","0.0011","90","","90","","90","","2480.4","0.18","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B2 Mg O16 -","- C14 H36 B2 Mg O16 -","- C56 H144 B8 Mg4 O64 -","4","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0481","0.0362","","0.0874","0.0821","0.0874","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002667","9.1111","0.0003","8.6338","0.0003","28.408","0.001","90","","90","","90","","2234.67","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0435","","","","","","1.18","","","","has coordinates","184455","2020-10-21","18:00:00",""
"4002874","8.4218","0.0012","8.9253","0.0013","26.11","0.004","90","","90","","90","","1962.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 H24 I4 N2 Sn -","- C32 H96 I16 N8 Sn4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0722","0.0652","","","0.1372","0.1393","","","","","","1.392","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002917","16.5896","0.0004","6.1155","0.0001","18.1992","0.0004","90","","90","","90","","1846.38","0.07","299.78","0.1","299.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-dibromo-5.6-dicyanobenzoquinone","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0302","0.0262","","","0.0655","0.0684","","","","","","1.0456","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002969","14.5203","0.0004","5.27442","0.00015","15.8554","0.0004","90","","90","","90","","1214.3","0.06","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C48 H40 S8 Se8 -","4","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0692","0.0586","","","0.1527","0.1605","","","","","","1.032","","","","has coordinates","220393","2020-10-21","18:00:00",""
"4003044","16.813","0.003","7.4763","0.0015","31.999","0.006","90","","90","","90","","4022.2","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C200 H176 N16 O16 -","8","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1006","0.0519","","","0.1192","0.1495","","","","","","1.091","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4003238","20.1106","0.0017","7.3879","0.0006","24.51","0.002","90","","90","","90","","3641.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urorosein Sulfate Acetate","3H-indol-1-ium-3-ylmethylene-3H-indol-1-ium","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","","Hall, Victoria M.; Cox, Kristin A.; Sours, Ryan E.; Swift, Jennifer A.","Urochrome Pigment in Uric Acid Crystals","Chemistry of Materials","2016","28","11","3862","","10.1021/acs.chemmater.6b00977","","","0.41328","synchrotron","","0.0965","0.0479","","","0.092","0.1088","","","","","","1.035","","","","has coordinates","231454","2020-10-21","18:00:00",""
"4003281","9.246","0.003","10.857","0.003","60.062","0.016","90","","90","","90","","6029","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-methyl-5-(4-(phenylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C35 H25 F6 N O2 S2 -","- C35 H25 F6 N O2 S2 -","- C280 H200 F48 N8 O16 S16 -","8","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.1074","0.0942","","","0.2454","0.2616","","","","","","1.014","","","","has coordinates,has disorder","231486","2020-10-21","18:00:00",""
"4003287","23.9625","0.0004","12.8754","0.0002","12.4685","0.0003","90","","90","","90","","3846.87","0.13","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H19 N O -","- C28 H19 N O -","- C224 H152 N8 O8 -","8","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.0753","0.0513","","","0.1428","0.1577","","","","","","1.074","","","","has coordinates","231491","2020-10-21","18:00:00",""
"4003315","9.1561","0.0005","8.6894","0.0003","28.7762","0.0015","90","","90","0.004","90","","2289.46","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0727","0.0575","","","0.1308","0.1398","","","","","","1.099","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003316","9.0944","0.0004","8.6613","0.0006","28.764","0.0013","90","","90","","90","","2265.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Sn -","- C14 H20 I4 N2 Sn -","- C56 H80 I16 N8 Sn4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0469","0.0354","","","0.0852","0.0894","","","","","","1.089","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003333","14.739","0.0009","20.9507","0.001","23.2253","0.0013","90","","90","","90","","7171.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H44 N2 O24 P2 Ti6 -","- C54 H86 N2 O24 P2 Ti6 -","- C216 H344 N8 O96 P8 Ti24 -","4","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0745","0.0599","","","0.1583","0.1706","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003366","18.3561","0.001","8.5392","0.0005","19.8563","0.0011","90","","90","","90","","3112.4","0.3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cle106b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.047","0.0332","","","0.0581","0.0618","","","","","","1.08","","","","has coordinates","231540","2020-10-21","18:00:00",""
"4003368","17.3155","0.0006","8.2244","0.0003","18.4056","0.0006","90","","90","","90","","2621.13","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLE30","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0338","0.0267","","","0.0558","0.0589","","","","","","1.057","","","","has coordinates,has disorder","231542","2020-10-21","18:00:00",""
"4003369","18.3568","0.0004","8.7037","0.0002","19.648","0.0004","90","","90","","90","","3139.2","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF5b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0438","0.0315","","","0.0673","0.0739","","","","","","1.032","","","","has coordinates","231543","2020-10-21","18:00:00",""
"4003370","16.7592","0.0013","7.875","0.0005","18.4791","0.0015","90","","90","","90","","2438.8","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF24a","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.05","0.0288","","","0.0512","0.0576","","","","","","1.045","","","","has coordinates","231544","2020-10-21","18:00:00",""
"4003373","17.3765","0.0003","8.2397","0.0001","18.7056","0.0004","90","","90","","90","","2678.21","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF35","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0458","0.0288","","","0.0563","0.0626","","","","","","1.038","","","","has coordinates","231547","2020-10-21","18:00:00",""
"4003443","18.702","0.002","17.0024","0.0018","10.8512","0.0007","90","","90","","90","","3450.5","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Br Cd N4 S3 -","- C10 H17 Br Cd N4 S3 -","- C80 H136 Br8 Cd8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.101","0.0698","","","0.1638","0.1793","","","","","","1.044","","","","has coordinates","245093","2020-10-21","18:00:00",""
"4003444","17.8302","0.0005","17.2839","0.0006","10.7115","0.0003","90","","90","","90","","3301.02","0.17","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd F N4 S3 -","- C10 H17 Cd F N4 S3 -","- C80 H136 Cd8 F8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.0271","0.0238","","","0.1025","0.1125","","","","","","1.018","","","","has coordinates","245094","2020-10-21","18:00:00",""
"4003447","18.4818","0.0012","17.0544","0.0011","10.8438","0.0003","90","","90","","90","","3417.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd Cl N4 S3 -","- C10 H17 Cd Cl N4 S3 -","- C80 H136 Cd8 Cl8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.1011","0.0613","","","0.1785","0.2087","","","","","","1.042","","","","has coordinates","245097","2020-10-21","18:00:00",""
"4003453","19.86","0.005","7.617","0.0018","25.334","0.006","90","","90","","90","","3832.4","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0613","0.0412","","","0.094","0.1026","","","","","","1.063","","","","has coordinates","246479","2020-10-21","18:00:00",""
"4003454","19.991","0.007","7.549","0.003","25.31","0.009","90","","90","","90","","3820","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H15 N3 O2 Pt -","- C26 H15 N3 O2 Pt -","- C208 H120 N24 O16 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0444","0.03","","","0.0726","0.0769","","","","","","1.026","","","","has coordinates","246480","2020-10-21","18:00:00",""
"4003455","17.8692","0.0008","7.5528","0.0004","28.1923","0.0015","90","","90","","90","","3804.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0298","0.0236","","","0.0557","0.0582","","","","","","1.05","","","","has coordinates","246481","2020-10-21","18:00:00",""
"4003478","16.9559","0.0016","28.654","0.002","31.215","0.002","90","","90","","90","","15166","2","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 F56 Fe8 O32 -","- C32 F56 Fe8 O32 -","- C256 F448 Fe64 O256 -","8","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54178","CuKα","","0.1869","0.1669","","","0.4568","0.4732","","","","","","2.098","","","","has coordinates,has disorder","248089","2020-10-21","18:00:00",""
"4003481","12.2381","0.0019","12.0569","0.0016","22.007","0.003","90","","90","","90","","3247.2","0.8","423","","423","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 B11 Cl6 Na -","- C H6 B11 Cl6 Na -","- C8 H48 B88 Cl48 Na8 -","8","1","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.0826","","","","","","","","has coordinates","248132","2020-10-21","18:00:00",""
"4003503","20.3104","0.0009","15.1875","0.0007","24.1736","0.0012","90","","90","","90","","7456.7","0.6","60","2","59.97","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.025","0.022","","","0.0406","0.0412","","","","","","1.288","","","","has coordinates","249620","2020-10-21","18:00:00",""
"4003506","20.314","0.003","15.056","0.0014","24.098","0.003","90","","90","","90","","7370.3","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1175","0.0737","","","0.1817","0.2101","","","","","","1.056","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003507","19.717","0.003","14.242","0.0014","23.529","0.003","90","","90","","90","","6607.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1256","0.0716","","","0.137","0.1542","","","","","","1.11","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003508","19.602","0.003","14.0363","0.0014","23.14","0.003","90","","90","","90","","6366.7","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1754","0.1153","","","0.2866","0.382","","","","","","1.438","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003509","19.431","0.011","13.831","0.003","22.9","0.014","90","","90","","90","","6154","5","299","2","299.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.241","0.1513","","","0.3951","0.5534","","","","","","0.928","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003513","20.4236","0.0007","15.4026","0.0006","24.2096","0.0008","90","","90","","90","","7615.8","0.5","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(terpy)2]","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1049","0.0511","","","0.0891","0.1086","","","","","","1.06","","","","has coordinates","249627","2020-10-21","18:00:00",""
"4003514","20.3703","0.0003","15.2991","0.0002","24.2579","0.0003","90","","90","","90","","7559.91","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0349","0.0235","","","0.0462","0.0479","","","","","","1.045","","","","has coordinates","249628","2020-10-21","18:00:00",""
"4003576","20.1068","0.0004","15.3349","0.0003","8.93802","0.00016","90","","90","","90","","2755.91","0.09","171","","171","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O S2 -","- C13 H16 N2 O S2 -","- C104 H128 N16 O8 S16 -","8","1","","Zheng, Yu; Ashizawa, Minoru; Zhang, Song; Kang, Jiheong; Nikzad, Shayla; Yu, Zhiao; Ochiai, Yuto; Wu, Hung-Chin; Tran, Helen; Mun, Jaewan; Zheng, Yu-Qing; Tok, Jeffrey B.-H.; Gu, Xiaodan; Bao, Zhenan","Tuning the Mechanical Properties of a Polymer Semiconductor by Modulating Hydrogen Bonding Interactions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01437","","","1.54187","CuKα","","0.0883","0.0798","","","0.2435","0.2585","","","","","","1.104","","","","has coordinates,has disorder","253177","2020-10-21","18:00:00",""
"4003579","9.9588","0.0003","9.777","0.0003","14.1456","0.0004","90","","90","","90","","1377.32","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","catena-(bis(m2-1,2,4-triazolato)-zinc)","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C32 H32 N48 Zn8 -","8","1","","Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.","Ab Initio Prediction of Metal-Organic Framework Structures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01737","powder diffraction","","1.5418","CuKα","","","","","","","","","0.032","2.807","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003964","8.1835","0.0007","17.1315","0.0015","20.45","0.0018","90","","90","","90","","2867","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.0314","0.0228","","","0.0531","0.0557","","","","","","1","","","","has coordinates","266785","2021-06-29","22:36:48",""
"4003996","8.0054","0.0004","11.1571","0.0008","16.1757","0.0008","90","","90","","90","","1444.77","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N2 O3 S -","- C4 H8 N2 O3 S -","- C32 H64 N16 O24 S8 -","8","1","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.056","0.0426","","","0.1119","0.1229","","","","","","1.021","","","","has coordinates","267464","2021-07-11","22:16:22",""
"4004060","11.7848","0.0002","11.8754","0.0002","23.334","0.0005","90","","90","","90","","3265.57","0.1","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C64 H160 Cl40 N16 Sb8 -","8","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0487","0.0458","","","0.0926","0.0938","","","","","","1.309","","","","has coordinates","272494","2022-02-03","22:54:03",""
"4004063","10.906","0.003","5.7031","0.0019","15.132","0.004","90","","90","","90","","941.2","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C1.14 H1.43 N0.86 -","- C1.14286 H1.42857 N0.857143 -","- C32 H40 N24 -","28","3.5","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0747","0.0505","","","0.1085","0.1193","","","","","","1.107","","","","has coordinates","273277","2022-03-03","22:42:22",""
"4020012","19.3269","0.0009","13.4544","0.0007","19.8413","0.0009","90","","90","","90","","5159.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 -","- C32 H33.33 N2 O2 -","- C256 H266.64 N16 O16 -","8","1","","Shoji, Mitsuru; Imai, Hiroki; Mukaida, Makoto; Sakai, Ken; Kakeya, Hideaki; Osada, Hiroyuki; Ayashi, Yujiro","The Total Synthesis of Epoxyquinols A, B, C and RKB-3564D and the Reactivity of a 2H-Pyran Derivative as the Diene Component in the Diels-Alder Reaction","Journal of Organic Chemistry","2005","70","","79","91","10.1021/jo048425h","","","0.71073","MoKα","","0.08","0.0647","","","0.1339","0.1407","","","","","","1.204","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020028","14.1821","0.0004","11.6288","0.0004","14.4777","0.0004","90","","90","","90","","2387.67","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C104 H144 Cl8 N8 O8 -","8","1","","Albert Padwa; Paitoon Rashatasakhon; Ayse Daut Ozdemir; Jerremey Willis","","Journal of Organic Chemistry","2005","70","","519","528","10.1021/jo048314i","","","1.54178","CuKα","","0.0514","0.0463","","","0.1156","0.1181","","","","","","1.215","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020032","12.26","0.003","7.9032","0.0016","23.177","0.005","90","","90","","90","","2245.7","0.9","84","2","84","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","methylphenylthioether","","","- C12 H16 S2 -","- C12 H16 S2 -","- C96 H128 S16 -","8","1","","Reginald H. Mitchell; Rachel Blunden; Gavin Hollett; Subhajit Bandyopadhyay; Richard Vaughan Williams; Brendan Twamley","","Journal of Organic Chemistry","2005","70","","675","680","10.1021/jo0484272","","","0.71073","MoKα","","0.0794","0.0504","","","0.1146","0.1291","","","","","","1.087","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020056","7.3819","0.0002","16.9618","0.0007","22.3703","0.0008","90","","90","","90","","2800.99","0.17","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0679","0.0435","","","0.1021","0.1159","","","","","","1.02","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020063","10.814","0.0001","13.7985","0.0002","23.5044","0.0003","90","","90","","90","","3507.26","0.07","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0392","0.0339","","0.0451","0.041","0.041","","","","","","1.0803","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020090","9.2462","0.0006","8.8456","0.0006","32.222","0.002","90","","90","","90","","2635.3","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,11-dicyclopropylpyrido[2,3-e]Bis[1,2,4]triazolo[4,3-a:3',4'-c]pyrazine","","- C15 H13 N7 -","- C15 H13 N7 -","- C120 H104 N56 -","8","1","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0726","0.0569","","","0.1302","0.1383","","","","","","1.136","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020152","12.3045","0.0006","15.9117","0.0007","24.1391","0.0012","90","","90","","90","","4726.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B2 F6 N2 -","- C20 H38 B2 F6 N2 -","- C160 H304 B16 F48 N16 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0651","0.0405","","","0.0876","0.0982","","","","","","1.009","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020156","10.6045","0.001","11.0631","0.001","19.7482","0.0019","90","","90","","90","","2316.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B F3 N -","- C10 H19 B F3 N -","- C80 H152 B8 F24 N8 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0536","0.0419","","","0.0992","0.105","","","","","","1.118","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020180","14.2335","0.0003","7.2938","0.0007","18.4191","0.0009","90","","90","","90","","1912.2","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","Man-kit Leung; M. Balaji Viswanath; Pi-Tai Chou; Shih-Chieh Pu; Hsin-Chieh Lin; Bih-Yaw Jin","","Journal of Organic Chemistry","2005","70","","3560","3568","10.1021/jo047802n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020185","8.2975","0.0007","11.5995","0.0011","21.6279","0.0019","90","","90","","90","","2081.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As F8 O2 -","- C7 H5 As F8 O2 -","- C56 H40 As8 F64 O16 -","8","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020313","8.784","0.0007","15.4247","0.0012","30.289","0.002","90","","90","","90","","4103.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Cu N2 -","- C21 H26 Cl Cu N2 -","- C168 H208 Cl8 Cu8 N16 -","8","1","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020363","21.844","0.009","9.342","0.004","24.778","0.01","90","","90","","90","","5057","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020368","16.4812","0.0011","12.3362","0.0007","17.855","0.0016","90","","90","","90","","3630.2","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Br N4 -","- C19 H29 Br N4 -","- C152 H232 Br8 N32 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020407","7.3216","0.0013","21.448","0.004","28.651","0.005","90","","90","","90","","4499.2","1.4","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N6 S2 -","- C25 H18 N6 S2 -","- C200 H144 N48 S16 -","8","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020427","8.201","0.0002","12.235","0.0003","35.164","0.0011","90","","90","","90","","3528.33","0.16","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N6 O4 S2 -","- C15 H18 N6 O4 S2 -","- C120 H144 N48 O32 S16 -","8","1","","Regis Leung-Toung; Tim F. Tam; Yanqing Zhao; Craig D. Simpson; Wanren Li; Denis Desilets; Khashayar Karimian","","Journal of Organic Chemistry","2005","70","","6230","6241","10.1021/jo0507486","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020489","20.49","0.01","21.137","0.006","11.439","0.003","90","","90","","90","","4953","3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 O P -","- C30 H27 O P -","- C240 H216 O8 P8 -","8","1","","Kimihiro Komeyama; Tomonori Kawabata; Katsuomi Takehira; Ken Takaki","Rare-Earth Silylamide-Catalyzed Selective Dimerization of Terminal Alkynes and Subsequent Hydrophosphination in One Pot","Journal of Organic Chemistry","2005","70","","7260","7266","10.1021/jo0509206","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020509","17.464","0.0011","12.6256","0.0008","22.5394","0.0014","90","","90","","90","","4969.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cl I O -","- C30 H22 Cl I O -","- C240 H176 Cl8 I8 O8 -","8","1","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020579","13.5422","0.0014","28.132","0.003","31.458","0.003","90","","90","","90","","11985","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H42 O15 S5 -","- C56 H38 O15 S5 -","- C448 H304 O120 S40 -","8","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020592","6.4768","0.0006","15.168","0.002","13.6745","0.0014","90","","90","","90","","1343.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 O2 Se -","- C7 H6 O2 Se -","- C56 H48 O16 Se8 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020631","18.7318","0.0004","9.9214","0.0002","23.582","0.0005","90","","90","","90","","4382.61","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 F2 N3 O2 S -","- C25 H19 F2 N3 O2 S -","- C200 H152 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020782","18.3151","0.0007","16.306","0.0007","19.7968","0.0008","90","","90","","90","","5912.2","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C240 H224 Br32 O48 -","16","2","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020792","13.392","0.002","10.953","0.001","28.412","0.002","89","","89","","90","","4167.2","0.8","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C224 H208 O16 -","8","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020794","8.4301","0.0006","11.752","0.0009","21.968","0.0017","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C72 H120 I8 O16 -","8","1","","Francesca Peri; Enrico Binassi; Antonio Manetto; Emanuela Marotta; Andrea Mazzanti; Paolo Righi; Noemi Scardovi; Goffredo Rosini","Preparation of Bicyclo[3.2.0]heptane-2-endo,7-endo-diols: 1,3-Diols with a Chiral Rigid Backbone","Journal of Organic Chemistry","2004","69","","1353","1356","10.1021/jo035324v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020928","9.5766","0.0002","9.0725","0.0002","16.959","0.0003","90","","90","","90","","1473.46","0.05","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2(3)","","","- C14 H12 S4 -","- C14 H12 S4 -","- C56 H48 S16 -","4","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020972","20.78","0.01","11.496","0.004","8.242","0.002","89","","89","","90","","1968","1","198.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O S -","- C12 H10 O S -","- C96 H80 O8 S8 -","8","1","","Yuichi Sawada; Akira Oku","Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group","Journal of Organic Chemistry","2004","69","","2899","2901","10.1021/jo0498009","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020982","8.425","0.005","13.235","0.005","23.159","0.005","90","","90","","90","","2582.3","1.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,11,20,29-tetraoxa[3.3.3.3]paracyclophane","","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","0.5","","Paolo Sarri; Francesca Venturi; Francesco Cuda; Stefano Roelens","Binding of Acetylcholine and Tetramethylammonium to Flexible Cyclophane Receptors: Improving on Binding Ability by Optimizing Host's Geometry","Journal of Organic Chemistry","2004","69","","3654","3661","10.1021/jo049899j","","","","","","","","","","","","","","","","","","","","","has coordinates","171653","2020-10-21","18:00:00",""
"4020996","11.4912","0.0005","16.0724","0.0007","30.9077","0.0014","90","","90","","90","","5708.4","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C296 H240 N32 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021064","11.075","0.001","18.989","0.003","23.195","0.002","90","","90","","90","","4878","1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H48 O12 -","- C52 H64 O16 -","- C208 H256 O64 -","4","0.5","","Denis Deffieux; Isabelle Fabre; Alexander Titz; Jean-Michel Léger; Stéphane Quideau","Electrochemical Synthesis of Dimerizing and Nondimerizing Orthoquinone Monoketals","Journal of Organic Chemistry","2004","69","","8731","8738","10.1021/jo048677i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021094","11.7266","0.0002","14.6049","0.0002","28.9655","0.0004","90","","90","","90","","4960.8","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C240 H304 O32 -","8","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021114","9.6168","0.0005","11.2035","0.0006","38.984","0.002","90","","90","","90","","4200.3","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 Si -","- C25 H20 N2 Si -","- C200 H160 N16 Si8 -","8","1","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021150","11.8392","0.001","13.5708","0.0012","19.6855","0.0017","90","","90","","90","","3162.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C128 H152 N8 O32 S8 -","8","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021156","9.0501","0.0009","10.546","0.0011","31.943","0.003","90","","90","","90","","3048.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O2 Si2 -","- C14 H18 O2 Si2 -","- C112 H144 O16 Si16 -","8","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021194","10.0094","0.0002","13.2628","0.0003","35.0466","0.0005","90.009","0.001","90.011","0.001","89.986","0.001","4652.5","0.1","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 F N2 O4 S -","- C24 H27 F N2 O4 S -","- C192 H216 F8 N16 O32 S8 -","8","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0448","","","0.047","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021199","20.9249","0.0013","9.3581","0.0006","26.1944","0.0016","90","","90","","90","","5129.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 I N2 O3 -","- C25 H27 Cl2 I N2 O3 -","- C200 H216 Cl16 I8 N16 O24 -","8","1","","Shengming Ma; Bukuo Ni; Zhiqiang Liang","Highly Selective Synthesis of Bicyclic Quinolizidine Alkaloids and Their Analogues via Double RCM Reaction of N-Alkynyl-N-(1,ω)-alkadienyl Acrylamides","Journal of Organic Chemistry","2004","69","","6305","6309","10.1021/jo0493121","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021246","25.1927","0.0007","12.5759","0.0004","30.9084","0.0009","90","","90","","90","","9792.4","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H63 Cl2 I O4 -","- C52 H63 Cl2 I O4 -","- C416 H504 Cl16 I8 O32 -","8","1","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes","Journal of Organic Chemistry","2004","69","","6394","6403","10.1021/jo0494782","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021322","14.98","0.002","12.115","0.002","24.997","0.004","90","","90","","90","","4536.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cl2 N O4 -","- C26 H17 Cl2 N O4 -","- C208 H136 Cl16 N8 O32 -","8","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021325","12.3717","0.0011","7.772","0.0007","32.821","0.003","90","","90","","90","","3155.8","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021373","12.0701","0.0009","13.9385","0.0011","21.0391","0.0016","90","","90","","90","","3539.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B2 F8 N2 O2 -","- C14 H18 B2 F8 N2 O2 -","- C112 H144 B16 F64 N16 O16 -","8","1","","Dong Zhang; Eric J. Dufek; Edward L. Clennan","Syntheses, Characterizations, and Properties of Electronically Perturbed 1,1'-Dimethyl-2,2'-bipyridinium Tetrafluoroborates","Journal of Organic Chemistry","2006","71","","315","319","10.1021/jo052127i","","","0.71073","MoKα","","0.0747","0.0448","","","0.108","0.1233","","","","","","1.068","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021375","25.7376","0.0004","11.1794","0.0002","37.1441","0.0006","90","","90","","90","","10687.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H54 Cl3 N5 O3 -","- C63 H54 Cl3 N5 O3 -","- C504 H432 Cl24 N40 O24 -","8","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1212","0.0846","","","0.2534","0.2739","","","","","","1.105","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021445","8.09","0.001","15.095","0.002","26.844","0.004","90","","90","","90","","3278.2","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-pyren-1-yl-vinyl)benzonitrile","","- C25 H15 N -","- C25 H15 N -","- C200 H120 N8 -","8","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0666","0.0457","","","0.1058","0.1163","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021465","9.9999","0.0004","7.6682","0.0003","14.1917","0.0005","90","","90","","90","","1088.24","0.07","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C3H7N5","","","- C3 H7 N5 -","- C3 H7 N5 -","- C24 H56 N40 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0861","0.0522","","","0.1282","0.1477","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021467","5.9553","0.0004","13.2837","0.001","17.4438","0.0015","90","","90","","90","","1379.95","0.18","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O2 -","- C3 H6 N6 O2 -","- C24 H48 N48 O16 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0735","0.0411","","","0.0862","0.0943","","","","","","0.878","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021479","15.645","0.005","15.428","0.002","11.384","0.003","90","","90","","90","","2747","1","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0528","","","","0.0561","","","","","","1.478","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021481","16.852","0.005","18.09","0.005","9.068","0.003","90","","90","","90","","2764","2","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0513","","","","0.0579","","","","","","1.484","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021487","19.047","0.004","16.454","0.004","12.525","0.004","90","","90","","90","","3925","3","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0888","","","","0.1193","","","","","","2.168","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021524","15.656","0.004","19.673","0.005","19.736","0.005","90","","90","","90","","6079","3","296","2","296","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","trnas-aziridino-epoxide","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C240 H304 N16 O48 S16 -","16","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1403","0.1021","","","0.1937","0.2064","","","","","","1.274","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021581","11.822","0.004","10.17","0.003","20.703","0.004","90","","90","","90","","2489.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C112 H88 N8 O48 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0672","0.0541","","","0.1484","0.1586","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021583","19.1965","0.0008","19.6566","0.0008","28.9209","0.0011","90","","90","","90","","10913","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H72 O15 -","- C52 H72 O15 -","- C416 H576 O120 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54248","CuKα","","0.1291","0.1078","","","0.2116","0.2221","","","","","","1.453","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021602","17.01","0.02","8.178","0.008","21.42","0.02","90","","90","","90","","2980","5","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C152 H152 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.038","","","","0.045","","","","","","1.018","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021604","7.6871","0.0003","16.3111","0.0006","18.5766","0.0009","90","","90","","90","","2329.23","0.17","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 S2 -","- C11 H18 O2 S2 -","- C88 H144 O16 S16 -","8","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0616","0.0446","","","0.0988","0.1069","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021628","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Raymond Ziessel; Laure Bonardi; Pascal Retailleau; Gilles Ulrich","Isocyanate-, Isothiocyanate-, Urea-, and Thiourea-Substituted Boron Dipyrromethene Dyes as Fluorescent Probes","Journal of Organic Chemistry","2006","71","","3093","3102","10.1021/jo0600151","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021665","9.7558","0.0009","9.0365","0.0009","26.814","0.003","90","","90","","90","","2363.8","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C128 H112 N16 -","8","1","","Norio Sakai; Kimiyoshi Annaka; Takeo Konakahara","Direct Synthesis of Polysubstituted Quinoline Derivatives by InBr~3~-Promoted Dimerization of 2-Ethynylaniline Derivatives","Journal of Organic Chemistry","2006","71","","3653","3655","10.1021/jo060245f","","","0.71073","MoKα","","0.0623","0.0526","","","0.1422","0.1714","","","","","","1.146","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021769","8.2284","0.0005","14.6764","0.0009","21.4924","0.0013","90","","90","","90","","2595.5","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O S -","- C14 H17 N O S -","- C112 H136 N8 O8 S8 -","8","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0371","0.0308","","","0.08","0.0851","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021820","24.671","0.004","14.074","0.004","8.717","0.003","89","","89","","90","","3026","2","292.2","","292.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Se -","- C20 H14 Se -","- C160 H112 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0435","","","0.0312","","","","","1.757","1.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021845","5.8162","0.0001","19.9828","0.0006","21.1044","0.0006","90","","90","","90","","2452.84","0.11","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0644","0.0353","","0.0612","0.0389","0.0389","","","","","","1.1352","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021869","8.634","0.006","10.072","0.007","23.622","0.016","90","","90","","90","","2054","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0506","0.0341","","","0.0804","0.0867","","","","","","1.025","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021892","7.726","0.0019","7.977","0.002","42.958","0.011","90","","90","","90","","2647.4","1.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C136 H96 N8 O8 S8 -","4","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1978","0.0674","","","0.1358","0.1657","","","","","","0.851","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021906","17.5783","0.0016","18.3011","0.0018","21.379","0.002","90","","90","","90","","6877.5","1.2","83","3","83","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cr O6 Si -","- C37 H42 Cr O6 Si -","- C296 H336 Cr8 O48 Si8 -","8","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0594","0.0448","","","0.109","0.1189","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021910","12.8635","0.0003","12.1962","0.0003","21.3633","0.0006","90","","90","","90","","3351.6","0.15","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1075","0.0532","","","0.0942","0.1113","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021926","15.419","0.0009","7.0236","0.0004","30.8348","0.0018","90","","90","","90","","3339.3","0.3","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.068","0.0405","","","0.0922","0.1062","","","","","","1.012","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021960","18.401","0.006","35.757","0.011","7.264","0.003","90","","90","","90","","4779","3","298","","","","","","","","","","Local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C29 H26 N O2 P -","- C29 N O2 P -","- C232 N8 O16 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.166","0.047","","0.132","0.099","0.099","","","2.514","1.61","1.61","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021999","38.89","0.01","20.452","0.005","8.701","0.003","89","","89","","90","","6919","3","300.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C336 H400 O32 -","8","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.045","","","","0.038","","","","","","1.885","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4022027","12.028","0.004","12.923","0.005","16.482","0.004","90","","90","","90","","2561.8","1.4","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-4-(trichlorophoshoranylidene)- 2,4-dihydro-3H-pyrazol-3-one","","- C10 H8 Cl3 N2 O P -","- C10 H8 Cl3 N2 O P -","- C80 H64 Cl24 N16 O8 P8 -","8","1","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.5418","CuKα","","0.1734","0.0612","","0.1308","0.0625","0.0625","","","","","","1.1512","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022060","19.223","0.002","12.311","0.0015","22.588","0.003","90","","90","","90","","5345.6","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 F2 N3 O -","- C29 H27 Cl2 F2 N3 O -","- C232 H216 Cl16 F16 N24 O8 -","8","1","","John Y. L. Chung; Raymond J. Cvetovich; Mark McLaughlin; Joseph Amato; Fuh-Rong Tsay; Mark Jensen; Steve Weissman; Daniel Zewge","Synthesis of a Naphthyridone p38 MAP Kinase Inhibitor","Journal of Organic Chemistry","2006","71","","8602","8609","10.1021/jo061618f","","","0.71073","MoKα","","0.0785","0.0489","","","0.112","0.1256","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022072","7.5969","0.0003","19.9937","0.0008","22.45","0.007","90","","90","","90","","3409.9","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.095","0.036","","","0.0623","0.072","","","","","","0.842","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022074","19.541","0.003","8.2533","0.0009","20.397","0.003","90","","90","","90","","3289.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C152 H104 Cl16 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.058","0.055","","","0.1366","0.1392","","","","","","1.178","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022091","21.4654","0.0004","17.0244","0.0003","21.6341","0.0005","90","","90","","90","","7905.9","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H44 F6 N6 O6 S2 Zn -","- C36 H44 F6 N6 O6 S2 Zn -","- C288 H352 F48 N48 O48 S16 Zn8 -","8","1","","Woosung Kim; Soon Mog So; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereoselective Recognition of Vicinal Diamines with a Zn(II) Complex","Journal of Organic Chemistry","2006","71","","8966","8968","10.1021/jo0616815","","","0.71073","MoKα","","0.1071","0.0472","","","0.1041","0.1254","","","","","","1.014","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022106","11.123","0.003","14.73","0.004","27.784","0.007","90","","90","","90","","4552.2","1.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N2 O7 P -","- C22 H23 N2 O7 P -","- C176 H184 N16 O56 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1202","0.0866","","","0.1879","0.2064","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022169","12.3013","0.0017","25.064","0.004","30.495","0.004","90","","90","","90","","9402","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H56 N4 O11 -","- C53 H56 N4 O11 -","- C424 H448 N32 O88 -","8","1","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.2863","0.0641","","","0.0746","0.0941","","","","","","0.801","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022216","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022256","18.172","0.005","12.733","0.007","10.866","0.005","90","","90","","90","","2514","2","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl3 N O3 -","- C8 H12 Cl2.996 N O3 -","- C64 H96 Cl23.968 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1593","0.0862","","","0.2246","0.2851","","","","","","1.015","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022259","14.347","0.002","17.944","0.002","11.441","0.002","90","","90","","90","","2945.4","0.5","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl3 N O3 -","- C11 H18 Cl3 N O3 -","- C88 H144 Cl24 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1425","0.0745","","0.0535","0.0501","","","","2.216","2.739","2.739","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022340","18.0619","0.0002","22.7317","0.0003","29.3777","0.0004","90","","90","","90","","12061.8","0.3","150","","150","","","","","","","","Synthesised as described.","6","P b c a","-P 2ac 2ab","61","","","","- C60 H93 N3 Ni O2 Si3 -","- C60 H93 N3 Ni O2 Si3 -","- C480 H744 N24 Ni8 O16 Si24 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","","0.0451","","","","0.0476","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022383","14.216","0.002","15.657","0.002","20.419","0.003","90","","90","","90","","4545","1.1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 N O8 S2 -","- C18 H19 Cl2 N O8 S2 -","- C144 H152 Cl16 N8 O64 S16 -","8","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1565","0.1058","","","0.3031","0.3543","","","","","","1.131","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022435","9.836","","15.162","","25.822","","90","","90","","90","","3851","","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C168 H224 O56 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.5406","","","0.156","0.0834","","","0.2403","0.3119","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022437","22.957","0.004","12.498","0.002","10.851","0.002","90","","90","","90","","3113.4","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","","Yishu Du; Xiyan Lu","A Phosphine-Catalyzed [3+2] Cycloaddition Strategy Leading to the First Total Synthesis of (-)-Hinesol","Journal of Organic Chemistry","2003","68","","6463","6465","10.1021/jo034281f","","","0.71069","MoKα","","0.1395","0.0522","","","0.1358","0.1672","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022593","12.6177","0.0003","10.3795","0.0003","30.5808","0.0008","90","","90","","90","","4005.03","0.18","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","Compound 14","2,11-di-tert-butyltriphenylene","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0722","0.0546","","","0.1357","0.1423","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022595","8.6605","0.0007","10.4742","0.0009","31.79","0.003","90","","90","","90","","2883.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Compound 17","2,7-dimethoxytriphenylene","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0482","0.0406","","","0.1132","0.1174","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022668","7.2553","0.0003","18.2486","0.0006","25.7308","0.0009","90","","90","","90","","3406.7","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","1.54178","CuKα","","0.0455","0.0446","","","0.1162","0.1174","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022675","14.196","0.005","9.713","0.005","15.483","0.005","90","0.005","90","0.005","90","0.005","2134.9","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl-4-acetyl-3-(methylthio)pyrrole-2-carboxylate","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","N. C. Misra; K. Panda; H. Ila; H. Junjappa","An Efficient Highly Regioselective Synthesis of 2,3,4-Trisubstituted Pyrroles by Cycloaddition of Polarized Ketene S,S- and N,S- Acetals with Activated Methylene Isocyanides","Journal of Organic Chemistry","2007","72","","1246","1251","10.1021/jo062139j","","x-ray","0.71069","MoKα","","0.0391","0.0368","","","0.0936","0.0952","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022684","8.027","0.005","13.87","0.011","36.175","0.014","90","","90","","90","","4028","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C208 H208 O24 -","8","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7107","","","0.1388","0.0741","","","0.1885","0.2134","","","","","","1.048","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022689","8.961","0.008","21.599","0.003","20.543","0.007","90","","90","","90","","3976","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H30 Br8 -","- C38 H30 Br8 -","- C152 H120 Br32 -","4","0.5","","Ritesh Nandy; Mahadevan Subramoni; Babu Varghese; Sethuraman Sankararaman","Intramolecular π-Stacking Interaction in a Rigid Molecular Hinge Substituted with 1-(Pyrenylethynyl) Units","Journal of Organic Chemistry","2007","72","","938","944","10.1021/jo062173y","","","0.71073","MoKα","","0.2364","0.0541","","","0.1425","0.2121","","","","","","0.96","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022698","17.7606","0.0017","10.0435","0.0009","20.3393","0.0019","90","","90","","90","","3628.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Xiyuan Yuan; Xiaobing Xu; Xiaobo Zhou; Jiwei Yuan; Lugen Mai; Yanzhong Li","Copper-Catalyzed Double N-Alkenylation of Amides: An Efficient Synthesis of Di- or Trisubstituted N-Acylpyrroles","Journal of Organic Chemistry","2007","72","","1510","1513","10.1021/jo062194s","","","0.71073","MoKα","","0.0917","0.0541","","","0.1258","0.1392","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022750","14.782","0.005","9.962","0.005","17.144","0.005","90","","90","","90","","2524.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,9a-dimethyl-1,2,3,3a,9,9a-hexahydropentaleno[1,2-b]indol-1,9-dione","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","A. K. Yadav; S. Peruncheralathan; H. Ila; H. Junjappa","Domino Carbocationic Rearrangement of α-[Bis(methylthio)methylene]alkyl-2-(3/2-indolyl)) Cyclopropyl Ketones","Journal of Organic Chemistry","2007","72","","1388","1394","10.1021/jo062302a","","","0.71069","MoKα","","0.0832","0.0579","","","0.13","0.1485","","","","","","1.066","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022751","7.4907","0.0004","13.1495","0.0008","18.5332","0.0012","90","","90","","90","","1825.5","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","1","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.0552","0.0424","","","0.101","0.1094","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022815","13.7345","0.0012","16.8989","0.0016","17.6432","0.0017","90","","90","","90","","4095","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C184 H176 N16 O40 -","8","1","","Jing Wu; Fang Fang; Wen-Ya Lu; Jun-Li Hou; Chuang Li; Zong-Quan Wu; Xi-Kui Jiang; Zhan-Ting Li; Yi-Hua Yu","Dynamic [2]Catenanes Based on a Hydrogen Bonding-Mediated Bis-Zinc Porphyrin Foldamer Tweezer: A Case Study","Journal of Organic Chemistry","2007","72","","2897","2905","10.1021/jo062523g","","","0.71073","MoKα","","0.0969","0.0459","","","0.093","0.1053","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022818","8.1872","0.0014","15.038","0.003","20.491","0.004","90","","90","","90","","2522.8","0.7","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C104 H104 Br8 O16 -","8","1","","Ireneusz Nowak; Morris J. Robins","Trifluoromethylation of Alkenyl Bromides and Iodides (Including 5-Iodouracils) with (CF~3~)~2~Hg and Cu (""Trifluoromethylcopper"")","Journal of Organic Chemistry","2007","72","","2678","2681","10.1021/jo062544a","","","0.71073","MoKα","","0.0638","0.0375","","","0.0898","0.1074","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022821","7.8118","0.0008","18.6118","0.0018","19.9122","0.0019","90","","90","","90","","2895.1","0.5","130","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C136 H144 O40 -","8","1","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0699","0.0479","","","0.1171","0.1256","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022826","17.156","0.003","11.5476","0.0018","22.209","0.003","90","","90","","90","","4400","1.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C208 H240 O40 -","8","1","","Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci","Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies","Journal of Organic Chemistry","2007","72","","3353","3359","10.1021/jo0625711","","","0.71073","MoKα","","0.0468","0.0318","","","0.0785","0.0841","","","","","","0.99","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022846","11.2623","0.0007","18.3286","0.0012","25.5214","0.0016","90","","90","","90","","5268.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H31 N O7 -","- C30 H31 N O7 -","- C240 H248 N8 O56 -","8","1","","Cyril Poriel; Mathilde Lachia; Claire Wilson; James R. Davies; Christopher J. Moody","Oxidative Rearrangement of Indoles: A New Approach to the EFHG-Tetracyclic Core of Diazonamide A","Journal of Organic Chemistry","2007","72","","2978","2987","10.1021/jo062627r","","","0.71073","MoKα","","0.0634","0.0427","","","0.1008","0.1078","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022859","19.757","0.004","8.9547","0.0016","21.234","0.004","90","","90","","90","","3756.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C160 H240 N16 O16 -","8","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski","2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of ""Proton Sponges"" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion","Journal of Organic Chemistry","2007","72","","3006","3019","10.1021/jo062667v","","","0.71073","MoKα","","0.0863","0.0508","","","0.0893","0.0982","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022867","14.8016","0.0008","10.8598","0.0005","24.891","0.001","90","","90","","90","","4001","0.4","153.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C192 H176 N16 O32 S8 -","8","1","","Yoko Murakami; Noriyuki Yoshimoto; Nobutaka Fujieda; Kei Ohkubo; Tatsuhiko Hasegawa; Kenji Kano; Shunichi Fukuzumi; Shinobu Itoh","Model Studies of 6,7-Indolequinone Cofactors of Quinoprotein Amine Dehydrogenases","Journal of Organic Chemistry","2007","72","","3369","3380","10.1021/jo0700272","","","0.7107","MoKα","","","0.033","","","","0.045","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022873","14.0661","0.0012","19.6477","0.0015","37.765","0.002","90","","90","","90","","10437","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cs641","","","- C48.5 H58 F12 N3 O14.5 P2 -","- C48.5 H58 F12 N3 O14.5 P2 -","- C388 H464 F96 N24 O116 P16 -","8","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.1694","0.1285","","","0.3295","0.3604","","","","","","1.284","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022881","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4023023","8.4574","0.0013","15.167","0.002","19.34","0.003","90","","90","","90","","2480.8","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Bor-Cherng Hong; Ming-Fun Wu; Hsing-Chang Tseng; Guo-Fong Huang; Cheng-Feng Su; Ju-Hsiou Liao","Organocatalytic Asymmetric Robinson Annulation of α,β-Unsaturated Aldehydes: Applications to the Total Synthesis of (+)-Palitantin","Journal of Organic Chemistry","2007","72","","8459","8471","10.1021/jo701477v","","","0.71073","MoKα","","0.2428","0.1066","","","0.1846","0.2313","","","","","","1.056","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023155","9.133","0.006","17.525","0.012","25.441","0.012","90","","90","","90","","4072","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O S7 -","- C14 H14 O S7 -","- C112 H112 O8 S56 -","8","1","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71075","MoKα","","0.0603","0.0502","","","0.132","0.1442","","","","","","1.05","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023234","10.5962","0.0001","7.6134","0.0001","44.5783","0.0006","90","","90","","90","","3596.27","0.13","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 I N4 O2 -","- C19 H17 I N4 O2 -","- C152 H136 I8 N32 O16 -","8","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.037","","","","0.093","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023279","7.9089","0.0015","19.01","0.004","28.786","0.006","90","","90","","90","","4327.8","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl2 O4 -","- C25 H22 Cl2 O4 -","- C200 H176 Cl16 O32 -","8","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0661","0.0463","","","0.1158","0.1277","","","","","","1.012","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023325","11.3026","0.0007","8.0682","0.0004","21.4599","0.0013","90","","90","","90","","1957","0.2","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Br N O2 -","- C8 H16 Br N O2 -","- C64 H128 Br8 N8 O16 -","8","1","","Grant R. Krow; Deepa Gandla; Weiwei Guo; Ryan A. Centafont; Guoliang Lin; Charles DeBrosse; Philip E. Sonnet; Ross, III, Charles W.; Harri G. Ramjit; Patrick J. Carroll; Kevin C. Cannon","Neighboring Group Participation in the Additions of Iodonium and Bromonium Ions to N-Alkoxycarbonyl-2-azabicyclo[2.2.n]alk-5-enes (n = 1,2)","Journal of Organic Chemistry","2008","73","","2114","2121","10.1021/jo702153q","","","0.71069","MoKα","","0.0307","0.0245","","","0.0606","0.0629","","","","","","0.982","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023372","10.5655","0.0006","10.4556","0.0006","27.2783","0.0015","90","","90","","90","","3013.4","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cl O2 S2 -","- C15 H11 Cl O2 S2 -","- C120 H88 Cl8 O16 S16 -","8","1","","Guodong Yin; Zihua Wang; Aihua Chen; Meng Gao; Anxin Wu; Yuanjiang Pan","A New Facile Approach to the Synthesis of 3-Methylthio-Substituted Furans, Pyrroles, Thiophenes, and Related Derivatives","Journal of Organic Chemistry","2008","73","","3377","3383","10.1021/jo702585s","","","0.71073","MoKα","","0.08","0.0681","","","0.1504","0.1566","","","","","","1.184","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023394","15.915","0.006","19.022","0.01","10.736","0.005","90","","90","","90","","3250","3","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(ethoxycarbonyl)-7-bromo-5,6,7,8-tetrahydro-5,6-dimethyl-8-oxonapthelene -2-carboxylic acid","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C128 H136 Br8 O40 -","8","1","","Wendy A. Loughlin; Ian D. Jenkins; Luke C. Henderson; Marc R. Campitelli; Peter C. Healy","Total Synthesis of (±)-Hyphodermins A and D","Journal of Organic Chemistry","2008","73","","3435","3440","10.1021/jo800227p","","","0.71069","MoKα","","0.132","0.0526","","","0.131","0.1621","","","","","","1.011","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023397","18.849","0.002","7.479","0.001","19.864","0.002","90","","90","","90","","2800.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","","Angela Salcedo; Luc Neuville; Jieping Zhu","Palladium-Catalyzed Intramolecular C-Arylation of Benzylic Carbon: Synthesis of 3-Benzoxazolylisoindolinones by a Sequence of Ugi-4CR/Postfunctionalization","Journal of Organic Chemistry","2008","73","","3600","3603","10.1021/jo800266y","","","0.71069","MoKα","","0.0638","0.0397","","","0.0952","0.1076","","","","","","1.047","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023408","8.368","0.005","13.83","0.007","23.727","0.013","90","","90","","90","","2746","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carbonitrile","","- C17 H21 N -","- C17 H21 N -","- C136 H168 N8 -","8","1","","Fraser F. Fleming; Guoqing Wei; Omar W. Steward","Cyclic Nitriles: Stereodivergent Addition-Alkylation-Cyclization to cis- and trans-Abietanes","Journal of Organic Chemistry","2008","73","","3674","3679","10.1021/jo8001062","","","0.71073","MoKα","","0.1159","0.0758","","","0.1943","0.2414","","","","","","1.079","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023470","15.2114","0.0003","16.3536","0.0004","17.9982","0.0003","90","","90","","90","","4477.3","0.2","113.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H30 O2 -","- C30 H30 O2 -","- C240 H240 O16 -","8","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0452","","","","0.1188","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023472","12.3267","0.0009","7.3356","0.0006","36.777","0.003","90","","90","","90","","3325.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C160 H120 N24 O32 -","8","1","","Leonid G. Voskressensky; Ilya V. Vorobiev; Tatyana N. Borisova; Alexey V. Varlamov","Synthesis and Reactivity of a Novel Class of Long-Lived Ammonium Ylides: Derivatives of Benzo[b]pyrrolo[2,1-f][1.6]naphthyridine","Journal of Organic Chemistry","2008","73","","4596","4601","10.1021/jo8003698","","","0.71073","MoKα","","0.1032","0.0878","","","0.1735","0.1827","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023531","10.9182","0.0008","14.5439","0.0011","21.0612","0.0016","90","","90","","90","","3344.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SiPr2P(C14H9)","9-Diisopropylthiophosphorylanthracene","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0315","0.0298","","","0.0796","0.0809","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023532","11.0214","0.0016","14.57","0.002","21.206","0.003","90","","90","","90","","3405.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SeiPr2P(C14H9)","9-Diisopropylselenophosphorylanthracene","","- C20 H23 P Se -","- C20 H23 P Se -","- C160 H184 P8 Se8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.023","0.0215","","","0.0586","0.0595","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023594","7.7559","0.0009","19.609","0.002","30.304","0.004","90","","90","","90","","4608.8","0.9","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","bicorannulenyl","bicorannulenyl","","- C40 H18 -","- C40 H18 -","- C320 H144 -","8","1","","David Eisenberg; Alexander S. Filatov; Edward A. Jackson; Mordecai Rabinovitz; Marina A. Petrukhina; Lawrence T. Scott; Roy Shenhar","Bicorannulenyl: Stereochemistry of a C~40~H~18~ Biaryl Composed of Two Chiral Bowls","Journal of Organic Chemistry","2008","73","","6073","6078","10.1021/jo800359z","","","0.71073","MoKα","","0.2063","0.0681","","","0.0801","0.1082","","","","","","1.049","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023650","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.5","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Michael D. Lainchbury; Marcus I. Medley; Piers M. Taylor; Paul Hirst; Wolfgang Dohle; Kevin I. Booker-Milburn","A Protecting Group Free Synthesis of (\±)-Neostenine via the [5 + 2] Photocycloaddition of Maleimides","Journal of Organic Chemistry","2008","73","","6497","6505","10.1021/jo801108h","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023713","8.905","0.0006","19.1445","0.0013","22.5916","0.0015","90","","90","","90","","3851.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Catelijne H. M. Amijs; Verónica López-Carrillo; Mihai Raducan; Patricia Pérez-Galán; Catalina Ferrer; Antonio M. Echavarren","Gold(I)-Catalyzed Intermolecular Addition of Carbon Nucleophiles to 1,5- and 1,6-Enynes","Journal of Organic Chemistry","2008","73","","7721","7730","10.1021/jo8014769","","","0.71073","MoKα","","0.066","0.049","","","0.1267","0.1396","","","","","","1.039","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023716","7.8398","0.0002","10.5404","0.0003","29.6581","0.001","90","","90","","90","","2450.79","0.12","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F3 O4 S -","- C11 H9 F3 O4 S -","- C88 H72 F24 O32 S8 -","8","1","","Simon Specklin; Philippe Bertus; Jean-Marc Weibel; Patrick Pale","A Versatile and Highly Stereoselective Access to Vinyl Triflates Derived from 1,3-Dicarbonyl and Related Compounds","Journal of Organic Chemistry","2008","73","","7845","7848","10.1021/jo8015049","","","0.71073","MoKα","","0.0671","0.0438","","","0.1126","0.1354","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023723","13.5621","0.0008","13.4559","0.0007","19.5848","0.0011","90","","90","","90","","3574","0.3","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C144 H200 N8 O24 S8 -","8","1","","Susannah C. Coote; Stephen P. Moore; Peter O'Brien; Adrian C. Whitwood; John Gilday","Organolithium-Mediated Conversion of β-Alkoxy Aziridines into Allylic Sulfonamides: Effect of the N-Sulfonyl Group and a Formal Synthesis of (\±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","7852","7855","10.1021/jo801586h","","","0.71073","MoKα","","0.0513","0.0375","","","0.0963","0.1063","","","","","","1.011","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023732","6.3597","0.0003","12.0086","0.0007","18.7931","0.001","90","","90","","90","","1435.25","0.13","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C56 H48 N16 O32 -","8","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","","0.71073","MoKα","","0.0403","0.0374","","","0.0975","0.1006","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023786","10.642","0.0002","8.3077","0.0002","38.1238","0.0008","90","","90","","90","","3370.55","0.12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","","Ronald Grigg; Visuvanathar Sridharan; Mufakhrul Shah; Simon Mutton; Colin Kilner; David MacPherson; Peter Milner","Regioselective Synthesis of N-Aminoisoindolones and Mono-N- and Di-N,N'-substituted Phthalazones Utilizing Hydrazine Nucleophiles in a Palladium-Catalyzed Three-Component Cascade Process","Journal of Organic Chemistry","2008","73","","8352","8356","10.1021/jo800822p","","x-ray","0.71073","MoKα","","0.1283","0.0872","","","0.2063","0.2456","","","","","","1.047","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023874","11.0169","0.0017","14.654","0.002","28.298","0.005","90","","90","","90","","4568.4","1.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N S -","- C13 H15 N S -","- C208 H240 N16 S16 -","16","2","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0763","0.0471","","","0.1071","0.1263","","","","","","1.018","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023882","14.5885","0.0018","8.2099","0.001","18.071","0.002","90","","90","","90","","2164.3","0.5","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N S -","- C12 H15 N S -","- C96 H120 N8 S8 -","8","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0595","0.041","","","0.0992","0.1138","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023919","20.3831","0.0014","14.5284","0.0009","23.2366","0.0015","90","","90","","90","","6881.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H51 N3 O5 S -","- C35 H51 N3 O5 S -","- C280 H408 N24 O40 S8 -","8","1","","Michael S. Wilson; Albert Padwa","A Stereoselective Approach to the Azaspiro[5.5]undecane Ring System Using a Conjugate Addition/Dipolar Cycloaddition Cascade: Application to the Total Synthesis of (±)-2,7,8-epi-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","9601","9609","10.1021/jo801295e","","","1.54178","CuKα","","0.1128","0.0457","","","0.1381","0.1775","","","","","","1.05","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023936","11.298","0.002","10.1305","0.0015","17.834","0.004","90","","90","","90","","2041.2","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Cl N O2 -","- C8 H16 Cl N O2 -","- C64 H128 Cl8 N8 O16 -","8","1","","Lijun Fan; Ashley M. Adams; Jason G. Polisar; Bruce Ganem","Studies on the Chemistry and Reactivity of α-Substituted Ketones in Isonitrile-Based Multicomponent Reactions","Journal of Organic Chemistry","2008","73","","9720","9726","10.1021/jo8019708","","","0.71073","MoKα","","0.0566","0.0382","","","0.0928","0.1025","","","","","","1.024","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023956","13.9531","0.0011","11.995","0.0009","14.7956","0.0012","90","","90","","90","","2476.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N4 -","- C14 H11 Cl N4 -","- C112 H88 Cl8 N32 -","8","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0563","0.0405","","","0.1065","0.1191","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023969","10.194","0.003","13.671","0.003","22.72","0.006","90","","90","","90","","3166.1","1.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.1118","0.0787","","","0.1496","0.1617","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023990","11.5196","0.0015","11.3782","0.0016","23.977","0.003","90","","90","","90","","3142.7","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl N4 -","- C18 H19 Cl N4 -","- C144 H152 Cl8 N32 -","8","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0666","0.0448","","","0.1016","0.1086","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024004","7.351","0.0015","12.071","0.002","28.875","0.006","90","","90","","90","","2562.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,2S,3R)-methyl 1-cyano-3-(methoxycarbonyloxy)- 2,3-dimethylcyclopentanecarboxylate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","","Fraser F. Fleming; Guoqing Wei; Zhiyu Zhang; Omar W. Steward","Cyclic Oxonitriles: Stereodivergent Grignard Addition-Alkylations","Journal of Organic Chemistry","2007","72","","5270","5275","10.1021/jo070678y","","","0.71073","MoKα","","0.0642","0.0451","","","0.1168","0.1278","","","","","","1.061","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024047","12.61","0.003","6.7441","0.0019","22.242","0.006","90","","90","","90","","1891.5","0.9","168","2","168","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H10 F8 -","- C26 H10 F8 -","- C104 H40 F32 -","4","0.5","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71073","MoKα","","0.0681","0.0428","","","0.0988","0.1145","","","","","","1.048","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024057","11.3159","0.0018","7.5465","0.0012","21.013","0.003","90","","90","","90","","1794.4","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N3 -","- C10 H11 N3 -","- C80 H88 N24 -","8","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","0.71073","MoKα","","0.0496","0.0435","","","0.122","0.1271","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024115","15.5426","0.0008","8.5151","0.0004","17.1816","0.0008","90","","90","","90","","2273.93","0.19","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","compound (6)","6-Hydroxy-2,2,5,8-tetramethylchroman","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0463","0.042","","","0.1161","0.1209","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024198","11.1322","0.0006","9.4331","0.0005","25.1364","0.0015","90","","90","","90","","2639.6","0.3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 F5 N O4 P -","- C10 H9 F5 N O4 P -","- C80 H72 F40 N8 O32 P8 -","8","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1034","0.0805","","","0.1607","0.1725","","","","","","1.26","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024215","15.851","0.002","19.184","0.003","23.951","0.004","90","","90","","90","","7282.8","1.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H42 B N7 P Rh -","- C40 H42 B N7 P Rh -","- C320 H336 B8 N56 P8 Rh8 -","8","1","","Jun Yang; Anthony Sabarre; Lauren R. Fraser; Brian O. Patrick; Jennifer A. Love","Synthesis of 1,1-Disubstituted Alkyl Vinyl Sulfides via Rhodium-Catalyzed Alkyne Hydrothiolation: Scope and Limitations","Journal of Organic Chemistry","2009","74","","182","187","10.1021/jo801644s","","","0.71073","MoKα","","0.0336","0.0241","","","0.0581","0.0657","","","","","","1.081","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024285","12.3707","0.0009","11.5748","0.0009","25.612","0.002","90","","90","","90","","3667.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Nathalie Chopin; Hélène Gérard; Isabelle Chataigner; Serge R. Piettre","Benzofurans as Efficient Dienophiles in Normal Electron Demand [4 + 2] Cycloadditions","Journal of Organic Chemistry","2009","74","","1237","1246","10.1021/jo802205d","","","0.71073","MoKα","","0.0593","0.0516","","","0.1492","0.1569","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024297","8.2119","0.0004","9.6137","0.0004","38.6588","0.0018","90","","90","","90","","3052","0.2","180","1","180","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0895","0.0783","","","0.1261","0.1282","","","","","","1.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024300","9.6108","0.0006","9.9743","0.0006","33.578","0.002","90","","90","","90","","3218.8","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C128 H160 O32 S8 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0554","0.0458","","","0.0996","0.1053","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024362","8.7421","0.0001","17.848","0.0003","12.4786","0.0002","90","","90","","90","","1947.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Paquette 1573","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0664","0.0399","","","0.0896","0.0999","","","","","","1.01","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024371","10.9084","0.0002","7.7113","0.0001","17.1754","0.0003","90","","90","","90","","1444.76","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C72 H48 Br8 -","4","0.5","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0263","0.0258","","","0.0664","0.0668","","","","","","1.134","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024372","13.4025","0.0003","14.1016","0.0003","32.0118","0.0006","90","","90","","90","","6050.1","0.2","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H30 -","- C44 H30 -","- C352 H240 -","8","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0321","0.0285","","","0.0753","0.0775","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024410","5.9053","0.0001","13.5525","0.0002","16.3577","0.0003","90","","90","","90","","1309.1","0.1","20","0.05","20","0.05","","","","","","","","3","P b c a","-P 2ac 2ab","61","Meldrum's Acid","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Deepak Chopra; Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton","Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study","Journal of Organic Chemistry","2009","74","","2389","2395","10.1021/jo8027054","","","0.71073","MoKα","","0.013","0.013","","","","0.023","0.015","","","","","1.0473","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024414","9.8701","0.0005","8.4761","0.0004","16.1109","0.0008","90","","90","","90","","1347.84","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis(1,1'-methyl-1,1'-(2-hydroxyethyl)tetrazolyl))tetrazene","","","- C8 H16 N12 O2 -","- C8 H16 N12 O2 -","- C32 H64 N48 O8 -","4","0.5","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0381","0.0271","","","0.0702","0.0782","","","","","","1.058","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024441","11.8759","0.0014","9.4026","0.0011","23.997","0.003","90","","90","","90","","2679.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methyl-4-p-tolyl-2H-1,4-benzoxazin-3(4H)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","Enguang Feng; He Huang; Yu Zhou; Deju Ye; Hualiang Jiang; Hong Liu","Copper(I)-Catalyzed One-Pot Synthesis of 2H-1,4-Benzoxazin-3-(4H)-ones fromo-Halophenols and 2-Chloroacetamides","Journal of Organic Chemistry","2009","74","","2846","2849","10.1021/jo802818s","","","0.71073","MoKα","","0.0854","0.0532","","","0.1305","0.1441","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024451","10.644","0.002","14.876","0.003","15.388","0.003","90","","90","","90","","2436.7","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C11 H15 N4 O3 -","- C11 H15 N4 O3 -","- C88 H120 N32 O24 -","8","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1024","0.0668","","","0.1989","0.2185","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024482","10.9199","0.0001","13.5197","0.0002","40.234","0.0005","90","","90","","90","","5939.9","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl N O5 S2 -","- C60 H62 Cl2 N2 O11 S4 -","- C240 H248 Cl8 N8 O44 S16 -","4","0.5","","Yuhui Ma; Mang Wang; Dan Li; Bahargul Bekturhun; Jun Liu; Qun Liu","α-Alkenoyl Ketene S,S-Acetal-Based Multicomponent Reaction: An Efficient Approach for the Selective Construction of Polyfunctionalized Cyclohexanones","Journal of Organic Chemistry","2009","74","","3116","3121","10.1021/jo900217g","","","0.71073","MoKα","","0.055","0.0488","","","0.1424","0.1475","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024516","11.3308","0.0003","7.2577","0.0002","39.1469","0.0009","90","","90","","90","","3219.27","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","triazolomorpholine","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C144 H128 N32 O24 -","8","1","","Chinmay Chowdhury; Sanjukta Mukherjee; Bimolendu Das; Basudeb Achari","Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium-Copper Catalysis","Journal of Organic Chemistry","2009","74","","3612","3615","10.1021/jo900428j","","","0.71073","MoKα","","0.0608","0.0465","","","0.1491","0.1662","","","","","","1.121","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024521","10.2395","0.0003","8.8488","0.0002","25.3299","0.0007","90","","90","","90","","2295.07","0.11","298","","","","","","","","","","Synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C96 H88 F16 N8 O16 -","8","1","","Teerawut Bootwicha; Duanghathai Panichakul; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Fluoride-Catalyzed Addition of PhSCF2SiMe3 to N-Substituted Cyclic Imides Followed by Radical Cyclization: General Synthetic Strategy of gem-Difluoromethylenated 1-Azabicyclic Compounds","Journal of Organic Chemistry","2009","74","","3798","3805","10.1021/jo802794u","","","0.71073","MoKα","","0.0587","0.0417","","","0.1085","0.1202","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024550","11.7089","0.0017","11.4168","0.0017","14.228","0.002","90","","90","","90","","1902","0.5","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C72 H112 N16 O16 -","4","0.5","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1385","0.1282","","","0.1829","0.1873","","","","","","1.284","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024558","12.37","0.003","11.328","0.002","21.465","0.004","90","","90","","90","","3007.8","1.1","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.044","0.042","","","0.112","0.115","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024560","13.0782","0.0019","11.7364","0.0017","18.817","0.003","90","","90","","90","","2888.3","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.045","0.044","","","0.107","0.107","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024579","7.026","0.001","16.043","0.005","26.047","0.004","90","","90","","90","","2936","1.1","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F3 N2 O -","- C16 H15 F3 N2 O -","- C128 H120 F24 N16 O8 -","8","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.12","0.0576","","","0.1609","0.1809","","","","","","1.018","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024581","17.1113","0.0004","17.2951","0.0004","18.4728","0.0005","90","","90","","90","","5466.9","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F3 N2 -","- C15 H15 F3 N2 -","- C240 H240 F48 N32 -","16","2","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0574","0.0536","","","0.1483","0.1521","","","","","","1.065","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024587","16.8637","0.0011","11.4353","0.0008","19.0576","0.0013","90","","90","","90","","3675.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4024602","14.0071","0.0018","9.1925","0.0012","22.496","0.003","90","","90","","90","","2896.6","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C136 H128 N16 O8 -","4","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.71073","MoKα","","0.086","0.0388","","","0.0696","0.0809","","","","","","0.805","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024624","8.0498","0.0004","14.0184","0.0007","34.4239","0.0017","90","","90","","90","","3884.6","0.3","233","","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N O2 S -","- C26 H17 N O2 S -","- C208 H136 N8 O16 S8 -","8","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0509","0.0475","","","0.1379","0.1421","","","","","","1.111","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024671","11.606","0.006","10.041","0.005","19.245","0.007","90","","90","","90","","2242.7","1.8","150","2","150","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C64 H112 N16 O16 S8 -","8","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0718","0.0569","","","0.1722","0.1857","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024715","11.7327","","13.6679","0.0006","28.761","0.002","90","","90","","90","","4612.2","0.4","200","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 F3 N5 O3 S -","- C20 H26 F3 N5 O3 S -","- C160 H208 F24 N40 O24 S8 -","8","1","","Horacio Comas; Gérald Bernardinelli; Dominique Swinnen","A Straightforward, One-Pot Protocol for the Synthesis of Fused 3-Aminotriazoles","Journal of Organic Chemistry","2009","74","","5553","5558","10.1021/jo9009084","","","0.71073","MoKα","","","0.046","","","","0.042","","","","","","1.38","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024723","21.5067","0.0017","16.3341","0.0013","26.994","0.002","90","","90","","90","","9482.9","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H46 N4 O15 Os2 -","- C43 H46 N4 O15 Os2 -","- C344 H368 N32 O120 Os16 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.1109","0.0691","","","0.1116","0.1178","","","","","","1.289","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024790","8.424","0.003","23.69","0.05","25.474","0.009","90","","90","","90","","5083","10","150","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C240 H320 O48 -","16","2","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0992","0.0346","","","0.0465","0.0526","","","","","","0.71","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024796","9.3426","0.0007","15.8436","0.0008","17.0456","0.001","90","","90","","90","","2523.1","0.3","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C96 H128 N16 O16 -","8","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.0983","0.0462","","","0.1056","0.1291","","","","","","1.03","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024801","9.8908","0.0003","12.4381","0.0003","18.2355","0.0005","90","","90","","90","","2243.38","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Pd -","- C14 H14 Pd -","- C112 H112 Pd8 -","8","1","","Danielle M. Norton; Emily A. Mitchell; Nerine R. Botros; Philip G. Jessop; Michael C. Baird","A Superior Precursor for Palladium(0)-Based Cross-Coupling and Other Catalytic Reactions","Journal of Organic Chemistry","2009","74","","6674","6680","10.1021/jo901121e","","","0.71073","MoKα","","0.0296","0.0227","","","0.0514","0.0557","","","","","","1.045","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024837","16.431","0.003","7.8966","0.0013","37.563","0.006","90","","90","","90","","4873.6","1.4","163","2","163","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O3 S Si -","- C24 H34 N2 O3 S Si -","- C192 H272 N16 O24 S8 Si8 -","8","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0481","0.037","","","0.0914","0.0986","","","","","","1.101","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024846","9.986","0.005","19.659","0.005","20.658","0.005","90","","90","","90","","4055","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C184 H184 N8 O24 S8 -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.1385","0.0586","","","0.1404","0.1829","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024863","10.2065","0.0019","9.2995","0.0017","28.631","0.005","90","","90","","90","","2717.5","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0584","0.0414","","","0.116","0.1318","","","","","","1.069","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024883","13.4214","0.0014","13.9761","0.0014","15.4338","0.0016","90","","90","","90","","2895.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C136 H144 N16 O24 -","8","1","","Pinhong Chen; Lidong Cao; Chaozhong Li","Protecting-Group-Free Total Synthesis of (\±)-Subincanadine F","Journal of Organic Chemistry","2009","74","","7533","7535","10.1021/jo901444e","","","0.71073","MoKα","","0.0954","0.046","","","0.0847","0.0961","","","","","","0.862","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024894","7.023","0.003","18.157","0.008","33.402","0.013","90","","90","","90","","4259","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 B F10 N -","- C23 H14 B F10 N -","- C184 H112 B8 F80 N8 -","8","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0665","0.0461","","","0.0972","0.1093","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024923","10.7308","0.0005","16.4002","0.0007","18.9778","0.0008","90","","90","","90","","3339.9","0.3","150","2","150","2","","","","","","","Mairi Rudkin","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.0476","0.0452","","","0.1059","0.1074","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024943","9.5311","0.0005","15.1592","0.0009","18.926","0.0011","90","","90","","90","","2734.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0581","0.0509","","","0.1235","0.1284","","","","","","1.097","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024944","10.018","","26.454","","29.788","","90","","90","","90","","7894.3","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74.5 H11 N O S -","- C74.5 H11 N O S -","- C596 H88 N8 O8 S8 -","8","1","","Fang-Fang Li; Wei-Wei Yang; Guo-Bao He; Xiang Gao","Formation of Fullerooxazoles from C61HPh3-: The Regioselectivity of Heteroatom Additions","Journal of Organic Chemistry","2009","74","","8071","8077","10.1021/jo9012207","","","0.71073","MoKα","","0.206","0.0816","","","0.1736","0.233","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024952","23.8516","0.0008","12.797","0.0004","24.0205","0.0008","90","","90","","90","","7331.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl4 N2 O4 Pd -","- C32 H46 Cl4 N2 O4 Pd -","- C256 H368 Cl32 N16 O32 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0624","0.0319","","","0.053","0.055","","","","","","1.441","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4024974","14.9852","0.0008","5.7581","0.0003","26.3143","0.0012","90","","90","","90","","2270.6","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methoxy-2-phenylbenzofuran","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Ikyon Kim; Kyungsun Kim; Jungeun Choi","A Direct Approach to 5-Hydroxybenzofurans via a Platinum-Catalyzed Domino Rearrangement/5-endo-dig Cyclization Reaction of Quinols","Journal of Organic Chemistry","2009","74","","8492","8495","10.1021/jo901937u","","","0.71073","MoKα","","0.0892","0.0408","","","0.0951","0.1135","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024980","13.9575","0.0007","10.1923","0.0005","30.3753","0.0015","90","","90","","90","","4321.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Gagik G. Melikyan; Ryan Spencer; Edwin Abedi","Stereoselective Synthesis of meso-1,5-Cyclodecadiynes","Journal of Organic Chemistry","2009","74","","8541","8546","10.1021/jo901404f","","","1.54178","CuKα","","0.0369","0.0327","","","0.0919","0.0952","","","","","","1.026","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024986","17.706","0.008","11.613","0.005","25.186","0.011","90","","90","","90","","5179","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H52 Cl6 O4 -","- C54.002 H52.002 Cl6.006 O4 -","- C216.008 H208.008 Cl24.024 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.156","0.0895","","","0.2471","0.2879","","","","","","1.061","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024987","17.6358","0.0012","11.6978","0.0008","25.0919","0.0018","90","","90","","90","","5176.5","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H50 Cl8 O4 -","- C54 H50 Cl8 O4 -","- C216 H200 Cl32 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.072","0.0584","","","0.1573","0.1693","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025025","17.9005","0.0011","5.8609","0.0004","25.563","0.0016","90","","90","","90","","2681.9","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C112 H104 Cl8 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.055","0.0452","","","0.0796","0.081","","","","","","1.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025031","17.6881","0.0009","5.8655","0.0003","27.0846","0.0015","90","","90","","90","","2810","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C112 H96 Cl16 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0425","0.0364","","","0.0745","0.0759","","","","","","1.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025048","11.1345","0.0001","18.9292","0.0002","15.6921","0.0002","90","","90","","90","","3307.38","0.06","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Hart 1731","","","- C16 H26 O3 Si -","- C16 H26 O3 Si -","- C128 H208 O24 Si8 -","8","1","","Dexi Yang; Valerie Cwynar; Matthew G. Donahue; David J. Hart; Grace Mbogo","Two Approaches to Diverting the Course of a Free-Radical Cyclization: Application of Cyclopropylcarbinyl Radical Fragmentations and Allenes as Radical Acceptors","Journal of Organic Chemistry","2009","74","","8726","8732","10.1021/jo901834q","","x-ray","0.71073","MoKα","","0.0561","0.037","","","0.0919","0.0993","","","","","","1.044","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025096","9.457","0.001","13.107","0.001","28.175","0.001","90","","90","","90","","3492.4","0.5","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C160 H288 O24 -","8","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0932","0.0449","","","0.1","0.1134","","","","","","1.006","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025103","13.518","0.003","14.76","0.003","13.255","0.003","90","","90","","90","","2644.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0539","","","","0.0647","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025104","13.609","0.003","14.887","0.003","13.149","0.004","90","","90","","90","","2663.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0629","","","","0.0656","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025146","9.4943","0.0019","10.749","0.002","27.628","0.006","90","","90","","90","","2819.6","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Fang-Gang Sun; Xue-Liang Huang; Song Ye","Diastereoselective Synthesis of 4-Hydroxytetralones via a Cascade Stetter-Aldol Reaction Catalyzed by N-Heterocyclic Carbenes","Journal of Organic Chemistry","2010","75","","273","276","10.1021/jo902376t","","","0.71073","MoKα","","0.0534","0.0499","","","0.1156","0.1178","","","","","","1.219","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025147","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F N9 O6 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0698","0.0585","","","0.1632","0.1704","","","","","","1.081","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025201","10.9112","0.0009","7.7032","0.0007","34.108","0.003","90","","90","","90","","2866.8","0.4","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H20 F6 -","- C42 H20 F6 -","- C168 H80 F24 -","4","0.5","","Jinling Li; Kai Zhang; Xiaojie Zhang; Kuo-Wei Huang; Chunyan Chi; Jishan Wu","meso-Substituted Bisanthenes as Soluble and Stable Near-infrared Dyes","Journal of Organic Chemistry","2010","75","","856","863","10.1021/jo902413h","","","0.71073","MoKα","","0.1053","0.0775","","","0.1543","0.167","","","","","","1.109","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025212","15.151","0.0004","8.909","0.0006","17.225","0.0008","90","","90","","90","","2325","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F3 N O4 -","- C10 H12 F3 N O4 -","- C80 H96 F24 N8 O32 -","8","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez","Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane","Journal of Organic Chemistry","2010","75","","545","552","10.1021/jo9025258","","","0.71073","MoKα","","0.0871","0.0619","","","0.1561","0.1764","","","","","","1.117","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025241","6.542","0.004","9.1","0.006","19.268","0.012","90","","90","","90","","1147.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","NDS","NDS","","- C14 H8 Se2 -","- C14 H8 Se2 -","- C56 H32 Se8 -","4","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0543","0.0375","","","0.0755","0.0797","","","","","","0.723","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025367","11.0171","0.0007","8.4841","0.0005","25.5815","0.0014","90","","90","","90","","2391.1","0.2","123","","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","","Christoph Beyer; Hans-Achim Wagenknecht","Synthesis of Spiropyrans As Building Blocks for Molecular Switches and Dyads","Journal of Organic Chemistry","2010","75","","2752","2755","10.1021/jo100309r","","","0.71073","MoKα","","0.0478","0.0387","","","0.0987","0.102","","","","","","1.059","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025368","20.555","0.0014","7.568","0.0005","23.917","0.0016","90","","90","","90","","3720.5","0.4","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Quinazolino benzodiazepinone","","","- C20 H18 Cl2 N4 O -","- C20 H18 Cl2 N4 O -","- C160 H144 Cl16 N32 O8 -","8","1","","Umesh A. Kshirsagar; Vedavati G. Puranik; Narshinha P. Argade","Total Synthesis of Proposed Auranthine","Journal of Organic Chemistry","2010","75","","2702","2705","10.1021/jo100400z","","","0.71073","MoKα","","0.08","0.0605","","","0.1708","0.1879","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025382","12.453","0.005","8.941","0.003","18.435","0.007","90","","90","","90","","2052.6","1.3","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 S -","- C8 H15 N O3 S -","- C64 H120 N8 O24 S8 -","8","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71075","MoKα","","0.0829","0.0542","","","0.172","0.2255","","","","","","1.163","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025416","11.7935","0.0011","16.0031","0.0019","20.98","0.002","90","","90","","90","","3959.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H11 Cl3 N2 O4 -","- C22 H11 Cl3 N2 O4 -","- C176 H88 Cl24 N16 O32 -","8","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","1.54178","CuKα","","0.0838","0.046","","","0.0946","0.108","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025448","7.5286","0.0007","14.7366","0.0014","25.678","0.003","90","","90","","90","","2848.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Lei Zhang; Deju Ye; Yu Zhou; Guannan Liu; Enguang Feng; Hualiang Jiang; Hong Liu","Regioselective Synthesis of 3-Benzazepinones and Unexpected 5-Bromo-3-benzazepinones","Journal of Organic Chemistry","2010","75","","3671","3677","10.1021/jo100378u","","","0.71073","MoKα","","0.0723","0.0549","","","0.144","0.1541","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025457","9.0602","0.0005","15.1638","0.001","30.002","0.002","90","","90","","90","","4121.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Cl N O4 S -","- C22 H22 Cl N O4 S -","- C176 H176 Cl8 N8 O32 S8 -","8","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.064","0.0548","","","0.1152","0.1201","","","","","","1.199","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025478","11.4683","0.0016","9.2237","0.0013","40.205","0.006","90","","90","","90","","4252.9","1.1","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H18 O4 -","- C28 H18 O4 -","- C224 H144 O32 -","8","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0962","0.057","","","0.1125","0.128","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025514","10.915","0.002","8.91","0.0018","23.635","0.005","90","","90","","90","","2298.6","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H21 N O6 -","- C9 H21 N O6 -","- C72 H168 N8 O48 -","8","1","","Yuanping Jie; Peter Livant; Hui Li; Minmin Yang; Wei Zhu; Vince Cammarata; Philip Almond; Tyler Sullens; Yu Qin; Eric Bakker","An Acyclic Trialkylamine Virtually Planar at Nitrogen. Some Chemical Consequences of Nitrogen Planarity","Journal of Organic Chemistry","2010","75","","4472","4479","10.1021/jo100628v","","","0.71073","MoKα","","0.0378","0.0361","","","0.1009","0.1032","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025546","7.2714","0.0016","18.978","0.003","25.506","0.003","90","","90","","90","","3519.7","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Ivan A. Yaremenko; Vladimir V. Chernyshev; Gennady I. Nikishin","Synthesis of Asymmetric Peroxides: Transition Metal (Cu, Fe, Mn, Co) Catalyzed Peroxidation of β-Dicarbonyl Compounds with tert-Butyl Hydroperoxide","Journal of Organic Chemistry","2010","75","","5065","5071","10.1021/jo100793j","","x-ray","1.54184","CuKα","","0.0968","0.0702","","","0.1921","0.216","","","","","","1.057","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025549","21.7455","0.0008","19.1533","0.0008","25.0365","0.0011","90","","90","","90","","10427.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H104 Ba2 Cl4 N4 O36 -","- C84 H104 Ba2 Cl4 N4 O36 -","- C336 H416 Ba8 Cl16 N16 O144 -","4","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","0.71073","MoKα","","0.0952","0.0818","","","0.2298","0.2395","","","","","","1.168","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025580","12.787","0.005","7.464","0.003","23.799","0.01","90","","90","","90","","2271.4","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Yu-Ming Zhao; Peiming Gu; Yong-Qiang Tu; Hai-Jun Zhang; Qing-Wei Zhang; Chun-An Fan","One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3: Rapid Access to Polycyclic Alkaloids","Journal of Organic Chemistry","2010","75","","5289","5295","10.1021/jo101226r","","","0.71073","MoKα","","0.0627","0.0415","","","0.092","0.1015","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025620","11.628","0.0002","12.1588","0.0002","14.4292","0.0002","90","","90","","90","","2040.04","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,5-trifluoro-6-nitrobiphenyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C96 H48 F24 N8 O16 -","8","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0518","0.0414","","","0.1206","0.1302","","","","","","1.08","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025634","18.588","0.013","8.804","0.006","22.536","0.016","90","","90","","90","","3688","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl N4 O -","- C22 H15 Cl N4 O -","- C176 H120 Cl8 N32 O8 -","8","1","","Hai-Ming Guo; Pu Li; Hong-Ying Niu; Dong-Chao Wang; Gui-Rong Qu","Direct Synthesis of 6-Arylpurines by Reaction of 6-Chloropurines with Activated Aromatics","Journal of Organic Chemistry","2010","75","","6016","6018","10.1021/jo1010334","","","0.71073","MoKα","","0.0778","0.0494","","","0.1134","0.1316","","","","","","1.025","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025646","19.6437","0.0009","7.677","0.0004","24.64","0.0011","90","","90","","90","","3715.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C168 H152 N8 O24 S8 -","8","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0851","0.0538","","","0.1452","0.1745","","","","","","1.054","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025657","16.2623","0.001","11.1128","0.001","19.894","0.001","90","","90","","90","","3595.2","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Eric Gayon; Olivier Debleds; Marie Nicouleau; Frederic Lamaty; Arie van der Lee; Emmanuel Vrancken; Jean-Marc Campagne","Highly Diastereoselective Baldwin Rearrangement of Isoxazolines intocis-Acylaziridines","Journal of Organic Chemistry","2010","75","","6050","6053","10.1021/jo101273d","","","0.71073","MoKα","","0.1007","0.0448","","0.0803","0.0522","0.0522","","","","","","0.9605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025695","8.5967","0.0015","16.076","0.003","21.506","0.004","90","","90","","90","","2972.1","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H58 P2 Pd -","- C26 H58 P2 Pd -","- C104 H232 P8 Pd4 -","4","0.5","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0278","0.02","","","0.048","0.051","","","","","","1.043","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025701","10.5863","0.0003","14.001","0.0004","25.4484","0.0008","90","","90","","90","","3771.93","0.19","183","2","183","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C168 H208 O48 -","8","1","","Dae Won Cho; Ramakrishnan Parthasarathi; Adam S. Pimentel; Gabriel D. Maestas; Hea Jung Park; Ung Chan Yoon; Debra Dunaway-Mariano; S. Gnanakaran; Paul Langan; Patrick S. Mariano","Nature and Kinetic Analysis of Carbon-Carbon Bond Fragmentation Reactions of Cation Radicals Derived from SET-Oxidation of Lignin Model Compounds","Journal of Organic Chemistry","2010","75","","6549","6562","10.1021/jo1012509","","","0.71073","MoKα","","0.0518","0.042","","","0.1279","0.1429","","","","","","1","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025709","6.9676","0.0005","15.4981","0.0011","22.8186","0.0017","90","","90","","90","","2464.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C128 H80 O16 S8 -","8","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0447","0.0386","","","0.0933","0.0974","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025727","5.9154","0.0001","20.1928","0.0003","26.1972","0.0004","90","","90","","90","","3129.22","0.09","150","2","150","2","","","","","","","synthesized by the authors","3","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C176 H96 Cl16 -","8","1","","Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý","A Versatile Synthesis of Functionalized Pentahelicenes","Journal of Organic Chemistry","2010","75","","6889","6899","10.1021/jo1013977","","","0.71073","MoKα","","0.0481","0.035","","","0.0907","0.0993","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025785","17.1302","0.0008","11.1791","0.0005","23.5654","0.0011","90","","90","","90","","4512.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene","","- C18 H14 Br8 -","- C18 H14 Br8 -","- C144 H112 Br64 -","8","1","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.0502","0.0281","","","0.0571","0.0616","","","","","","0.998","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025791","14.106","0.016","15.139","0.011","16.168","0.013","90","","90","","90","","3453","5","296.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C184 H152 N8 O16 -","8","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0359","","","","0.0433","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025834","7.5332","0.0012","18.566","0.003","33.103","0.005","90","","90","","90","","4629.8","1.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C232 H216 N8 O32 -","8","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.7107","MoKα","","0.1325","0.0652","","","0.1312","0.1698","","","","","","1.016","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025835","9.9479","0.0015","15.727","0.002","19.8","0.003","90","","90","","90","","3097.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Andria M. Panagopoulos; Matthias Zeller; Daniel P. Becker","Synthesis of an ortho-Triazacyclophane:N,N',N''-Trimethyltribenzo-1,4,7-triazacyclononatriene","Journal of Organic Chemistry","2010","75","","7887","7892","10.1021/jo1017074","","","0.71073","MoKα","","0.0972","0.0521","","","0.1043","0.1191","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025874","13.3258","0.0007","18.9082","0.0009","29.0052","0.0015","90","","90","","90","","7308.4","0.6","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C320 H368 N48 O16 -","16","2","","Lisa M. Jordan; Paul D. Boyle; Andrew L. Sargent; William E. Allen","Binding of Carboxylic Acids by Fluorescent Pyridyl Ureas","Journal of Organic Chemistry","2010","75","","8450","8456","10.1021/jo101730w","","","0.71073","MoKα","","0.1402","0.092","","","0.256","0.3037","","","","","","1.027","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025904","10.9224","0.0006","7.7301","0.0004","34.5866","0.0018","90","","90","","90","","2920.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0537","0.0365","","","0.1071","0.1216","","","","","","0.903","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025931","14.528","0.002","13.544","0.002","21.691","0.003","90","","90","","90","","4268.1","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C176 H240 Br8 N8 O24 -","8","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1615","0.0772","","","0.2","0.2495","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025940","7.08444","0.0001","13.3213","0.0002","31.0102","0.0004","90","","90","","90","","2926.56","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C120 H104 Br8 F32 O24 -","8","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0372","0.0313","","","0.0853","0.0887","","","","","","1.069","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026076","9.6025","0.0002","17.6676","0.0004","20.1254","0.0004","90","","90","","90","","3414.34","0.13","104","2","104","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0511","0.0453","","","0.1237","0.1307","","","","","","1.055","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026128","12.513","0.0003","12.6052","0.0003","19.5281","0.0005","90","","90","","90","","3080.15","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shu-Chun Zhao; Xing-Zhong Shu; Ke-Gong Ji; An-Xi Zhou; Ting He; Xue-Yuan Liu; Yong-Min Liang","Pd(0)-Catalyzed [1,5]-Sigmatropic Hydrogen Shift of Propargylic Esters toward Substituent Naphthylamines","Journal of Organic Chemistry","2011","76","","1941","1944","10.1021/jo1024267","","","0.71073","MoKα","","0.0673","0.039","","","0.0892","0.1031","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026153","12.7109","0.0007","17.8216","0.001","19.5965","0.0011","90","","90","","90","","4439.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(R)-5-(N-tert-Butoxycarbonyl)-[(S)-(2-methoxyphenylamino)- (phenyl)methyl]-1H-pirrol-2(5H)one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","","Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi","anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines","Journal of Organic Chemistry","2011","76","","2248","2252","10.1021/jo1021234","","","0.71073","MoKα","","0.1137","0.051","","","0.1518","0.1872","","","","","","0.822","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026233","9.3845","0.001","11.3527","0.0012","27.088","0.003","90","","90","","90","","2885.9","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H19 B10 N O -","- C8 H19 B10 N O -","- C64 H152 B80 N8 O8 -","8","1","","Rashmirekha Satapathy; Barada Prasanna Dash; Chong Zheng; John A. Maguire; Narayan S. Hosmane","Carboranylpyrroles: A Synthetic Investigation","Journal of Organic Chemistry","2011","76","","3562","3565","10.1021/jo2000463","","","0.71073","MoKα","","0.1012","0.101","","","0.1817","0.1818","","","","","","1.498","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026269","9.9089","0.0004","16.8338","0.0007","17.9452","0.0007","90","","90","","90","","2993.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.1032","0.0537","","","0.1243","0.1508","","","","","","1.018","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026280","6.7062","0.0004","23.8749","0.0015","42.484","0.003","90","","90","","90","","6802.1","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B F2 N3 O -","- C20 H15.837 B F2 N3 O1.003 -","- C320 H253.392 B16 F32 N48 O16.048 -","16","2","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.1176","0.1048","","","0.2163","0.2227","","","","","","1.179","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026282","13.1526","0.0004","15.4333","0.0005","38.6669","0.0011","90","","90","","90","","7848.9","0.4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C320 H336 N48 O16 S32 -","16","2","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0918","0.0744","","","0.1633","0.1708","","","","","","1.19","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026358","14.1009","0.0003","12.1784","0.0002","17.5284","0.0004","90","","90","","90","","3010.09","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br N O -","- C16 H20 Br N O -","- C128 H160 Br8 N8 O8 -","8","1","","Andrew J. Clark; Dennis P. Curran; Joanna V. Geden; Natalie James; Paul Wilson","Bond Rotation Dynamics of Enamides: The Effect of the Acyl Group and Potential for Chirality Transfer during 5-Endo Trig Radical Cyclizations","Journal of Organic Chemistry","2011","76","","4546","4551","10.1021/jo200343z","","","0.71073","MoKα","","0.0606","0.0368","","","0.0909","0.0948","","","","","","1.038","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026391","8.7111","0.0017","8.7795","0.0017","19.621","0.004","90","","90","","90","","1500.6","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,11-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C80 H64 S8 -","4","0.5","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0518","0.0428","","","0.1186","0.1247","","","","","","1.113","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026415","13.169","0.009","7.432","0.002","14.718","0.009","90","","90","","90","","1440.5","1.4","123","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O S -","- C8 H8 O S -","- C64 H64 O8 S8 -","8","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.073","","","0.077","","","","","2.026","2.026","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026425","7.3229","0.0018","6.0225","0.0015","19.985","0.005","90","","90","","90","","881.4","0.4","143","1","143","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","2,6-dimethylnaphthalene","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0495","0.0385","","","0.1026","0.1106","","","","","","1.059","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026530","15.8125","0.0006","8.2142","0.0002","24.8634","0.0008","90","","90","","90","","3229.43","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C144 H112 N32 O40 -","8","1","","Anna M. Said; G. Paul Savage","Atropisomerism-Induced Facial Selectivity in Nitrile Oxide Cycloadditions with 5-Methylenehydantoins","Journal of Organic Chemistry","2011","76","","6946","6950","10.1021/jo2011818","","","0.71073","MoKα","","0.0512","0.0411","","","0.1012","0.1079","","","","","","1.031","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026562","7.4737","0.0014","12.984","0.002","23.026","0.004","90","","90","","90","","2234.4","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0676","0.0532","","","0.1019","0.1087","","","","","","1.001","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026584","7.532","0.0004","15.8313","0.0008","18.9055","0.001","90","","90","","90","","2254.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","12,12-Dibromotetracyclo[6.3.1.0^1,8^.0^2,6^]dodec-2(6)-en-7-one","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C96 H96 Br16 O8 -","8","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0427","0.0226","","","0.0475","0.0551","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026644","9.5579","0.0019","14.88","0.003","23.185","0.005","90","","90","","90","","3297.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H38 N6 -","- C40 H38 N6 -","- C160 H152 N24 -","4","0.5","","Brian S. Young; Felix Köhler; Rainer Herges; Michael M. Haley","Phenanthrene-Fused Azo-ene-ynes: Synthesis of Dibenzo[f,h]cinnoline and Dibenzo[e,g]isoindazole Derivatives","Journal of Organic Chemistry","2011","76","","8483","8487","10.1021/jo201378t","","","0.71073","MoKα","","0.0607","0.0433","","","0.0992","0.1104","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026795","25.823","0.008","25.671","0.009","26.199","0.009","90","","90","","90","","17367","10","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H68 N8 O4 -","- C45 H66 N8 O4 -","- C720 H1056 N128 O64 -","16","2","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","1.54178","CuKα","","0.1356","0.0694","","","0.1253","0.1467","","","","","","1.033","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026844","24.3175","0.0005","22.5604","0.0005","27.6744","0.0006","90","","90","","90","","15182.5","0.6","99","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Diethyl ether)tris(tetrahydrofuran)lithium (diethyl ether)lithium tris[(4,4'-bis(1,1- dimethylethyl)biphenyl-2,2'-diyl]zirconate(IV) (diethyl ether) hemisolvate","","","- C82 H121 Li2 O5.5 Zr -","- C82 H121 Li2 O5.5 Zr -","- C656 H968 Li16 O44 Zr8 -","8","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0782","0.05","","","0.1292","0.1428","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026870","8.9673","0.0002","18.5999","0.0004","24.5171","0.0006","90","","90","","90","","4089.23","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C176 H288 O32 -","16","2","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0624","0.0425","","","0.1153","0.1473","","","","","","1.055","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026937","11.8147","0.0003","13.0024","0.0003","14.156","0.0003","90","","90","","90","","2174.64","0.09","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 F O3 -","- C14 H13 F O3 -","- C112 H104 F8 O24 -","8","1","","Michael T. Scerba; Steven Bloom; Nathan Haselton; Maxime Siegler; Jake Jaffe; Thomas Lectka","Interaction of a C-F Bond with the π-System of a C=C Bond or ""Head On"" with a Proximate C-H Bond","Journal of Organic Chemistry","2012","77","","1605","1609","10.1021/jo2024152","","","0.71073","MoKα","","0.0557","0.0393","","","0.0957","0.1012","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026948","13.42","0.002","7.6711","0.0013","25.275","0.004","90","","90","","90","","2602","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0743","0.0503","","","0.1101","0.1209","","","","","","1.052","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026972","10.477","0.002","15.019","0.0018","13.2317","0.0014","90","","90","","90","","2082.1","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3a,6,7a-Tetramethyltetrahydro-3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","1.5418","CuKα","","0.0654","0.0502","","","0.1249","0.1368","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026984","15.4444","0.0007","15.8126","0.0005","16.7857","0.0009","90","","90","","90","","4099.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.1272","0.0655","","","0.1244","0.1451","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026987","15.6955","0.0015","11.4214","0.001","24.763","0.002","90","","90","","90","","4439.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 O2 Si -","- C25 H28 O2 Si -","- C200 H224 O16 Si8 -","8","1","","Chengyu Wang; Yifeng Chen; Xin Xie; Jun Liu; Yuanhong Liu","Gold-Catalyzed Furan/Yne Cyclizations for the Regiodefined Assembly of Multisubstituted Protected 1-Naphthols","Journal of Organic Chemistry","2012","77","","1915","1921","10.1021/jo202541p","","","0.71073","MoKα","","0.0685","0.0533","","","0.1261","0.1354","","","","","","1.074","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027024","10.1204","0.0012","17.7","0.002","26.514","0.004","90","","90","","90","","4749.5","1.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C184 H280 N8 O64 -","8","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.1108","","","","0.3432","","","","","","1.112","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027074","9.7385","0.0004","11.6917","0.0006","41.5907","0.0019","90","","90","","90","","4735.5","0.4","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H39 N -","- C30 H39 N -","- C240 H312 N8 -","8","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","1.54178","CuKα","","0.063","0.053","","","0.132","0.138","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027255","9.929","0.004","18.23","0.006","21.043","0.007","90","","90","","90","","3809","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0465","0.0448","","","0.1002","0.1013","","","","","","1.172","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027275","21.383","0.004","9.84","0.002","7.4392","0.0015","90","","90","","90","","1565.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C56 H56 N24 O8 S8 -","8","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0717","0.0543","","","0.1566","0.1708","","","","","","1.078","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027286","11.4395","0.0016","10.344","0.0014","29.606","0.003","90","","90","","90","","3503.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C208 H152 N8 O16 -","8","1","","Heinz Langhals; Christian Dietl; Andreas Zimpel; Peter Mayer","Noncovalent Control of Absorption and Fluorescence Spectra","Journal of Organic Chemistry","2012","77","","5965","5970","10.1021/jo300540h","","","0.71073","MoKα","","0.1209","0.0605","","","0.1142","0.137","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027317","10.9425","0.0002","14.361","0.0004","26.7154","0.0007","90","","90","","90","","4198.2","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B O P -","- C26 H24 B O P -","- C208 H192 B8 O8 P8 -","8","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0782","0.0559","","","0.1388","0.1548","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027335","8.8631","0.0005","19.8424","0.0014","25.717","0.002","90","","90","","90","","4522.7","0.5","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-(1-pyrene)-1,3-diphenylfulvene","6-(1-pyrene)-1,3-diphenylfulvene","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0499","0.0375","","","0.0844","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027341","8.2998","0.0007","12.7159","0.0011","24.849","0.002","90","","90","","90","","2622.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 I N4 -","- C14 H11 I N4 -","- C112 H88 I8 N32 -","8","1","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0219","0.0177","","","0.041","0.0435","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027386","8.9009","0.0008","17.725","0.0017","28.318","0.003","90","","90","","90","","4467.7","0.8","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 O2 -","- C31 H22 O2 -","- C248 H176 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1487","0.0673","","","0.1623","0.198","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027440","11.27558","0.00011","17.01873","0.00018","20.3064","0.0002","90","","90","","90","","3896.72","0.07","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 F N O -","- C24 H26 F N O -","- C192 H208 F8 N8 O8 -","8","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","1.54184","CuKα","","0.0442","0.0372","","0.0967","0.0907","0.0967","","","","","","0.9959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027452","19.4403","0.0016","7.8778","0.0007","23.408","0.002","90","","90","","90","","3584.9","0.5","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C176 H144 F8 N8 O16 S8 -","8","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0869","0.0455","","","0.1165","0.1555","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027463","17.7159","0.0018","9.6703","0.0009","29.114","0.003","90","","90","","90","","4987.8","0.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Br Cl F N2 O -","- C28 H23 Br Cl F N2 O -","- C224 H184 Br8 Cl8 F8 N16 O8 -","8","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1201","0.0557","","","0.1372","0.1549","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027519","11.0264","0.0003","12.8797","0.0003","14.4734","0.0003","90","","90","","90","","2055.46","0.09","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Sabine Strobel; Thomas Schleid; Uwe Beifuss","Cu-Catalyzed Reaction of 1,2-Dihalobenzenes with 1,3-Cyclohexanediones for the Synthesis of 3,4-Dihydrodibenzo[b,d]furan-1(2H)-ones","Journal of Organic Chemistry","2012","77","","7793","7803","10.1021/jo3014275","","","0.71073","MoKα","","0.0803","0.0617","","","0.156","0.1716","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027544","15.0414","0.0006","8.2503","0.0003","33.904","0.0012","90","","90","","90","","4207.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H48 N4 S6 -","- C46 H48 N4 S6 -","- C184 H192 N16 S24 -","4","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0748","0.0652","","","0.1622","0.1701","","","","","","1.078","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027564","13.2473","0.0003","11.0985","0.0002","30.004","0.0007","90","","90","","90","","4411.34","0.16","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.1119","0.0538","","","0.1113","0.1354","","","","","","1.006","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027589","18.019","0.004","15.495","0.003","23.592","0.005","90","","90","","90","","6587","2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl N3 O10 -","- C32 H34 Cl N3 O10 -","- C256 H272 Cl8 N24 O80 -","8","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.1753","0.1529","","","0.3297","0.338","","","","","","1.111","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027610","10.22625","0.0001","5.79315","0.0001","16.6887","0.0003","90","","90","","90","","988.68","0.03","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TF-FT","2,2'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0315","0.0299","","","0.0793","0.0806","","","","","","1.128","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027631","9.0384","0.0003","7.883","0.0003","27.4231","0.0011","90","","90","","90","","1953.89","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br O2 -","- C10 H9 Br O2 -","- C80 H72 Br8 O16 -","8","1","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0987","0.0387","","","0.0802","0.0968","","","","","","1.015","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027673","16.439","0.002","8.9834","0.0007","18.551","0.002","90","","90","","90","","2739.6","0.5","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji","Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides","Journal of Organic Chemistry","2012","77","","9878","9883","10.1021/jo301791m","","","0.7107","MoKα","","","0.0403","","","","0.0554","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027678","7.4984","0.0001","9.8472","0.0001","25.9083","0.0003","90","","90","","90","","1913.02","0.04","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","ar99","1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.056","0.0418","","","0.115","0.1254","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027712","6.9741","0.0003","19.3326","0.0011","20.4313","0.001","90","","90","","90","","2754.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C128 H96 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0957","0.0484","","","0.1224","0.1533","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027714","17.3734","0.0007","8.1254","0.0004","23.7944","0.0016","90","","90","","90","","3359","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C168 H112 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0542","0.0333","","","0.0773","0.0838","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027739","13.207","0.003","8.4523","0.0018","18.886","0.004","90","","90","","90","","2108.2","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","1","","Yunhui Zheng; Xuming Li; Chengfeng Ren; Daisy Zhang-Negrerie; Yunfei Du; Kang Zhao","Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization","Journal of Organic Chemistry","2012","77","","10353","10361","10.1021/jo302073e","","","0.71073","MoKα","","0.0464","0.0378","","","0.0956","0.1012","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027740","11.4952","0.0012","6.768","0.0009","15.439","0.002","90","","90","","90","","1201.1","0.3","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","","Petar A. Duspara; Md. Sadequl Islam; Alan J. Lough; Robert A. Batey","Synthesis and Reactivity of N-Alkyl Carbamoylimidazoles: Development of N-Methyl Carbamoylimidazole as a Methyl Isocyanate Equivalent","Journal of Organic Chemistry","2012","77","","10362","10368","10.1021/jo302084a","","","0.71073","MoKα","","0.0644","0.0455","","","0.109","0.1182","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027835","8.9733","0.0018","19.948","0.004","34.123","0.007","90","","90","","90","","6108","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H44 O6 -","- C36 H44 O6 -","- C288 H352 O48 -","8","1","","Jihong Gao; Josephine Orso Simon; Russell Rodrigo; Abdeljalil Assoud","From Chiral ortho-Benzoquinone Monoketals to Nonracemic Indolinocodeines through Diels-Alder and Cope Reactions","Journal of Organic Chemistry","2013","78","","48","58","10.1021/jo3014098","","","0.71073","MoKα","","0.075","0.0607","","","0.1117","0.1158","","","","","","1.307","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027948","21.5279","0.001","14.0894","0.0005","21.8075","0.0009","90","","90","","90","","6614.5","0.5","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C256 H208 F48 N16 O48 S16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0901","0.0547","","0.0945","0.0632","0.0632","","","","","","1.1155","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028037","16.951","0.002","25.304","0.003","19.179","0.003","90","","90","","90","","8226.4","1.9","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hexakis(5-Bpinfuran-2-yl)benzene","Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene","","- C80 H100 B6 O18 -","- C80 H100 B6 O18 -","- C320 H400 B24 O72 -","4","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0754","0.071","","","0.1916","0.1961","","","","","","1.113","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028132","10.6882","0.0002","16.7476","0.0004","18.497","0.0013","90","","90","","90","","3311","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1284","0.0847","","","0.2094","0.2388","","","","","","1.843","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028155","23.8895","0.0015","9.8805","0.0006","30.8596","0.0019","90","","90","","90","","7284.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O -","- C25 H19 N O -","- C400 H304 N16 O16 -","16","2","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0366","0.0307","","","0.0771","0.0818","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028219","12.0523","0.0011","7.62","0.0007","19.0289","0.0019","90","","90","","90","","1747.6","0.3","296","2","296","2","","","","","","","total synthesis","4","P b c a","-P 2ac 2ab","61","Caulibugulone A","7-(methylamino)isoquinoline-5,8-dione","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0559","0.0456","","","0.1161","0.1242","","","","","","1.156","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028338","8.7085","0.0016","12.512","0.002","31.644","0.007","90","","90","","90","","3448","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","1","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.1396","0.1143","","","0.226","0.2346","","","","","","1.285","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028373","18.333","0.004","10.937","0.002","31.096","0.006","90","","90","","90","","6235","2","100","1","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C304 H320 O48 -","16","2","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0664","0.0451","","","0.1096","0.1256","","","","","","1.039","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028377","16.6507","0.0003","8.3279","0.0001","30.7761","0.0005","90","","90","","90","","4267.58","0.12","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C240 H232 -","4","0.5","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0561","0.0432","","","0.1069","0.1181","","","","","","1.106","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028490","14.6611","0.0005","15.1611","0.0006","20.8261","0.0008","90","","90","","90","","4629.2","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C208 H216 N8 O24 S8 -","8","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0692","0.0577","","","0.1304","0.1372","","","","","","1.181","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028497","13.4787","0.0002","13.3407","0.0002","14.214","0.001","90","","90","","90","","2555.89","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0519","0.0451","","","0.1209","0.1282","","","","","","1.093","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028509","17.14511","0.00005","15.82328","0.00006","19.53876","0.00007","90","","90","","90","","5300.71","0.03","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C256 H176 F48 O32 -","16","2","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0331","0.0317","","","0.0817","0.0831","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028540","16.928","0.006","9.845","0.003","31.117","0.011","90","","90","","90","","5186","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28.75 H32 N4 O5 -","- C28.5 H32 N4 O5 -","- C228 H256 N32 O40 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.1867","0.1285","","","0.3529","0.3882","","","","","","1.253","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028542","14.162","0.005","11.289","0.004","33.764","0.011","90","","90","","90","","5398","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C224 H320 N32 O48 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0778","0.0612","","","0.1626","0.1719","","","","","","0.976","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028551","6.7212","0.0005","16.922","0.002","25.652","0.003","90","","90","","90","","2917.6","0.5","100.3","0.4","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0629","0.0541","","","0.1582","0.1703","","","","","","1.082","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028570","20.207","0.0019","16.6727","0.0016","31.039","0.003","90","","90","","90","","10457.2","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H63 Cl2 N8 O16 -","- C47 H63 Cl2 N8 O16 -","- C376 H504 Cl16 N64 O128 -","8","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.0683","0.0477","","","0.1302","0.1482","","","","","","1.09","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028606","16.0473","0.0006","8.2489","0.0003","28.1693","0.0011","90","","90","","90","","3728.8","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N6 S2 -","- C18 H18 N6 S2 -","- C144 H144 N48 S16 -","8","1","","Andréanne Bolduc; Abelaziz Al Ouahabi; Charlotte Mallet; W. G. Skene","Insight into the Isoelectronic Character of Azomethines and Vinylenes Using Representative Models: A Spectroscopic and Electrochemical Study","Journal of Organic Chemistry","2013","78","","9258","9269","10.1021/jo401497z","","","1.54178","CuKα","","0.0651","0.0541","","","0.1413","0.1467","","","","","","1.009","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028651","16.3251","0.0004","6.732","0.0002","21.6139","0.0005","90","","90","","90","","2375.38","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","1","","Styliana I. Mirallai; Manolis J. Manos; Panayiotis A. Koutentis","One-Step Conversion of 2-Amino-N'-arylbenzamidines into 3-Aryl-4-imino-3,4-dihydroquinazoline-2-carbonitriles Using 4,5-Dichloro-1,2,3-dithiazolium Chloride","Journal of Organic Chemistry","2013","78","","9906","9913","10.1021/jo401648t","","","0.71073","MoKα","","0.0425","0.0363","","","0.1096","0.1119","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028695","14.0817","0.0014","9.5974","0.001","23.03","0.002","90","","90","","90","","3112.5","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0558","0.043","","","0.1363","0.1489","","","","","","1.137","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028734","14.8934","0.0008","11.7913","0.0006","19.2041","0.0018","90","","90","","90","","3372.5","0.4","301.19","0.1","301.19","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C144 H184 N16 O32 -","8","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","1.5418","CuKα","","0.0499","0.0379","","","0.0988","0.1085","","","","","","1.023","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028790","11.6208","0.0007","8.9292","0.0006","31.995","0.002","90","","90","","90","","3319.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0631","0.0502","","","0.1617","0.1728","","","","","","1.433","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028886","7.5666","0.0006","20.5185","0.0017","21.166","0.0018","90","","90","","90","","3286.1","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0611","0.0502","","","0.1308","0.1386","","","","","","1.051","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028908","14.316","0.011","7.443","0.006","31.78","0.03","90","","90","","90","","3386","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R,3R,E)-2-cyano-2,3,4-trimethylhex-4-enyl 4-nitrobenzoate","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.055","0.0436","","","0.1358","0.1517","","","","","","0.929","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028935","8.2939","0.0005","12.875","0.0006","27.3006","0.0014","90","","90","","90","","2915.3","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C144 H96 N16 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0508","0.0471","","","0.1126","0.1149","","","","","","1.122","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028944","11.4248","0.0008","15.8816","0.0011","21.3075","0.0016","90","","90","","90","","3866.1","0.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C176 H168 N24 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0982","0.0649","","","0.1319","0.1445","","","","","","1.104","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028945","7.0163","0.001","13.875","0.002","39.05","0.005","90","","90","","90","","3801.6","0.9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0558","0.0455","","","0.1123","0.119","","","","","","1.035","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028987","35.284","0.016","11.135","0.005","7.735","0.003","90","","90","","90","","3039","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C144 H104 F24 O16 -","8","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0843","","","","0.2637","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028991","6.0161","0.0004","14.424","0.002","21.643","0.003","90","","90","","90","","1878.1","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Eske, Angelika; Goldfuss, Bernd; Griesbeck, Axel G.; de Kiff, Alan; Kleczka, Margarethe; Leven, Matthias; Neudörfl, Jörg-M; Vollmer, Moritz","Ene-diene transmissive cycloaddition reactions with singlet oxygen: the vinylogous gem effect and its use for polyoxyfunctionalization of dienes.","The Journal of organic chemistry","2014","79","4","1818","1829","10.1021/jo5000434","","","0.71073","MoKα","","0.0915","0.0399","","","0.0691","0.0785","","","","","","1.008","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029031","8.5026","0.0004","18.063","0.0008","18.5086","0.0011","90","","90","","90","","2842.6","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl3 N O -","- C13 H12 Cl3 N O -","- C104 H96 Cl24 N8 O8 -","8","1","","Xie, Yuanzhen; Yu, Kai; Gu, Zhenhua","Stereoselective Synthesis of 1,3-Amino Alcohols by the Pd-Catalyzed Cyclization of Trichloroacetimidates.","The Journal of organic chemistry","2014","79","3","1289","","10.1021/jo402681z","","","0.71073","MoKα","","0.0509","0.0385","","","0.0881","0.0948","","","","","","1.017","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029075","13.4267","0.0002","17.8534","0.0003","20.7231","0.0003","90","","90","","90","","4967.58","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0552","0.0526","","","0.1587","0.1627","","","","","","1.029","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029097","19.8575","0.0009","7.0316","0.0003","27.9026","0.0013","90","","90","","90","","3896","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","072-1","","","- C24 H14 N4 O4 -","- C24 H14 N4 O4 -","- C192 H112 N32 O32 -","8","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.074","0.0475","","","0.1008","0.112","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029201","8.635","0.002","14.029","0.004","28.189","0.007","90","","90","","90","","3414.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0339","0.0308","","","0.0804","0.083","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029224","12.2122","0.0004","9.272","0.0002","19.8137","0.0008","90","","90","","90","","2243.54","0.13","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","0.5","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1065","0.0755","","0.1627","0.1504","0.1627","","","","","","1.0193","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029226","11.2581","0.0013","22.546","0.003","34.795","0.004","90","","90","","90","","8831.8","1.9","293","2","293","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl F N O2 S -","- C23 H21 Cl F N O2 S -","- C368 H336 Cl16 F16 N16 O32 S16 -","16","2","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0904","0.0603","","","0.1713","0.1989","","","","","","0.994","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029250","9.4499","0.0011","14.5191","0.0014","24.11","0.002","90","","90","","90","","3308","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of Naphthalene Amino Esters by the Blaise Reaction of o-Alkynylarenenitriles.","The Journal of organic chemistry","2014","79","7","3244","3248","10.1021/jo500137m","","","0.71073","MoKα","","0.108","0.0603","","","0.1372","0.162","","","","","","1.013","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4029390","21.8256","0.001","10.1693","0.0004","25.5637","0.0011","90","","90","","90","","5673.9","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H38 N2 O3 -","- C34 H38 N2 O3 -","- C272 H304 N16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1759","0.0767","","","0.1766","0.2146","","","","","","0.948","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029402","20.42","0.0008","10.0168","0.0004","23.6874","0.001","90","","90","","90","","4845.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F2 O3 -","- C30 H26 F2 O3 -","- C240 H208 F16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0548","0.037","","","0.0864","0.0973","","","","","","1.023","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029543","16.817","0.003","7.2309","0.0013","30.961","0.005","90","","90","","90","","3764.9","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C168 H168 N8 O40 -","8","1","","Thomson, Jennifer E.; Campbell, Craig D.; Concellón, Carmen; Duguet, Nicolas; Rix, Kathryn; Slawin, Alexandra M. Z.; Smith, Andrew D.","Probing the efficiency of N-heterocyclic carbene promoted O- to C-carboxyl transfer of oxazolyl carbonates.","The Journal of organic chemistry","2008","73","7","2784","2791","10.1021/jo702720a","","","1.54178","CuKα","","0.1078","0.0876","","","0.2081","0.2256","","","","","","1.111","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029593","14.9459","0.0004","19.7129","0.0005","36.9458","0.001","90","","90","","90","","10885.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H31 Cl2 F5 O9 -","- C79 H31 Cl2 F5 O9 -","- C632 H248 Cl16 F40 O72 -","8","1","","Liang, Sisi; Xu, Liang; Jia, Zhenshan; Gan, Liangbing","Pentafluorophenyl Transfer Reaction: Preparation of Pentafluorophenyl [60]Fullerene Adducts through Opening of Fullerene Epoxide Moiety with Trispentafluorophenylborane.","The Journal of organic chemistry","2014","79","12","5794","5798","10.1021/jo5009228","","","0.7107","MoKα","","0.0857","0.0615","","","0.1443","0.1589","","","","","","1.043","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029610","11.2819","0.0003","16.3676","0.0004","23.2672","0.0016","90","","90","","90","","4296.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rac-(R)-tert-butyl 2-((R)-2-acetyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0888","0.0661","","","0.167","0.1877","","","","","","1.133","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029655","14.027","0.006","14.923","0.005","22.626","0.01","90","","90","","90","","4736","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C216 H200 N24 O24 S8 -","8","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1842","0.0544","","","0.0697","0.0855","","","","","","0.953","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029673","17.9928","0.0015","7.7886","0.0007","20.839","0.0019","90","","90","","90","","2920.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","Roy, Rimi; Rakshit, Soumyadipta; Bhowmik, Tanmoy; Khan, Sagar; Ghatak, Avishek; Bhar, Sanjay","Substituted 3-E-Styryl-2H-chromenes and 3-E-Styryl-2H-thiochromenes: Synthesis, Photophysical Studies, Anticancer Activity, and Exploration to Tricyclic Benzopyran Skeleton.","The Journal of organic chemistry","2014","79","14","6603","6614","10.1021/jo5011125","","","0.71073","MoKα","","0.0915","0.0484","","","0.1071","0.1251","","","","","","1.016","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029727","15.0761","0.0019","10.72","0.0013","23.726","0.003","90","","90","","90","","3834.5","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C184 H184 N24 O32 -","8","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0718","0.0416","","","0.093","0.1026","","","","","","0.891","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029740","16.1371","0.0005","17.2078","0.0005","21.6306","0.0005","90","","90","","90","","6006.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H53 N4 Na Zn -","- C27 H53 N4 Na Zn -","- C216 H424 N32 Na8 Zn8 -","8","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0787","0.0371","","","0.0806","0.0853","","","","","","0.881","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029879","10.1979","0.0003","15.8821","0.0004","21.6227","0.0008","90","","90","","90","","3502.1","0.19","291","2","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Li, Pengfei; Cheng, Guolin; Zhang, Hong; Xu, Xianxiang; Gao, Jingyuan; Cui, Xiuling","Copper-Catalyzed One-Pot Synthesis of Unsymmetrical Arylurea Derivatives via Tandem Reaction of Diaryliodonium Salts with N-Arylcyanamide.","The Journal of organic chemistry","2014","79","17","8156","8162","10.1021/jo501334u","","","1.54184","CuKα","","0.0626","0.045","","","0.1145","0.1256","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029933","19.096","0.002","8.8874","0.001","24.908","0.003","90","","90","","90","","4227.2","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C176 H176 N48 O16 -","16","2","","Rajam, Sridhar; Jadhav, Abhijit V.; Li, Qian; Sarkar, Sujan K.; Singh, Pradeep N. D.; Rohr, Ahleah; Pace, Tamara C. S.; Li, Rui; Krause, Jeanette A.; Bohne, Cornelia; Ault, Bruce S.; Gudmundsdottir, Anna D.","Triplet sensitized photolysis of a vinyl azide: direct detection of a triplet vinyl azide and nitrene.","The Journal of organic chemistry","2014","79","19","9325","9334","10.1021/jo501898p","","","0.7749","synchrotron","","0.0503","0.0395","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029977","12.0741","0.0008","13.1671","0.0008","22.1093","0.0014","90","","90","","90","","3515","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trp030514","trp030514","","- C20 H24 N O3 -","- C20 H24 N O3 -","- C160 H192 N8 O24 -","8","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0571","0.0397","","","0.0965","0.1058","","","","","","1.012","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030062","7.576","0.0005","18.9865","0.0012","25.0328","0.0016","90","","90","","90","","3600.8","0.4","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0805","0.0571","","","0.1412","0.1551","","","","","","1.036","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030070","14.0334","0.0009","10.0587","0.0007","23.4532","0.0015","90","","90","","90","","3310.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C152 H152 N8 O16 S8 -","8","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0476","0.0365","","","0.0975","0.1043","","","","","","1.056","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030142","22.652","0.006","11.965","0.003","23.937","0.007","90","","90","","90","","6488","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H78 N28 O30 -","- C42 H54 N26 O24 -","- C168 H216 N104 O96 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0831","0.0582","","","0.1795","0.1968","","","","","","1.018","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030325","15.8984","0.0004","12.9658","0.0003","19.5357","0.0005","90","","90","","90","","4027","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 2-(2,3-diphenyl-1H-indol-1-yl)malonate","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.0766","0.0414","","","0.0883","0.1109","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030330","20.8235","0.0004","7.2405","0.0001","24.6478","0.0004","90","","90","","90","","3716.21","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","1","","Wang, Long; Ren, Zhi-Lin; Ding, Ming-Wu","Synthesis of 2,3-Dihydro-1H-2-benzazepin-1-ones and 3H-2-Benzoxepin-1-ones by Isocyanide-Based Multicomponent Reaction/Wittig Sequence Starting from Phosphonium Salt Precursors.","The Journal of organic chemistry","2014","80","1","641","","10.1021/jo502275f","","","1.54178","CuKα","","0.0359","0.0341","","","0.0897","0.0913","","","","","","1.119","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030341","18.837","0.002","11.148","0.002","10.952","0.001","90","","90","","90","","2299.9","0.5","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- F16 Ni Xe2 -","- F16 Ni Xe2 -","- F128 Ni8 Xe16 -","8","1","","Jesih, A.; Lutar, K.; Leban, I.; Zemva, B.","Vibrational spectra and crystal structure of (XeF5)2NiF6 and its decomposition in the laser beam followed by Raman spectroscopy","European Journal of Solid State and Inorganic Chemistry","1991","28","","829","840","","","x-ray","0.71069","MoKα","","","0.056","","","0.069","","","","","","","","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030372","8.4068","0.0005","11.7148","0.0006","24.5654","0.0014","90","","90","","90","","2419.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Shen, Mengmeng; Tu, Yawei; Xie, Guanqun; Niu, Qingsheng; Mao, Hui; Xie, Tingting; Flowers, 2nd, Robert A; Lv, Xin; Wang, Xiaoxia","Allylsamarium Bromide-Mediated Cascade Cyclization of Homoallylic Esters. Synthesis of 2-(2-Hydroxyalkyl)cyclopropanols and 2-(2-Hydroxyethyl)bicyclo[2.1.1]hexan-1-ols.","The Journal of organic chemistry","2014","80","1","52","","10.1021/jo501797w","","","0.71073","MoKα","","","0.0449","","","0.1327","0.1577","","","","","","0.815","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030374","11.9905","0.0002","8.82516","0.00014","34.0165","0.0006","90","","90","","90","","3599.56","0.1","291","2","291.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H16 O3 -","- C23 H16 O3 -","- C184 H128 O24 -","8","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Wu, Yusheng; Wu, Yangjie","Preparation of 3-Acyl-4-arylcoumarins via Metal-Free Tandem Oxidative Acylation/Cyclization between Alkynoates with Aldehydes.","The Journal of organic chemistry","2014","80","1","148","","10.1021/jo502220b","","","1.54184","CuKα","","0.0614","0.0524","","","0.1514","0.1597","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030444","11.988","0.006","15.862","0.002","16.538","0.002","90","","90","","90","","3144.8","1.7","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Cr4 F44 Xe5 -","- Cr4 F44 Xe5 -","- Cr16 F176 Xe20 -","4","0.5","","Lutar, K.; Leban, I.; Ogrin, T.; Zemva, B.","XeF2.CrF4 and (XeF5+CrF5-)4.XeF4: Syntheses, crystal structures and some properties","European Journal of Solid State and Inorganic Chemistry","1992","29","","713","727","","","x-ray","0.71069","MoKα","","","0.052","","","0.0587","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030445","14.488","0.001","12.504","0.002","22.131","0.002","90","","90","","90","","4009.2","0.8","","","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 N2 Se Si2 -","- C14 N2 Se Si2 -","- C112 N16 Se8 Si16 -","8","1","","Bjorgvinsson, M.; Roesky, H.W.; Pauer, F.; Stalke, D.; Sheldrick, G.M.","Preparation and structure characterization of the bis[tertbutyl(trimethylsilyl)amino]chalcogenides of selenium and tellurium","European Journal of Solid State and Inorganic Chemistry","1992","29","","759","776","","","x-ray","0.71069","MoKα","","","0.0267","","","0.0246","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030468","9.746","0.0004","21.034","0.0008","22.8338","0.0016","90","","90","","90","","4680.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl3 N O3 S -","- C22 H24 Cl3 N O3 S -","- C176 H192 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1232","0.0723","","","0.1351","0.1621","","","","","","1.058","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030509","10.424","0.005","16.907","0.007","15.601","0.002","90","","90","","90","","2749.5","1.8","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H52 Mg2 N8 -","- C20 H52 Mg2 N8 -","- C80 H208 Mg8 N32 -","4","0.5","","Bradley, D. C.; Frigo, D. M.; Harding, I. S.; Motevalli, M.","Ethylenediamine complexes of magnesium: the search for volatile compounds","European Journal of Solid State and Inorganic Chemistry","1993","30","","241","258","","","x-ray","0.71073","MoKα","","","0.0409","","","0.0434","","","","","","","","","","","has coordinates","189197","2020-10-21","18:00:00",""
"4030559","9.8175","0.0019","10.663","0.002","18.25","0.004","90","","90","","90","","1910.5","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","1","","Xu, Hao; Ma, Shuang; Xu, Yuanqing; Bian, Longxiang; Ding, Tao; Fang, Xiaomin; Zhang, Wenkai; Ren, Yanrong","Copper-catalyzed one-pot synthesis of 1,2,4-triazoles from nitriles and hydroxylamine.","The Journal of organic chemistry","2015","80","3","1789","1794","10.1021/jo502709t","","","0.71073","MoKα","","0.085","0.057","","","0.1517","0.1739","","","","","","1.063","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030571","30.7925","0.0009","16.2373","0.0006","34.0415","0.0016","90","","90","","90","","17020.3","1.1","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H69 N O6 S3 -","- C78 H69 N O6 S3 -","- C624 H552 N8 O48 S24 -","8","1","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.1249","0.0966","","","0.2928","0.3178","","","","","","1.177","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030627","15.7067","0.0019","16.039","0.002","17.011","0.002","90","","90","","90","","4285.4","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0788","0.0408","","","0.0812","0.0945","","","","","","1.001","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030628","16.2285","0.001","15.8298","0.0009","16.6687","0.0012","90","","90","","90","","4282.1","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1089","0.0466","","","0.0749","0.0894","","","","","","0.999","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030629","15.467","0.003","16.39","0.004","17.407","0.004","90","","90","","90","","4412.7","1.7","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0921","0.046","","","0.0847","0.1016","","","","","","1.041","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030630","16.2118","0.0008","16.0178","0.0007","16.699","0.0008","90","","90","","90","","4336.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0841","0.0425","","","0.0866","0.1007","","","","","","1.02","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030649","14.4847","0.0004","14.2985","0.0004","16.2284","0.0005","90","","90","","90","","3361.06","0.17","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C136 H168 N24 O40 -","8","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0974","0.0485","","","0.1073","0.1337","","","","","","1.018","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030686","10.163","0.002","21.989","0.005","17.279","0.003","90","","90","","90","","3861.4","1.3","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H22 F2 Ga3 N4 O13 P3 -","- C6 H19 F2 Ga3 N4 O13 P3 -","- C48 H152 F16 Ga24 N32 O104 P24 -","8","1","","Serpaggi, F.; Loiseau, T.; Riou, D.; Ferey, G.; Hosseini, M. W.","Oxyfluorinated microporous compounds: IX. Synthesis and crystal structure of ULM-8: a new layered fluorinated gallophosphate Ga3(PO4)2(HPO4)(H2O)F2,(N4C6H19)","European Journal of Solid State and Inorganic Chemistry","1994","31","","595","604","","","x-ray","0.71069","MoK1a","","","0.049","","","0.148","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030720","12.538","0.002","11.67","0.002","12.699","0.001","90","","90","","90","","1858.1","0.5","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca Fe3 H2 O13 P3 -","- Ca Fe3 H2 O13 P3 -","- Ca8 Fe24 H16 O104 P24 -","8","1","","Kwang-Hwa Lii; Chih-Yuan Huang","CaFe3(PO4)3(H2O): A mixed-valence iron phosphate containing zigzag chains of FeO6 octahedra","European Journal of Solid State and Inorganic Chemistry","1995","32","","225","235","","","x-ray","0.7093","MoKα","","","0.0287","","","0.0292","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030754","10.2831","0.0011","21.4073","0.0019","25.129","0.002","90","","90","","90","","5531.7","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C288 H192 N32 O32 -","16","2","","Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles.","The Journal of organic chemistry","2015","80","4","2384","2391","10.1021/acs.joc.5b00037","","","0.71075","MoKα","","","0.0856","","","","0.2145","","","","","","1.133","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030956","10.7185","0.001","16.4457","0.0017","21.179","0.002","90","","90","","90","","3733.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 Si -","- C19 H20 N2 O4 Si -","- C152 H160 N16 O32 Si8 -","8","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","0.7107","MoKα","","0.0575","0.0419","","","0.0899","0.0961","","","","","","1.032","","","","has coordinates","138282","2020-10-21","18:00:00",""
"4030993","17.9716","0.00018","10.96238","0.00011","19.195","0.0002","90","","90","","90","","3781.64","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 N2 O2 -","- C19 H20 Cl2 N2 O2 -","- C152 H160 Cl16 N16 O16 -","8","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0496","0.0452","","","0.1214","0.1269","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4031007","11.435","0.0005","13.7734","0.0004","27.2118","0.0017","90","","90","","90","","4285.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H12 Co2 O6 S -","- C23 H12 Co2 O6 S -","- C184 H96 Co16 O48 S8 -","8","1","","Danilkina, Natalia A.; Lyapunova, Anna G.; Khlebnikov, Alexander F.; Starova, Galina L.; Bräse, Stefan; Balova, Irina A.","Ring-Closing Metathesis of Co2(CO)6-Alkyne Complexes for the Synthesis of 11-Membered Dienediynes: Overcoming Thermodynamic Barriers.","The Journal of organic chemistry","2015","80","11","5546","5555","10.1021/acs.joc.5b00409","","","0.7107","MoKα","","0.071","0.0431","","","0.0728","0.082","","","","","","1.035","","","","has coordinates","154709","2020-10-21","18:00:00",""
"4031077","15.365","0.003","14.272","0.003","16.775","0.003","90","","90","","90","","3678.6","1.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P b c a","-P 2ac 2ab","61","","","","- C28 H14 -","- C28 H14 -","- C224 H112 -","8","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0602","","","0.1456","0.1499","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031084","10.1269","0.0005","9.6783","0.0004","26.0397","0.0012","90","","90","","90","","2552.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","","- C5 H6 N6 O12 -","- C5 H6 N6 O12 -","- C40 H48 N48 O96 -","8","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0388","0.0295","","","0.0703","0.0762","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031105","9.6196","0.0004","11.5783","0.0005","28.3556","0.0013","90","","90","","90","","3158.2","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.053","0.0418","","","0.0929","0.1009","","","","","","1.049","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031125","13.509","0.002","14.199","0.002","21.895","0.003","90","","90","","90","","4199.8","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N O Se -","- C25 H29 N O Se -","- C200 H232 N8 O8 Se8 -","8","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.0362","0.031","","","0.0823","0.0858","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031137","8.3947","0.0006","11.2061","0.0008","37.337","0.002","90","","90","","90","","3512.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 S -","- C17 H24 O4 S -","- C136 H192 O32 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0477","0.0386","","","0.105","0.1184","","","","","","1.09","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031138","13.3424","0.0004","13.8449","0.0004","19.8273","0.0006","90","","90","","90","","3662.58","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","1.54178","CuKα","","0.0309","0.0305","","","0.0794","0.0797","","","","","","1.063","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031162","12.881","0.003","9.3888","0.0019","20.978","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl4 N6 -","- C26 H18 Cl4 N6 -","- C104 H72 Cl16 N24 -","4","0.5","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.061","0.0527","","","0.1783","0.1909","","","","","","1.337","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031252","10.4557","","9.8265","","10.9323","","90","","90","","90","","1123.22","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Na Mn (O3 P C H (O H) C O2)","","- C2 H2 Mn Na O6 P -","- C2 H2 Mn Na O6 P -","- C16 H16 Mn8 Na8 O48 P8 -","8","1","","Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao","Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)","European Journal of Inorganic Chemistry","2007","2007","","5439","5446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031253","10.1998","","9.689","","10.7943","","90","","90","","90","","1066.76","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Na Co (O3 P C H (O H) C O2)","","- C2 H2 Co Na O6 P -","- C2 H2 Co Na O6 P -","- C16 H16 Co8 Na8 O48 P8 -","8","1","","Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao","Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)","European Journal of Inorganic Chemistry","2007","2007","","5439","5446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031254","10.1365","","9.6893","","10.7942","","90","","90","","90","","1060.16","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Na Zn (O3 P C H (O H) C O2)","","- C2 H2 Na O6 P Zn -","- C2 H2 Na O6 P Zn -","- C16 H16 Na8 O48 P8 Zn8 -","8","1","","Lai Zhuzhi; Hu Shengmin; Fu Ruibiao; Wu Xintao","Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)","European Journal of Inorganic Chemistry","2007","2007","","5439","5446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031274","12.452","","22.462","","22.991","","90","","90","","90","","6430.51","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Pt Cl2 (Te (C H2 Si (C H3)3)2)2","","- C16 H44 Cl2 Pt Si4 Te2 -","- C16 H44 Cl2 Pt Si4 Te2 -","- C128 H352 Cl16 Pt8 Si32 Te16 -","8","1","","Vigo, L.; Oilunkaniemi, R.; Laitinen, R.S.","Formation and characterization of platinum and palladium complexes of bis(trimethylsilylmethyl)tellane","European Journal of Inorganic Chemistry","2008","2008","","284","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031332","15.3163","0.0006","10.7987","0.0004","24.928","0.0012","90","","90","","90","","4123","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Fe O3 -","- C25 H26 Fe O3 -","- C200 H208 Fe8 O24 -","8","1","","He, Congfa; Wang, Jie; Gu, Zhenhua","BF3·OEt2-Promoted Synthesis of 2,3-Metallocenocyclohexanones: A 1,2-Hydride Shift and Cationic Cyclization Strategy.","The Journal of organic chemistry","2015","80","16","7865","7875","10.1021/acs.joc.5b01511","","","0.71073","MoKα","","0.0768","0.0435","","","0.1164","0.1449","","","","","","1.063","","","","has coordinates","154699","2020-10-21","18:00:00",""
"4031359","10.8224","0.0019","17.875","0.003","34.803","0.006","90","","90","","90","","6733","2","125","","125","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C144 H96 B24 F216 N48 S24 -","24","3","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.1339","","","","0.2412","","","","","","1.345","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031364","13.703","0.002","16.085","0.003","41.003","0.007","90","","90","","90","","9038","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl2 O3 P2 Ru -","- C45 H71 Cl2 O3 P2 Ru -","- C360 H568 Cl16 O24 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0992","0.073","","","0.198","0.2295","","","","","","1.27","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031365","13.067","0.002","15.91","0.002","37.178","0.006","90","","90","","90","","7729","2","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H52 Cl2 O6 P2 Ru -","- C33 H52 Cl2 O6 P2 Ru -","- C264 H416 Cl16 O48 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0642","0.0433","","","0.0891","0.0979","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031403","14.673","","19.765","","11.58","","90","","90","","90","","3358.34","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","(B10 H13)2","","- B20 H26 -","- B20 H26 -","- B160 H208 -","8","1","","Boocock, S.K.; Greenwood, N.N.; Kennedy, J.D.; McDonald, W.S.; Staves, J.","The chemistry of isomeric icosaboranes, B20 H26. Molecular structures and physical characterization of 2,2'-Bi(nido-decaboranyl) and 2,6'-Bi(nido-decaboranyl)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","790","796","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031411","22.34","","15.51","","13.67","","90","","90","","90","","4736.56","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Re (C O)5 F Re F5","","- C5 F6 O5 Re2 -","- C5 F6 O5 Re2 -","- C80 F96 O80 Re32 -","16","2","","Bruce, D.M.; Holloway, J.H.; Russell, D.R.","Crystal structure of abcde-Pentacarbonyl-f-mue-fluoro-ghijk-pentafluoro-rheni m(I)rhenium(V)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","64","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","154204","2020-10-21","18:00:00",""
"4031486","15.915","","14.641","","9.7","","90","","90","","90","","2260.21","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","S3 N2 N P3 N3 F5","","- F5 N6 P3 S3 -","- F5 N6 P3 S3 -","- F40 N48 P24 S24 -","8","1","","Rayment, I.; Shearer, H.M.M.; Roesky, H.W.","Crystal structure of 2,2,4,4,6-pentafluoro-6(N-(1,2,4,3,5-trithiadiazol-1-ylide e)amino) cyclotriphosphazene, S3 N2 N P3 N3 F5","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","883","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","155769","2020-10-21","18:00:00",""
"4031497","7.88","","14.46","","8.19","","90","","90","","90","","933.208","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S6 N4 Cl2","","- Cl2 N4 S6 -","- Cl2 N4 S6 -","- Cl8 N16 S24 -","4","0.5","","Small, R.W.H.; Banister, A.J.; Hauptman, Z.V.","Hexasulphur tetranitrogen dichloride, S6 N4 Cl2: Crystal growth and crystal structure","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","1377","1381","","","","","","","","","","","","","","","","","","","","","","has coordinates","155998","2020-10-21","18:00:00",""
"4031527","7.7272","0.0003","21.2361","0.0009","25.093","0.001","90","","90","","90","","4117.7","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C184 H272 O32 -","8","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0517","0.0396","","","0.1033","0.1122","","","","","","1.033","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031593","8.606","","15.686","","22.96","","90","","90","","90","","3099.46","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P8 O12 (B H3)2","","- B2 H6 O12 P8 -","- B2 H6 O12 P8 -","- B16 H48 O96 P64 -","8","1","","Tellenbach, A.; Jansen, M.","(P8 O12) * 2(B H3) - The borane adduct of a new molecular phosphorus oxide","European Journal of Inorganic Chemistry","2003","2003","","3759","3766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031633","18.938","","11.73","","18.971","","90","","90","","90","","4214.27","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs (Fe (N O3)4)","","- Cs Fe N4 O12 -","- Cs Fe N4 O12 -","- Cs16 Fe16 N64 O192 -","16","2","","Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.","Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","2002","47","","1845","1852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031740","14.9685","0.0003","18.6756","0.0003","20.5316","0.0003","90","","90","","90","","5739.52","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 O2 P2 S -","- C30 H30 F6 O2 P2 S -","- C240 H240 F48 O16 P16 S8 -","8","1","","Hampton, Carissa S.; Harmata, Michael","Mechanistic Aspects of the Phosphine-Catalyzed Isomerization of Allenic Sulfones to 2-Arylsulfonyl 1,3-Dienes.","The Journal of organic chemistry","2015","80","24","12151","12158","10.1021/acs.joc.5b02097","","","1.54178","CuKα","","0.0284","0.0269","","","0.0719","0.073","","","","","","1.04","","","","has coordinates","173587","2020-10-21","18:00:00",""
"4031760","13.236","0.003","19.919","0.004","34.94","0.007","90","","90","","90","","9212","3","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27.5 H22 Cl N O P S -","- C27.5 H21 Cl N O P S -","- C440 H336 Cl16 N16 O16 P16 S16 -","16","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0839","0.0639","","","0.1373","0.1474","","","","","","1.097","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031770","22.6937","0.0015","25.4639","0.0017","31.677","0.002","90","","90","","90","","18305","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C101 H57 B2 F40 N2 O4 -","- C89.7778 H50.6667 B1.77778 F35.5556 N1.77778 O3.55556 -","- C808 H456 B16 F320 N16 O32 -","9","1.125","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.05","0.039","","","0.1365","0.1475","","","","","","1.185","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031796","14.909","","9.843","","12.113","","90","","90","","90","","1777.57","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(S F2)2 N As F6","","- As F10 N S2 -","- As F10 N S2 -","- As8 F80 N8 S16 -","8","1","","Brooks, W.V.F.; Wong, C.-M.; Passmore, J.; MacLean, G.K.; White, P.S.","Reaction of S2 N As F6 with Halogens: Preparation and X-Ray Crystal Structure of (S F2)2 N As F6; Preparation of (S Br2)2 N As F6,and Vibrational Spectrum and Normal-Co-Ordinate Analysis of the (SX)2 N(+) (X=Cl or Br) Cations","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1983","1983","","1961","1983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031865","11.059","0.002","11.569","0.002","17.329","0.004","90","","90","","90","","2217.1","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0535","0.0465","","","0.1063","0.1148","","","","","","1.105","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031923","17.355","0.004","9.4432","0.0019","20.162","0.004","90","","90","","90","","3304.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C176 H120 Cl8 O8 -","8","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.11","0.0539","","","0.1337","0.1638","","","","","","0.978","","","","has coordinates","177260","2020-10-21","18:00:00",""
"4031982","17.413","0.009","17.673","0.008","19.974","0.01","90","","90","","90","","6147","5","100","2","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F3 N O3 P Pd S -","- C30 H35 F3 N O3 P Pd S -","- C240 H280 F24 N8 O24 P8 Pd8 S8 -","8","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0569","0.0393","","","0.0765","0.0929","","","","","","1.196","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031999","14.3541","0.0008","12.9841","0.0009","23.2417","0.0013","90","","90","","90","","4331.7","0.5","295.06","0.1","295.06","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 F2 N2 O2 -","- C23 H26 F2 N2 O2 -","- C184 H208 F16 N16 O16 -","8","1","","Wang, Chao; Chen, Qiao; Guo, Quanping; Liu, Hong; Xu, Zhaoqing; Liu, Yubing; Wang, Mengran; Wang, Rui","Silver-Catalyzed Difluoroamidation of Activated Alkenes for the Construction of Difluorinated 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2016","81","13","5782","5788","10.1021/acs.joc.6b01013","","x-ray","0.71073","MoKα","","0.2101","0.0951","","","0.2415","0.3318","","","","","","1.002","","","","has coordinates","184936","2020-10-21","18:00:00",""
"4032057","19.0544","0.0013","10.7505","0.0008","19.758","0.0014","90","","90","","90","","4047.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0863","0.0553","","","0.1335","0.1637","","","","","","1.05","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032060","17.5326","0.0019","20.845","0.002","22.514","0.002","90","","90","","90","","8228.1","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Br2 N7 O4 S2 -","- C38 H33 Br2 N7 O3 S -","- C304 H264 Br16 N56 O24 S8 -","8","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0941","0.0466","","","0.1086","0.129","","","","","","1.012","","","","has coordinates","187522","2020-10-21","18:00:00",""
"4032180","17.3073","0.0007","9.4291","0.0004","17.5336","0.0007","90","","90","","90","","2861.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0632","0.0385","","","0.0875","0.1009","","","","","","1.053","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032228","12.3783","0.0009","17.2914","0.0013","18.284","0.0014","90","","90","","90","","3913.5","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C184 H200 N8 O16 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0947","0.0445","","","0.1062","0.1311","","","","","","1.009","","","","has coordinates","193230","2020-10-21","18:00:00",""
"4032304","19.5111","0.0009","10.0621","0.0005","20.2837","0.001","90","","90","","90","","3982.1","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzyl-3-(difluoronitromethyl)-2-oxoindolin-3-yl benzoate","","- C23 H16 F2 N2 O5 -","- C23 H16 F2 N2 O5 -","- C184 H128 F16 N16 O40 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0841","0.0872","","","","","","1.016","","","","has coordinates","193286","2020-10-21","18:00:00",""
"4032326","6.3297","0.0013","19.665","0.004","22.568","0.005","90","","90","","90","","2809.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","","Chang, Lina; Guo, Tao; Wang, Ziyi; Wang, Shaozhong; Yao, Zhu-Jun","Azepinoindole Synthesis via a N-Bromosuccinimide-Induced Cycloisomerization of Enaminoester/Enaminone.","The Journal of organic chemistry","2017","82","3","1567","1574","10.1021/acs.joc.6b02760","","","0.71073","MoKα","","0.1858","0.0759","","","0.1076","0.1344","","","","","","1","","","","has coordinates","193308","2020-10-21","18:00:00",""
"4032363","11.8453","0.001","11.2052","0.001","21.084","0.0015","90","","90","","90","","2798.5","0.4","107.35","0.1","107.35","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H19 B Fe N O2 P -","- C13 H19 B Fe N O2 P -","- C104 H152 B8 Fe8 N8 O16 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0699","0.0559","","","0.1429","0.1488","","","","","","1.085","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032400","9.8445","0.0004","6.9522","0.0003","30.4659","0.0012","90","","90","","90","","2085.11","0.15","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0342","0.0331","","","0.0835","0.0844","","","","","","1.065","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032431","10.4204","0.0004","16.8718","0.0007","30.1306","0.0012","90","","90","","90","","5297.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","","Rao, V. U. Bhaskara; Kumar, Krishna; Das, Tamal; Vanka, Kumar; Singh, Ravi P.","DBU-mediated Diastereoselective Aldol-type Cyanomethylation of Isatins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00512","","","0.71073","MoKα","","0.0619","0.0527","","","0.1103","0.1149","","","","","","1.176","","","","has coordinates","195245","2020-10-21","18:00:00",""
"4032455","10.6995","0.0004","15.0959","0.0006","34.2987","0.0013","90","","90","","90","","5539.9","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Br2 O2 -","- C36 H28 Br2 O2 -","- C288 H224 Br16 O16 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0399","0.0327","","","0.0781","0.0813","","","","","","1.068","","","","has coordinates","196016","2020-10-21","18:00:00",""
"4032464","7.1367","0.0001","13.239","0.0001","22.5108","0.0002","90","","90","","90","","2126.88","0.04","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0338","0.0332","","0.0578","0.0576","0.0578","","","","","","1","","","","has coordinates","196025","2020-10-21","18:00:00",""
"4032476","12.812","0.002","7.0885","0.0012","23.719","0.004","90","","90","","90","","2154.1","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.1035","0.0849","","","0.1797","0.1874","","","","","","1.349","","","","has coordinates","197459","2020-10-21","18:00:00",""
"4032492","15.1173","0.0003","14.2656","0.0003","16.7613","0.0003","90","","90","","90","","3614.7","0.12","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N6 O5 -","- C18 H11 Cl N6 O5 -","- C144 H88 Cl8 N48 O40 -","8","1","","Iwai, Kento; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of Functionalized 3-Cyanoisoxazoles Using a Dianionic Reagent.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00811","","","1.54187","CuKα","","0.0363","0.0344","","","0.0863","0.0875","","","","","","1.082","","","","has coordinates","196593","2020-10-21","18:00:00",""
"4032522","16.3855","0.0002","7.3631","0.00009","18.7465","0.0003","90","","90","","90","","2261.73","0.05","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0369","0.0306","","","0.0647","0.0667","","","","","","1.183","","","","has coordinates","197321","2020-10-21","18:00:00",""
"4032549","21.3227","0.0007","31.9115","0.0012","32.7689","0.0013","90","","90","","90","","22297.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C148 H144 N34 O14 Zn2 -","- C148 H144 N34 O14 Zn2 -","- C592 H576 N136 O56 Zn8 -","4","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","1.54178","CuKα","","0.0733","0.0556","","","0.1649","0.1737","","","","","","1.093","","","","has coordinates","197340","2020-10-21","18:00:00",""
"4032722","20.989","0.0005","21.5927","0.0006","23.4837","0.0005","90","","90","","90","","10643","0.5","100.05","0.1","100.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H59 F12 N3 O14 P2 -","- C47 H53 F12 N3 O13 P2 -","- C376 H424 F96 N24 O104 P16 -","8","1","","Pederson, Adam M.-P.; Price, Jr, Terry L; Slebodnick, Carla; Schoonover, Daniel V.; Gibson, Harry W.","The Long and the Short of It: Regiospecific Syntheses of Isomers of Dicarbomethoxydibenzo-27-crown-9 and Binding Abilities of Their Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","16","8489","8496","10.1021/acs.joc.7b01242","","x-ray","0.71073","MoKα","","0.1744","0.1245","","","0.3188","0.3567","","","","","","1.212","","","","has coordinates,has disorder","200302","2020-10-21","18:00:00",""
"4032761","18.3256","0.0002","10.8929","0.0001","21.4142","0.0003","90","","90","","90","","4274.68","0.09","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 -","- C22 H26 N6 -","- C176 H208 N48 -","8","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.0596","0.047","","","0.1071","0.1139","","","","","","1.101","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032790","11.0134","0.0006","9.5835","0.0005","19.539","0.001","90","","90","","90","","2062.28","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0446","0.0346","","","0.0827","0.0891","","","","","","1.045","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032800","6.9695","0.0002","11.9143","0.0003","22.1069","0.0006","90","","90","","90","","1835.68","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C72 H40 N40 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0398","0.0323","","","0.0774","0.0817","","","","","","1.048","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032848","16.957","0.003","7.7224","0.0015","18.204","0.004","90","","90","","90","","2383.8","0.8","153.15","","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua","Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","19","10158","10166","10.1021/acs.joc.7b01617","","","0.71073","MoKα","","0.0966","0.0801","","","0.1663","0.1864","","","","","","1.209","","","","has coordinates","202677","2020-10-21","18:00:00",""
"4032885","21.2312","0.0006","7.2323","0.0002","22.3298","0.0007","90","","90","","90","","3428.75","0.17","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Stivanin, Mateus L.; Duarte, Marcelo; Sartori, Camila; Capreti, Naylil M. R.; Angolini, Celio F. F.; Jurberg, Igor D.","An Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights.","The Journal of organic chemistry","2017","82","19","10319","10330","10.1021/acs.joc.7b01789","","","1.54178","CuKα","","0.0558","0.0474","","","0.1315","0.139","","","","","","1.03","","","","has coordinates","202705","2020-10-21","18:00:00",""
"4033005","14.2174","0.0005","5.7053","0.0002","31.5369","0.0011","90","","90","","90","","2558.1","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","","Chen, Yu-Feng; Chen, Jing; Lin, Li-Jen; Chuang, Gary Jing","Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzene.","The Journal of organic chemistry","2017","82","21","11626","11630","10.1021/acs.joc.7b01887","","","0.71073","MoKα","","0.0383","0.0267","","","0.067","0.0952","","","","","","1.176","","","","has coordinates","202762","2020-10-21","18:00:00",""
"4033007","15.5352","0.0011","7.2602","0.0005","23.4507","0.0017","90","","90","","90","","2645","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 O -","- C14 H10 Br N3 O -","- C112 H80 Br8 N24 O8 -","8","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0855","0.0447","","","0.0953","0.1077","","","","","","1.045","","","","has coordinates","202750","2020-10-21","18:00:00",""
"4033015","14.0424","0.0008","17.427","0.0008","20.7378","0.0009","90","","90","","90","","5074.9","0.4","293","0.2","293","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C264 H200 O16 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.0975","0.057","","","0.1211","0.1499","","","","","","1.058","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033016","18.1366","0.001","13.9563","0.0006","19.6941","0.0009","90","","90","","90","","4985","0.4","288.78","0.1","288.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C264 H200 O24 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.1169","0.0634","","","0.1245","0.1585","","","","","","1.046","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033021","14.3407","0.0004","12.2598","0.0004","25.881","0.0008","90","","90","","90","","4550.2","0.2","103.4","","103.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C200 H248 N8 O40 -","8","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0438","0.0389","","","0.0957","0.0995","","","","","","1.038","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033024","14.49","0.003","11.438","0.003","20.816","0.004","90","","90","","90","","3450","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei","TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.","The Journal of organic chemistry","2017","82","23","12682","12690","10.1021/acs.joc.7b02491","","","0.71073","MoKα","","0.0686","0.0541","","","0.1291","0.1381","","","","","","1.062","","","","has coordinates","204862","2020-10-21","18:00:00",""
"4033042","10.2719","0.0003","10.6899","0.0003","16.9891","0.0005","90","","90","","90","","1865.5","0.09","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C48 H112 Cl8 N8 O32 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0329","0.0324","","","0.0793","0.0799","","","","","","1.103","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033109","10.9695","0.0003","14.7196","0.0003","15.6452","0.0004","90","","90","","90","","2526.18","0.11","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0425","0.0379","","","0.0964","0.1009","","","","","","1.069","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033119","13.9639","0.0018","9.1183","0.0011","16.431","0.002","90","","90","","90","","2092.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 B N O -","- C12 H12 B N O -","- C96 H96 B8 N8 O8 -","8","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","1.54178","CuKα","","0.0806","0.0655","","","0.1815","0.1941","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033135","5.3586","0.0011","17.181","0.003","24.086","0.005","90","","90","","90","","2217.5","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0897","0.0516","","","0.1166","0.138","","","","","","1.023","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033275","11.8026","0.0007","8.2761","0.0004","37.697","0.003","90","","90","","90","","3682.2","0.4","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O S2 -","- C21 N O S2 -","- C168 N8 O8 S16 -","8","1","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1116","0.1162","","","","","","1.09","","","","has coordinates","204217","2020-10-21","18:00:00",""
"4033286","9.9842","0.0003","12.356","0.0004","28.8578","0.0009","90","","90","","90","","3560.04","0.19","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","1.54178","CuKα","","0.0777","0.0697","","","0.1513","0.1572","","","","","","1.202","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033418","14.1899","0.001","15.0564","0.0008","18.4072","0.0012","90","","90","","90","","3932.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 -","- C22 H23 Cl N4 -","- C176 H184 Cl8 N32 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1462","0.1302","","","0.2921","0.3034","","","","","","1.819","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033419","16.3083","0.0005","9.767","0.0004","19.6225","0.0008","90","","90","","90","","3125.5","0.2","150","","150","","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.05","0.04","","","0.1016","0.1091","","","","","","1.049","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033472","14.2573","0.0013","19.037","0.002","25.037","0.002","90","","90","","90","","6795.4","1.1","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H30 F3 N O -","- C45 H30 F3 N O -","- C360 H240 F24 N8 O8 -","8","1","","Bettadapur, Kiran R.; Kapanaiah, Raja; Lanke, Veeranjaneyulu; Prabhu, Kandikere Ramaiah","Weak Directing Group Steered Formal Oxidative [2+2+2]-Cyclization for Selective Benzannulation of Indoles.","The Journal of organic chemistry","2018","83","4","1810","1818","10.1021/acs.joc.7b02719","","","0.71073","MoKα","","0.2579","0.0816","","","0.1798","0.2787","","","","","","0.927","","","","has coordinates","227546","2020-10-21","18:00:00",""
"4033505","13.411","0.0006","10.1144","0.0004","18.3473","0.001","90","","90","","90","","2488.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.1095","0.0752","","","0.1893","0.2093","","","","","","1.092","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033518","15.4536","0.0015","12.9941","0.0012","24.233","0.002","90","","90","","90","","4866.1","0.8","130","","130","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C224 H216 N8 O40 S8 -","8","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.0817","0.0486","","","0.103","0.1182","","","","","","1.009","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033589","14.1669","0.0014","6.075","0.0006","15.6269","0.0017","90","","90","","90","","1344.9","0.2","155","","155","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","0.5","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0656","0.048","","","0.115","0.1302","","","","","","1.043","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033591","11.796","0.002","7.326","0.0015","31.816","0.006","90","","90","","90","","2749.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C128 H88 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.7","synchrotron","","0.0623","0.0462","","","0.1282","0.136","","","","","","1.048","","","","has coordinates","223235","2020-10-21","18:00:00",""
"4033597","13.7408","0.0002","10.8233","0.0002","16.535","0.0002","90","","90","","90","","2459.1","0.07","123.01","0.1","123.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C112 H80 Br8 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0283","0.0261","","","0.0708","0.0726","","","","","","1.083","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033613","7.582","0.0001","12.2125","0.0001","29.8274","0.0003","90","","90","","90","","2761.87","0.05","223","","223","","","","101.3","","","","","4","P b c a","-P 2ac 2ab","61","4-methoxy-6-nitro-2-phenylchromane","4-methoxy-6-nitro-2-phenylchromane","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0499","0.0472","","","0.1237","0.1265","","","","","","1.111","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033620","14.25","0.0002","14.314","0.0002","28.2402","0.0004","90","","90","","90","","5760.28","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 I6 In2 O2 -","- C18 H14 I6 In2 O2 -","- C144 H112 I48 In16 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","1.54184","CuKα","","0.0525","0.0496","","","0.1314","0.1343","","","","","","1.067","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033638","8.6675","0.0002","13.7568","0.0003","21.7507","0.0005","90","","90","","90","","2593.49","0.1","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C104 H128 N32 O16 -","8","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0433","0.0368","","","0.0887","0.094","","","","","","1.0456","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033684","25.8161","0.001","8.5863","0.0003","32.5051","0.0012","90","","90","","90","","7205.2","0.5","100","","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,8-Diphenyl-deuteroporphyrin IX dimethyl ester","","- C44 H41.99 N4 O4 Pd0.01 -","- C44 H41.99 N4 O4 Pd0.01 -","- C352 H335.92 N32 O32 Pd0.08 -","8","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.0873","0.0555","","","0.1211","0.1362","","","","","","1.046","","","","has coordinates,has disorder","222260","2020-10-21","18:00:00",""
"4033772","17.744","0.005","6.791","0.002","24.079","0.008","90","","90","","90","","2901.5","1.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 Sn -","- C15 H20 O2 Sn -","- C120 H160 O16 Sn8 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0458","0.0287","","","0.0591","0.0651","","","","","","1.032","","","","has coordinates","222347","2020-10-21","18:00:00",""
"4033802","7.6784","0.001","20.557","0.003","24.693","0.004","90","","90","","90","","3897.7","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H34 O -","- C24 H34 O -","- C192 H272 O8 -","8","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0739","0.0548","","","0.1354","0.1448","","","","","","1.035","","","","has coordinates","222378","2020-10-21","18:00:00",""
"4033824","8.8079","0.0007","10.9869","0.001","31.112","0.003","90","","90","","90","","3010.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 N2 S2 -","- C10 H24 Cl2 N2 S2 -","- C80 H192 Cl16 N16 S16 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.04","0.0305","","","0.073","0.0778","","","","","","1.058","","","","has coordinates","222399","2020-10-21","18:00:00",""
"4033825","16.7399","0.0007","12.0024","0.0005","27.0312","0.0012","90","","90","","90","","5431.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O4 S4 -","- C24 H34 N2 O4 S4 -","- C192 H272 N16 O32 S32 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54178","CuKα","","0.0467","0.0431","","","0.1197","0.1227","","","","","","1.042","","","","has coordinates","222400","2020-10-21","18:00:00",""
"4033843","20.3439","0.0004","8.323","0.0002","22.9542","0.0005","90","","90","","90","","3886.66","0.15","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C192 H160 O48 -","8","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0434","0.0378","","","0.094","0.1","","","","","","1.075","","","","has coordinates","222419","2020-10-21","18:00:00",""
"4033881","25.7343","0.001","7.6126","0.0002","27.7175","0.0008","90","","90","","90","","5430","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl N3 O3 -","- C28 H20 Cl N3 O3 -","- C224 H160 Cl8 N24 O24 -","8","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0841","0.0648","","","0.1528","0.1637","","","","","","1.054","","","","has coordinates","222454","2020-10-21","18:00:00",""
"4033890","6.3705","0.0003","16.0873","0.0007","25.9006","0.0011","90","","90","","90","","2654.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Py-Ts-Me-I","","","- C11.99 H11.96 I1.01 N O2 S -","- C11.9853 H11.9559 I1.0147 N O2 S -","- C95.8824 H95.6472 I8.1176 N8 O16 S8 -","8","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0625","0.045","","","0.0805","0.085","","","","","","1.218","","","","has coordinates,has disorder","222465","2020-10-21","18:00:00",""
"4033904","7.42","0.0002","13.6927","0.0003","24.5834","0.0005","90","","90","","90","","2497.67","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0382","0.0373","","","0.0914","0.092","","","","","","1.095","","","","has coordinates","222480","2020-10-21","18:00:00",""
"4033955","10.5088","0.0012","10.1424","0.0012","27.846","0.003","90","","90","","90","","2968","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B N O3 -","- C15 H20 B N O3 -","- C120 H160 B8 N8 O24 -","8","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0557","0.0364","","","0.1039","0.123","","","","","","1.104","","","","has coordinates","222530","2020-10-21","18:00:00",""
"4033987","16.7603","0.0003","16.2554","0.0002","27.9643","0.0005","90","","90","","90","","7618.7","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C75 H14 O3 -","- C75 H14 O3 -","- C600 H112 O24 -","8","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.0878","0.0698","","","0.1671","0.189","","","","","","1.119","","","","has coordinates,has disorder","222555","2020-10-21","18:00:00",""
"4034018","11.1584","0.0017","15.1108","0.0017","33.728","0.004","90","","90","","90","","5687","1.3","150.01","0.1","150.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H27 N3 O S -","- C35 H27 N3 O S -","- C280 H216 N24 O8 S8 -","8","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1304","0.0692","","0.1516","0.1069","0.1516","","","","","","0.9804","","","","has coordinates,has disorder","222577","2020-10-21","18:00:00",""
"4034102","7.8786","0.0009","10.9544","0.0013","29.561","0.003","90","","90","","90","","2551.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","nagib01","nagib01","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C96 H96 F24 N8 O24 S8 -","8","1","","Nakafuku, Kohki M.; Twumasi, Raymond K.; Vanitcha, Avassaya; Wappes, Ethan A.; Namitharan, Kayambu; Bekkaye, Mathieu; Nagib, David A.","Development of an Imine Chaperone for Selective C-H Functionalization of Alcohols via Radical Relay.","The Journal of organic chemistry","2019","84","20","13065","13072","10.1021/acs.joc.9b02052","","","0.71073","MoKα","","0.0429","0.0393","","","0.0863","0.0878","","","","","","1.172","","","","has coordinates","222659","2020-10-21","18:00:00",""
"4034106","11.188","0.003","7.6803","0.0019","26.991","0.007","90","","90","","90","","2319.3","1","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0524","0.0511","","","0.1059","0.1065","","","","","","1.236","","","","has coordinates","222663","2020-10-21","18:00:00",""
"4034107","8.431","0.002","9.685","0.002","20.623","0.006","90","","90","","90","","1684","0.7","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0499","0.0487","","","0.1208","0.1218","","","","","","1.129","","","","has coordinates","222664","2020-10-21","18:00:00",""
"4034164","19.3947","0.0006","17.2114","0.0005","25.7129","0.0008","90","","90","","90","","8583.2","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H20 O2 -","- C81 H20 O2 -","- C648 H160 O16 -","8","1","","Yamada, Michio; Takizawa, Mayu; Nukatani, Yoko; Suzuki, Mitsuaki; Maeda, Yutaka","Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl Carboxylates.","The Journal of organic chemistry","2019","84","14","9025","9033","10.1021/acs.joc.9b00932","","","0.71073","MoKα","","0.101","0.0597","","","0.1391","0.177","","","","","","1.054","","","","has coordinates,has disorder","222714","2020-10-21","18:00:00",""
"4034256","11.0629","0.0016","16.601","0.003","19.901","0.003","90","","90","","90","","3654.9","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cl I N2 S -","- C19 H16 Cl I N2 S -","- C152 H128 Cl8 I8 N16 S8 -","8","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1366","0.0568","","","0.1018","0.1247","","","","","","1.02","","","","has coordinates","222799","2020-10-21","18:00:00",""
"4034304","7.6849","0.0006","26.3848","0.0012","37.699","0.002","90","","90","","90","","7644","0.8","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O S2 Si2 -","- C42 H50 O S2 Si2 -","- C336 H400 O8 S16 Si16 -","8","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1606","0.0909","","","0.1926","0.2299","","","","","","1.04","","","","has coordinates,has disorder","222848","2020-10-21","18:00:00",""
"4034320","10.822","0.002","10.616","0.003","24.636","0.006","90","","90","","90","","2830.3","1.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0562","0.0535","","","0.1273","0.1292","","","","","","1.129","","","","has coordinates","222859","2020-10-21","18:00:00",""
"4034349","16.7664","0.0005","7.0835","0.0002","23.4964","0.0008","90","","90","","90","","2790.55","0.15","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 I2 -","- C15 H12 I2 -","- C120 H96 I16 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0385","0.0295","","","0.0587","0.0619","","","","","","1.025","","","","has coordinates","222887","2020-10-21","18:00:00",""
"4034441","15.48","0.005","11.486","0.004","23.094","0.008","90","","90","","90","","4106","2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C200 H144 F24 N24 O8 -","8","1","","Li, Kun; Chen, Li; Fan, Yun-Xiang; Wei, Yao; Yan, Sheng-Jiao","Multicomponent Tether Catalysis Synthesis of Highly Functionalized 4-(Pyridin-2-ylmethyl)-2-aminopyrroles via Cascade Reaction Is Accompanied by Decarboxylation.","The Journal of organic chemistry","2019","84","18","11971","11982","10.1021/acs.joc.9b01814","","","0.71073","MoKα","","0.203","0.0657","","","0.1057","0.1532","","","","","","0.997","","","","has coordinates,has disorder","222959","2020-10-21","18:00:00",""
"4034462","16.9833","0.0006","6.3684","0.0003","19.2501","0.0005","90","","90","","90","","2082.02","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.0444","0.035","","","0.0918","0.0975","","","","","","1.048","","","","has coordinates","222980","2020-10-21","18:00:00",""
"4034488","14.4446","0.0002","16.2063","0.0002","21.8323","0.0003","90","","90","","90","","5110.8","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 O S -","- C34 H32 O S -","- C272 H256 O8 S8 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0688","0.0666","","","0.1624","0.1637","","","","","","1.058","","","","has coordinates,has disorder","222994","2020-10-21","18:00:00",""
"4034524","19.2816","0.0006","14.7591","0.0004","20.9864","0.0007","90","","90","","90","","5972.3","0.3","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Br4 I2 In N2 O3 -","- C23 H21 Br4 I2 In N2 O3 -","- C184 H168 Br32 I16 In8 N16 O24 -","8","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0456","","","","0.0332","","","","","","1.663","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034588","9.2235","0.0003","9.2912","0.0003","31.3829","0.001","90","","90","","90","","2689.43","0.15","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C112 H88 F48 N24 -","8","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0657","","","","0.1414","","","","","","1.048","","","","has coordinates","223074","2020-10-21","18:00:00",""
"4034591","15.2452","0.0003","17.0853","0.0003","19.0868","0.0003","90","","90","","90","","4971.52","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C272 H216 N8 O16 -","8","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0392","0.037","","","0.0919","0.0935","","","","","","1.031","","","","has coordinates","223077","2020-10-21","18:00:00",""
"4034596","21.6654","0.0004","9.6032","0.0002","29.9888","0.0007","90","","90","","90","","6239.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C272 H272 Cl16 N32 O16 -","16","2","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54178","CuKα","","0.0851","0.0754","","","0.1657","0.1694","","","","","","1.239","","","","has coordinates,has disorder","223081","2020-10-21","18:00:00",""
"4034627","20.7396","0.0004","8.9839","0.0002","21.9017","0.0005","90","","90","","90","","4080.78","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Yoshida, Yasushi; Hiroshige, Tomohiko; Omori, Kazuki; Mino, Takashi; Sakamoto, Masami","Chemo- and Regioselective Asymmetric Synthesis of Cyclic Enamides through the Catalytic Umpolung Organocascade Reaction of α-Imino Amides.","The Journal of organic chemistry","2019","84","11","7362","7371","10.1021/acs.joc.9b01036","","","1.54178","CuKα","","0.0419","0.0376","","","0.1037","0.1081","","","","","","1.05","","","","has coordinates","223104","2020-10-21","18:00:00",""
"4034699","7.1537","0.0001","19.3801","0.0003","20.9999","0.0004","90","","90","","90","","2911.41","0.08","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0694","0.0671","","","0.15","0.1511","","","","","","1.363","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034728","11.472","0.0005","17.9909","0.0009","24.4226","0.0012","90","","90","","90","","5040.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C232 H256 O48 -","8","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.1097","0.0637","","","0.1802","0.2284","","","","","","0.966","","","","has coordinates","226251","2020-10-21","18:00:00",""
"4034743","11.8445","0.001","17.0045","0.0014","19.8152","0.0016","90","","90","","90","","3991","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C184 H160 N16 O24 S8 -","8","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0508","0.0379","","","0.0982","0.1115","","","","","","1.054","","","","has coordinates","226266","2020-10-21","18:00:00",""
"4034770","6.623","0.003","18.287","0.009","33.616","0.015","90","","90","","90","","4071","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N7 O6 S -","- C18 H21 N7 O6 S -","- C144 H168 N56 O48 S8 -","8","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.398","0.0773","","","0.1124","0.1844","","","","","","0.852","","","","has coordinates","226293","2020-10-21","18:00:00",""
"4034777","10.8054","0.0008","7.8126","0.0006","28.528","0.003","90","","90","","90","","2408.3","0.4","298.84","0.1","298.84","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C88 H96 F24 N8 O16 S8 -","8","1","","Wang, Xue-Juan; Su, Yan; Li, Rui; Gu, Peiming","Tf<sub>2</sub>O-Promoted Intramolecular Schmidt Reaction of the ω-Azido Carboxylic Acids.","The Journal of organic chemistry","2018","83","10","5816","5824","10.1021/acs.joc.8b00475","","x-ray","0.71073","MoKα","","0.0626","0.0447","","","0.1321","0.1499","","","","","","0.966","","","","has coordinates","226300","2020-10-21","18:00:00",""
"4034791","9.6013","0.0004","15.5775","0.0006","20.8542","0.0008","90","","90","","90","","3119","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C120 H136 N8 O24 S8 -","8","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.068","0.0497","","","0.13","0.1478","","","","","","1.023","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034807","13.9856","0.0005","12.0156","0.0005","15.6049","0.0006","90","","90","","90","","2622.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,5-Triethyl-3,4-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole 1-oxide","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C96 H184 N8 O24 -","8","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.0643","0.0517","","","0.1318","0.1419","","","","","","1.058","","","","has coordinates","226327","2020-10-21","18:00:00",""
"4034811","11.9655","0.0003","15.3718","0.0004","16.7007","0.0004","90","","90","","90","","3071.78","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I2 -","- C19 H18 I2 -","- C152 H144 I16 -","8","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0319","0.0253","","","0.0672","0.0711","","","","","","1.04","","","","has coordinates","226331","2020-10-21","18:00:00",""
"4034839","18.9528","0.0012","8.6413","0.0004","20.2208","0.0012","90","","90","","90","","3311.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C176 H136 F8 O16 -","8","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0874","0.048","","","0.0998","0.119","","","","","","1.067","","","","has coordinates","226359","2020-10-21","18:00:00",""
"4034856","11.2787","0.0002","10.57881","0.00017","31.2091","0.0005","90","","90","","90","","3723.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0547","0.0408","","","0.1096","0.122","","","","","","1.009","","","","has coordinates","226376","2020-10-21","18:00:00",""
"4034870","16.0549","0.0014","6.3429","0.0006","27.394","0.003","90","","90","","90","","2789.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0793","0.0463","","","0.1299","0.1488","","","","","","1.022","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034877","13.866","0.002","9.4032","0.0015","22.169","0.004","90","","90","","90","","2890.5","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","1","","Gao, Yuzhen; Zhang, Pengbo; Li, Gang; Zhao, Yufen","Cascade Annulation of 2-Alkynylthioanisoles with Unsaturated α-Bromocarbonyls Leading to Thio-Benzobicyclic Skeletons.","The Journal of organic chemistry","2018","83","22","13726","13733","10.1021/acs.joc.8b02001","","","0.71073","MoKα","","0.0667","0.0609","","","0.1888","0.1982","","","","","","0.764","","","","has coordinates","226397","2020-10-21","18:00:00",""
"4034893","9.1643","0.0002","15.052","0.0003","21.5352","0.0005","90","","90","","90","","2970.59","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Ryu, Heesun; Seo, Jeongseob; Ko, Haye Min","Synthesis of Spiro[oxindole-3,2'-pyrrolidine] Derivatives from Benzynes and Azomethine Ylides through 1,3-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","22","14102","14109","10.1021/acs.joc.8b02117","","","0.71073","MoKα","","0.0582","0.0444","","","0.1056","0.1138","","","","","","1.034","","","","has coordinates","226408","2020-10-21","18:00:00",""
"4034894","7.9342","0.0017","16.527","0.004","21.431","0.005","90","","90","","90","","2810.2","1.1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C160 H96 O16 S8 -","8","1","","Shi, Juan; Kang, Yang; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of Polycyclic Heteroaromatic Coumarins via Photoinduced Dehydrogenative Annulation of 4-Phenyl-3-heteroarylcoumarins.","The Journal of organic chemistry","2018","83","22","13940","13948","10.1021/acs.joc.8b02290","","","1.54178","CuKα","","0.0551","0.0444","","","0.1175","0.1201","","","","","","1.109","","","","has coordinates","226409","2020-10-21","18:00:00",""
"4034904","13.4763","0.0008","18.3817","0.001","25.4001","0.0013","90","","90","","90","","6292","0.6","173","2","173.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 N O3 P -","- C37 H32 Cl2 N O3 P -","- C296 H256 Cl16 N8 O24 P8 -","8","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.1197","0.0785","","","0.1926","0.2189","","","","","","1.043","","","","has coordinates,has disorder","226420","2020-10-21","18:00:00",""
"4034923","10.6757","0.0019","9.8486","0.0017","27.386","0.005","90","","90","","90","","2879.4","0.9","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0663","0.0416","","","0.0942","0.1061","","","","","","1.056","","","","has coordinates","226438","2020-10-21","18:00:00",""
"4034930","5.7958","0.00006","14.35143","0.00015","43.7743","0.0005","90","","90","","90","","3641.06","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N O5 -","- C18 H29 N O5 -","- C144 H232 N8 O40 -","8","1","","Matías, Desirée M; Johnson, Jeffrey S.","Synthesis and Desymmetrization of meso Tricyclic Systems Derived from Benzene Oxide.","The Journal of organic chemistry","2018","83","8","4859","4866","10.1021/acs.joc.8b00523","","","1.54178","CuKα","","0.0638","0.0491","","","0.1242","0.1336","","","","","","1.057","","","","has coordinates","226445","2020-10-21","18:00:00",""
"4034942","11.2915","0.0005","7.6426","0.0002","37.0847","0.0016","90","","90","","90","","3200.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.2057","0.1116","","","0.1908","0.2266","","","","","","1.114","","","","has coordinates","226452","2020-10-21","18:00:00",""
"4034968","10.1854","0.0001","7.0105","0.0001","31.6018","0.0003","90","","90","","90","","2256.52","0.04","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-chloro-5-methoxy-1-methyl-4-phenyl-1,5-dihydro-2H-pyrrol-2-one","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0698","0.0395","","","0.0964","0.1095","","","","","","1.036","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034987","7.2443","0.0004","21.6508","0.0013","31.7616","0.0019","90","","90","","90","","4981.6","0.5","296","","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","DiMeMonoPhIndenotetracene","2-methyl-10-phenyl-9-(p-tolyl)indeno[1,2,3-fg]tetracene","","- C38 H26 -","- C37.791 H27.261 -","- C302.328 H218.088 -","8","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","0.71073","MoKα","","0.0919","0.0516","","","0.1385","0.1734","","","","","","1.055","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034993","10.6419","0.0005","9.2073","0.0004","22.7567","0.0012","90","","90","","90","","2229.77","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0562","0.0404","","","0.0931","0.1008","","","","","","1.034","","","","has coordinates","226496","2020-10-21","18:00:00",""
"4035057","16.8993","0.0002","13.773","0.0001","17.8139","0.0002","90","","90","","90","","4146.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0453","0.0388","","","0.095","0.0995","","","","","","1.054","","","","has coordinates","226555","2020-10-21","18:00:00",""
"4035060","7.9586","0.0002","15.7174","0.0006","30.9471","0.001","90","","90","","90","","3871.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N3 O5 S -","- C22 H18 F N3 O5 S -","- C176 H144 F8 N24 O40 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1035","0.106","","","","","","1.056","","","","has coordinates","226558","2020-10-21","18:00:00",""
"4035128","14.3105","0.0006","18.8797","0.0008","24.8734","0.0011","90","","90","","90","","6720.2","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C43 H42 O -","- C43 H42 O -","- C344 H336 O8 -","8","1","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Hazra, Raju; Anand, Ramasamy Vijaya","1,6-Hydroolefination and Cascade Cyclization of p-Quinone Methides with Styrenes: Total Synthesis of (±)-Isopaucifloral F.","The Journal of organic chemistry","2018","83","17","10107","10119","10.1021/acs.joc.8b01401","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1128","0.1299","","","","","","1.065","","","","has coordinates","226613","2020-10-21","18:00:00",""
"4035147","17.855","0.003","7.9583","0.0015","18.76","0.003","90","","90","","90","","2665.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","CML-II-141 from acetone","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0442","0.0358","","","0.088","0.0934","","","","","","1.032","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035185","8.17797","0.00015","14.6247","0.0003","27.2033","0.0005","90","","90","","90","","3253.52","0.11","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C136 H112 N48 O16 -","8","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0432","0.0367","","","0.0866","0.0897","","","","","","1.034","","","","has coordinates","226662","2020-10-21","18:00:00",""
"4035209","9.9204","0.0007","11.0141","0.0008","25.763","0.002","90","","90","","90","","2815","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0482","0.0366","","","0.0895","0.0947","","","","","","1.045","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035220","10.877","0.003","20.729","0.006","21.133","0.006","90","","90","","90","","4765","2","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N3 O2 -","- C28 H27 N3 O2 -","- C224 H216 N24 O16 -","8","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.1409","0.0751","","","0.1544","0.187","","","","","","1.042","","","","has coordinates","226695","2020-10-21","18:00:00",""
"4035222","14.0177","0.0005","7.74","0.0003","20.7641","0.0007","90","","90","","90","","2252.84","0.14","100","0.2","100","0.2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0597","0.0493","","","0.1209","0.1281","","","","","","1.053","","","","has coordinates","226697","2020-10-21","18:00:00",""
"4035245","10.9387","0.0005","13.5166","0.0007","21.8934","0.0015","90","","90","","90","","3237","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H16 B F2 N3 O2 S -","- C17 H16 B F2 N3 O2 S -","- C136 H128 B8 F16 N24 O16 S8 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0876","0.0617","","","0.1539","0.1666","","","","","","1.05","","","","has coordinates","226711","2020-10-21","18:00:00",""
"4035298","9.2316","0.0003","24.672","0.0008","32.5936","0.001","90","","90","","90","","7423.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H16 B2 F18 O S2 -","- C38 H16 B2 F18 O S2 -","- C304 H128 B16 F144 O8 S16 -","8","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0642","0.0526","","","0.1409","0.1534","","","","","","1.028","","","","has coordinates,has disorder","226762","2020-10-21","18:00:00",""
"4035318","12.7547","0.0017","11.3387","0.0015","16.8","0.002","90","","90","","90","","2429.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","0.71073","","","0.08","0.045","","","0.1001","0.1121","","","","","","0.968","","","","has coordinates","226782","2020-10-21","18:00:00",""
"4035333","15.4804","0.0004","7.6884","0.0002","20.7339","0.0006","90","","90","","90","","2467.74","0.12","100.3","0.4","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 F3 N3 O -","- C14 H8 F3 N3 O -","- C112 H64 F24 N24 O8 -","8","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0396","0.0366","","","0.1002","0.1035","","","","","","1.106","","","","has coordinates","226797","2020-10-21","18:00:00",""
"4035336","8.1651","0.0004","8.2944","0.0004","22.5849","0.001","90","","90","","90","","1529.55","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F2 O2 -","- C7 H12 F2 O2 -","- C56 H96 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0464","0.0371","","","0.0859","0.0927","","","","","","1.06","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035362","19.6401","0.0006","10.0875","0.0002","21.1461","0.0007","90","","90","","90","","4189.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C232 H168 N8 O16 -","8","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0541","0.0424","","","0.0998","0.1071","","","","","","1.027","","","","has coordinates","226819","2020-10-21","18:00:00",""
"4035376","11.8228","0.0002","12.38285","0.00019","20.3843","0.0004","90","","90","","90","","2984.26","0.09","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 Cl N O3 S -","- C17 H12 Cl N O3 S -","- C136 H96 Cl8 N8 O24 S8 -","8","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0347","0.0302","","","0.0754","0.0784","","","","","","1.039","","","","has coordinates","226833","2020-10-21","18:00:00",""
"4035383","20.0068","0.001","19.8255","0.001","10.7525","0.0005","90","","90","","90","","4264.9","0.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C208 H184 N8 O24 S8 -","8","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0799","0.0664","","","0.194","0.2056","","","","","","1.086","","","","has coordinates","226840","2020-10-21","18:00:00",""
"4035391","26.198","0.0011","15.139","0.0005","31.8305","0.0011","90","","90","","90","","12624.3","0.8","179.3","","179.3","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H128 Cl12 N18 -","- C136 H128 Cl12 N18 -","- C544 H512 Cl48 N72 -","4","0.5","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1354","0.0956","","","0.2588","0.3128","","","","","","1.028","","","","has coordinates,has disorder","226848","2020-10-21","18:00:00",""
"4035392","7.7838","0.0002","16.9514","0.0005","21.2298","0.0007","90","","90","","90","","2801.19","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Cruz, Daniel A.; Sinka, Victoria; Martín, Víctor S; Padrón, Juan I","Iron-Catalyzed Prins-Peterson Reaction for the Direct Synthesis of Δ<sup>4</sup>-2,7-Disubstituted Oxepenes.","The Journal of organic chemistry","2018","83","20","12632","12647","10.1021/acs.joc.8b01978","","","1.54184","CuKα","","0.0444","0.0391","","","0.1066","0.1131","","","","","","1.055","","","","has coordinates","226849","2020-10-21","18:00:00",""
"4035398","8.7861","0.0003","19.9084","0.0006","21.7332","0.0007","90","","90","","90","","3801.5","0.2","293","0.2","293","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C192 H144 O32 -","8","1","","Liu, Yan-Qing; Li, Qing-Zhu; Zhu, Hong-Ping; Feng, Xin; Peng, Cheng; Huang, Wei; Li, Jun-Long; Han, Bo","Direct Sulfide-Catalyzed Diastereoselective [4+1] Annulations of ortho-Quinone Methides and Bromides.","The Journal of organic chemistry","2018","83","20","12753","12762","10.1021/acs.joc.8b02189","","x-ray","1.54184","CuKα","","0.07","0.0629","","","0.1586","0.1711","","","","","","1.032","","","","has coordinates","226855","2020-10-21","18:00:00",""
"4035410","11.6882","0.0003","10.5838","0.0003","30.9945","0.0011","90","","90","","90","","3834.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0485","0.0433","","","0.1052","0.1099","","","","","","1.045","","","","has coordinates","226868","2020-10-21","18:00:00",""
"4035460","15.2591","0.0003","6.82403","0.00012","37.8298","0.0007","90","","90","","90","","3939.16","0.13","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Si -","- C26 H22 Si -","- C208 H176 Si8 -","8","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Takano, Hideaki; Sato, Tatsuki; Kanyiva, Kyalo Stephen","Ir-Catalyzed Synthesis of Substituted Tribenzosilepins by Dehydrogenative C-H/Si-H Coupling.","The Journal of organic chemistry","2018","83","7","3426","3432","10.1021/acs.joc.8b00233","","","1.54187","CuKα","","0.0395","0.0372","","","0.1017","0.1035","","","","","","1.04","","","","has coordinates","226915","2020-10-21","18:00:00",""
"4035508","15.832","0.004","17.439","0.005","19.676","0.006","90","","90","","90","","5432","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Barak, Dinesh S.; Dighe, Shashikant U.; Avasthi, Ilesha; Batra, Sanjay","Iodine-Catalyzed Diazenylation with Arylhydrazine Hydrochlorides in Air.","The Journal of organic chemistry","2018","83","7","3537","3546","10.1021/acs.joc.7b03149","","","0.71073","MoKα","","0.0509","0.041","","","0.103","0.1096","","","","","","1.023","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035547","17.9614","0.001","8.0269","0.0005","19.3808","0.001","90","","90","","90","","2794.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C136 H88 F24 O16 -","8","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0891","0.0637","","","0.1626","0.1783","","","","","","1.038","","","","has coordinates","226995","2020-10-21","18:00:00",""
"4035571","9.15169","0.00016","16.2452","0.0002","24.955","0.0003","90","","90","","90","","3710.09","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0449","0.04","","","0.1053","0.1111","","","","","","1.076","","","","has coordinates","227019","2020-10-21","18:00:00",""
"4035581","16.2482","0.0003","8.3987","0.0002","25.8","0.0006","90","","90","","90","","3520.76","0.13","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O2 S -","- C18 H20 Br N O2 S -","- C144 H160 Br8 N8 O16 S8 -","8","1","","Maiti, Saikat; Bose, Anima; Mal, Prasenjit","Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation.","The Journal of organic chemistry","2018","83","15","8127","8138","10.1021/acs.joc.8b00921","","","0.71073","MoKα","","0.0665","0.0356","","","0.0826","0.0961","","","","","","1.011","","","","has coordinates","227029","2020-10-21","18:00:00",""
"4035650","11.1361","0.0007","7.7797","0.0004","30.9551","0.0019","90","","90","","90","","2681.8","0.3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H18 -","- C19 H18 -","- C152 H144 -","8","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0522","0.0411","","","0.0947","0.1114","","","","","","1.077","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035656","14.8638","0.0003","15.2757","0.0003","38.7031","0.0007","90","","90","","90","","8787.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H66 N2 O7 S Si2 -","- C41 H66 N2 O7 S Si2 -","- C328 H528 N16 O56 S8 Si16 -","8","1","","Huang, Wen-Yu; Nishikawa, Toshio; Nakazaki, Atsuo","Toward a Synthesis of Fawcettimine-Type Lycopodium Alkaloids: Stereocontrolled Synthesis of a Functionalized Azaspirocycle Precursor.","The Journal of organic chemistry","2018","83","18","11108","11117","10.1021/acs.joc.8b01719","","","1.54187","CuKα","","0.0803","0.0638","","","0.17","0.1806","","","","","","1.055","","","","has coordinates,has disorder","227104","2020-10-21","18:00:00",""
"4035705","9.1003","0.0001","18.7035","0.0002","20.7543","0.0002","90","","90","","90","","3532.54","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Sun, Kai; Chen, Xiao-Lan; Li, Shi-Jun; Wei, Dong-Hui; Liu, Xiao-Ceng; Zhang, Yin-Li; Liu, Yan; Fan, Lu-Lu; Qu, Ling-Bo; Yu, Bing; Li, Kai; Sun, Yuan-Qiang; Zhao, Yu-Fen","Copper-Catalyzed Radical Cascade Cyclization To Access 3-Sulfonated Indenones with the AIE Phenomenon.","The Journal of organic chemistry","2018","83","23","14419","14430","10.1021/acs.joc.8b02175","","x-ray","1.54184","CuKα","","0.0353","0.0329","","","0.0888","0.0904","","","","","","1.068","","","","has coordinates","227154","2020-10-21","18:00:00",""
"4035706","18.775","0.007","10.002","0.004","31.332","0.012","90","","90","","90","","5884","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","2","","Zeng, Linwei; Lai, Zhencheng; Cui, Sunliang","One-Pot Reaction of Carboxylic Acids and Ynol Ethers for The Synthesis of β-Keto Esters.","The Journal of organic chemistry","2018","83","23","14834","14841","10.1021/acs.joc.8b02715","","","0.71073","MoKα","","0.3378","0.0896","","","0.2041","0.3219","","","","","","0.933","","","","has coordinates","227155","2020-10-21","18:00:00",""
"4035779","13.6366","0.0008","24.0463","0.0011","36.97","0.002","90","","90","","90","","12122.8","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C656 H512 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1129","0.059","","","0.1202","0.1335","","","","","","1.022","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035844","12.0094","0.0017","9.0315","0.0011","59.748","0.006","90","","90","","90","","6480.4","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C288 H304 N16 O64 -","16","2","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.2183","0.09","","","0.2084","0.2593","","","","","","1.014","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035846","10.874","0.002","8.3249","0.0015","19.94","0.004","90","","90","","90","","1805.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N -","- C11 H13 N -","- C88 H104 N8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1278","0.0468","","","0.0828","0.098","","","","","","0.888","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035878","23.9941","0.00019","11.7595","0.00008","24.6196","0.00016","90","","90","","90","","6946.63","0.09","173.2","0.3","173.2","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 N11 O7 S -","- C34 H25 N11 O7 S -","- C272 H200 N88 O56 S8 -","8","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","x-ray","1.54184","CuKα","","0.0638","0.0445","","","0.1125","0.1246","","","","","","1.022","","","","has coordinates","227286","2020-10-21","18:00:00",""
"4035900","14.0029","0.0003","13.7401","0.0003","14.1052","0.0003","90","","90","","90","","2713.86","0.1","98","","98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","RM4010","","- C14 H16 Ag Cl N2 -","- C14 H16 Ag Cl N2 -","- C112 H128 Ag8 Cl8 N16 -","8","1","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","x-ray","0.71075","MoKα","","0.0439","0.0413","","","0.1067","0.1078","","","","","","1.276","","","","has coordinates","275143","2022-05-06","20:26:43",""
"4035906","22.412","0.004","21.631","0.004","30.193","0.005","90","","90","","90","","14637","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C568 H352 Cl48 F160 N64 O64 Os16 -","8","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1639","0.0971","","","0.2096","0.2435","","","","","","1.07","","","","has coordinates","227306","2020-10-21","18:00:00",""
"4035913","7.4505","0.0006","11.269","0.0009","31.662","0.002","90","","90","","90","","2658.3","0.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","1","","An, Hejun; Mai, Shaoyu; Xuan, Qingqing; Zhou, Yao; Song, Qiuling","Gold-Catalyzed Radical-Involved Intramolecular Cyclization of Internal N-Propargylamides for the Construction of 5-Oxazole Ketones.","The Journal of organic chemistry","2019","84","1","401","408","10.1021/acs.joc.8b02334","","x-ray","0.71073","MoKα","","0.0846","0.0586","","","0.1342","0.169","","","","","","0.9801","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035934","13.4466","0.0003","9.1948","0.0002","17.3481","0.0004","90","","90","","90","","2144.9","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0406","0.0319","","","0.0783","0.0842","","","","","","1.025","","","","has coordinates","227327","2020-10-21","18:00:00",""
"4035946","10.1629","0.0005","14.3553","0.0006","20.1376","0.001","90","","90","","90","","2937.9","0.2","299.12","0.1","299.12","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C128 H112 F24 N24 O16 -","8","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0466","0.0383","","","0.0898","0.0949","","","","","","1.024","","","","has coordinates","227339","2020-10-21","18:00:00",""
"4035951","25.423","0.003","15.6051","0.0015","28.953","0.003","90","","90","","90","","11486","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Me+O-NHC","Me+O-NHC","","- C102 H24 Lu3 N3 O S2 -","- C102 H24 Lu2.9999 N3 O S2 -","- C816 H192 Lu23.9992 N24 O8 S16 -","8","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.0916","0.0789","","","0.1647","0.1716","","","","","","1.151","","","","has coordinates,has disorder","227344","2020-10-21","18:00:00",""
"4036000","12.4803","0.0001","17.4877","0.0001","18.5699","0.0002","90","","90","","90","","4052.91","0.06","123","2","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9,9'-dimethoxy-3H,3'H-1,1'-bibenzo[f]chromene","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.045","0.0427","","","0.1159","0.118","","","","","","1.032","","","","has coordinates","227374","2020-10-21","18:00:00",""
"4036153","12.5448","0.0006","11.8243","0.0005","21.3466","0.001","90","","90","","90","","3166.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0567","0.0467","","","0.1635","0.1829","","","","","","1.55","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036182","13.8025","0.0013","12.8183","0.0006","16.7453","0.0008","90","","90","","90","","2962.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 B F4 N O -","- C14 H16 B F3.9996 N O -","- C112 H128 B8 F31.9968 N8 O8 -","8","1","","Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio","Synthesis of bench-stable diarylmethylium tetrafluoroborates.","The Journal of organic chemistry","2015","80","9","4791","4796","10.1021/acs.joc.5b00418","","x-ray","0.71073","MoKα","","0.1005","0.0889","","","0.2737","0.2891","","","","","","1.012","","","","has coordinates,has disorder","234357","2020-10-21","18:00:00",""
"4036190","12.7329","0.0003","9.8758","0.0002","20.0466","0.0005","90","","90","","90","","2520.81","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","0.71073","MoKα","","0.0614","0.0479","","","0.1323","0.1381","","","","","","1.15","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036252","8.1336","0.0008","16.8844","0.0017","25.54","0.003","90","","90","","90","","3507.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","","Sha, Feng; Tao, Yuan; Tang, Chen-Yu; Zhang, Fei; Wu, Xin-Yan","Construction of Benzo[c]carbazoles and Their Antitumor Derivatives through the Diels-Alder Reaction of 2-Alkenylindoles and Arynes.","The Journal of organic chemistry","2015","80","16","8122","8133","10.1021/acs.joc.5b01223","","","0.71073","MoKα","","0.0668","0.0506","","","0.1264","0.1408","","","","","","1.021","","","","has coordinates","234455","2020-10-21","18:00:00",""
"4036274","14.9074","0.0006","7.1186","0.0003","26.7266","0.0011","90","","90","","90","","2836.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 S2 -","- C16 H9 N3 S2 -","- C128 H72 N24 S16 -","8","1","","Mitra, Shubhanjan; Ghosh, Monoranjan; Mishra, Subhajit; Hajra, Alakananda","Metal-Free Thiocyanation of Imidazoheterocycles through Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2015","80","16","8275","8281","10.1021/acs.joc.5b01369","","","0.71073","MoKα","","0.0827","0.0642","","","0.2326","0.25","","","","","","2.003","","","","has coordinates","234491","2020-10-21","18:00:00",""
"4036280","8.0665","0.0005","16.2776","0.0008","32.7774","0.0016","90","","90","","90","","4303.8","0.4","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C176 H192 N16 O32 S16 -","8","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.068","","","","0.188","","","","","","1.108","","","","has coordinates","234502","2020-10-21","18:00:00",""
"4036309","13.5078","0.0008","9.166","0.0005","19.8312","0.0013","90","","90","","90","","2455.4","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dimethyl-N-phenyl-3,6-dihydro-2H-1,2-oxazine-2-carbox-amide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.0426","","","0.1151","0.1258","","","","","","1.021","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036312","12.7936","0.0001","16.4968","0.0001","16.9867","0.0001","90","","90","","90","","3585.1","0.04","150","","150","","","","","","","","from U of Wollongong","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0326","0.0319","","0.0852","0.0847","0.0852","","","","","","1.0041","","","","has coordinates","234531","2020-10-21","18:00:00",""
"4036388","7.968","0.002","20.772","0.006","26.086","0.008","90","","90","","90","","4318","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H56 O12 -","- C52 H56 O12 -","- C208 H224 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1614","0.0776","","","0.1775","0.2233","","","","","","1.01","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036396","11.97","0.0009","7.4348","0.0007","29.213","0.002","90","","90","","90","","2599.8","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0569","0.0398","","","0.0982","0.1115","","","","","","1.051","","","","has coordinates","234629","2020-10-21","18:00:00",""
"4036407","15.334","0.003","6.3606","0.0013","23.307","0.005","90","","90","","90","","2273.2","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C88 H96 I8 N8 O16 -","8","1","","Liu, Gong-Qing; Yang, Chun-Hua; Li, Yue-Ming","Modular Preparation of 5-Halomethyl-2-oxazolines via PhI(OAc)2-Promoted Intramolecular Halooxygenation of N-Allylcarboxamides.","The Journal of organic chemistry","2015","80","22","11339","11350","10.1021/acs.joc.5b01832","","","0.71073","MoKα","","0.0474","0.0382","","","0.0857","0.0911","","","","","","1.101","","","","has coordinates,has disorder","234644","2020-10-21","18:00:00",""
"4036414","16.4246","0.0005","11.9941","0.0004","17.9328","0.0005","90","","90","","90","","3532.73","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","","0.0453","","","0.1201","0.1402","","","","","","1.007","","","","has coordinates","234655","2020-10-21","18:00:00",""
"4036429","11.3083","0.0006","7.5075","0.0004","30.7521","0.0018","90","","90","","90","","2610.8","0.2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Chen, Jijun; Shao, Ying; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Metal-Free Coupling of 2-Vinylphenols and Carboxylic Acids: An Access to 3-Acyloxy-2,3-dihydrobenzofurans.","The Journal of organic chemistry","2015","80","21","10734","10741","10.1021/acs.joc.5b01941","","","0.71073","MoKα","","0.0956","0.0563","","","0.1135","0.1273","","","","","","1.071","","","","has coordinates","234680","2020-10-21","18:00:00",""
"4036451","11.635","0.004","8.427","0.003","41.37","0.015","90","","90","","90","","4056","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H32 N2 O5 Si -","- C17 H32 N2 O5 Si -","- C136 H256 N16 O40 Si8 -","8","1","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.1572","0.0865","","","0.1747","0.2014","","","","","","1.062","","","","has coordinates","234709","2020-10-21","18:00:00",""
"4036481","18.5763","0.0009","9.734","0.0005","19.8284","0.001","90","","90","","90","","3585.4","0.3","100","","99.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C160 H184 N16 O24 P8 -","8","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0388","0.0298","","","0.0768","0.0807","","","","","","0.999","","","","has coordinates","234751","2020-10-21","18:00:00",""
"4036490","8.1798","0.0002","18.7387","0.0005","26.748","0.0008","90","","90","","90","","4099.9","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H19 N O2 -","- C29 H19 N O2 -","- C232 H152 N8 O16 -","8","1","","Fischer, Fabian; Siegle, Alexander F.; Checinski, Marek; Fischer, Christine; Kral, Karolin; Thede, Richard; Trapp, Oliver; Hapke, Marko","Synthesis of Naphthylpyridines from Unsymmetrical Naphthylheptadiynes and the Configurational Stability of the Biaryl Axis.","The Journal of organic chemistry","2016","81","8","3087","3102","10.1021/acs.joc.5b02190","","","1.54178","CuKα","","0.0372","0.0337","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","234764","2020-10-21","18:00:00",""
"4036536","12.0445","0.0017","7.3901","0.001","31.14","0.004","90","","90","","90","","2771.8","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F -","- C22 H13 F -","- C176 H104 F8 -","8","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.1105","0.0494","","","0.1201","0.1498","","","","","","1.025","","","","has coordinates","234835","2020-10-21","18:00:00",""
"4036584","10.9656","0.0014","17.723","0.003","23.255","0.003","90","","90","","90","","4519.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C184 H192 N16 O40 S8 -","8","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.0875","0.0445","","","0.1063","0.1301","","","","","","1.002","","","","has coordinates","234908","2020-10-21","18:00:00",""
"4036664","7.497","0.002","9.928","0.003","23.123","0.006","90","","90","","90","","1721","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C48 H64 N8 O48 P8 -","8","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0364","0.0286","","","0.079","0.0829","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036673","12.742","0.003","14.71","0.003","29.88","0.006","90","","90","","90","","5601","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H36 B N3 -","- C35 H36 B N3 -","- C280 H288 B8 N24 -","8","1","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.2488","0.1087","","","0.2289","0.315","","","","","","0.986","","","","has coordinates","235061","2020-10-21","18:00:00",""
"4036712","14.855","0.008","14.726","0.008","16.022","0.009","90","","90","","90","","3505","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl N O -","- C22 H18 Cl N O -","- C176 H144 Cl8 N8 O8 -","8","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.0565","0.0448","","","0.1058","0.1126","","","","","","1.024","","","","has coordinates","235117","2020-10-21","18:00:00",""
"4036733","11.6051","0.0005","22.0708","0.001","21.4258","0.0012","90","","90","","90","","5487.9","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C272 H208 N32 -","8","1","","Nebe, Marco M.; Kucukdisli, Murat; Opatz, Till","3,4-Dihydro-2H-pyrrole-2-carbonitriles: Useful Intermediates in the Synthesis of Fused Pyrroles and 2,2'-Bipyrroles.","The Journal of organic chemistry","2016","81","10","4112","4121","10.1021/acs.joc.6b00393","","","0.71073","MoKα","","0.1126","0.0462","","","0.0927","0.1157","","","","","","0.905","","","","has coordinates","235145","2020-10-21","18:00:00",""
"4036763","17.0506","0.0013","22.1823","0.0017","24.7831","0.0019","90","","90","","90","","9373.5","1.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4CMeCz","","","- C66 H52 N4 -","- C66 H52 N4 -","- C528 H416 N32 -","8","1","","Kuroda, Yasuhiro; Sakamoto, Youichi; Suzuki, Toshiyasu; Kayahara, Eiichi; Yamago, Shigeru","Tetracyclo(2,7-carbazole)s: Diatropicity and Paratropicity of Inner Regions of Nanohoops.","The Journal of organic chemistry","2016","81","8","3356","3363","10.1021/acs.joc.6b00425","","","0.7","synchrotron","","0.1914","0.1646","","","0.4331","0.447","","","","","","3.14","","","","has coordinates","235200","2020-10-21","18:00:00",""
"4036838","16.476","0.003","14.05","0.002","19.613","0.004","90","","90","","90","","4540.2","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-6-(diphenyl((trimethylsilyl)oxy)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H30 N2 O3 Si -","- C23 H30 N2 O3 Si -","- C184 H240 N16 O24 Si8 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1349","0.0592","","","0.0562","0.0641","","","","","","1.007","","","","has coordinates","235314","2020-10-21","18:00:00",""
"4036850","17.993","0.002","8.4777","0.0009","19.7049","0.0018","90","","90","","90","","3005.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-5-fluoro-6-((S*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H19 F N2 O3 -","- C16 H19 F N2 O3 -","- C128 H152 F8 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.084","0.045","","","0.073","0.0797","","","","","","0.997","","","","has coordinates","235333","2020-10-21","18:00:00",""
"4036862","17.4991","0.0009","14.1069","0.0006","17.6306","0.0008","90","","90","","90","","4352.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C216 H184 N8 O24 -","8","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.1038","0.0529","","","0.1239","0.1623","","","","","","1.042","","","","has coordinates","235348","2020-10-21","18:00:00",""
"4036988","18.9453","0.0019","6.9618","0.0007","20.894","0.003","90","","90","","90","","2755.8","0.6","293","2","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 -","- C18 H11 N3 -","- C144 H88 N24 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Deb, Indubhusan","Ruthenium-Catalyzed Direct and Selective C-H Cyanation of N-(Hetero)aryl-7-azaindoles.","The Journal of organic chemistry","2016","81","15","6525","6534","10.1021/acs.joc.6b01148","","","0.71073","MoKα","","0.1657","0.0547","","","0.1316","0.1993","","","","","","0.92","","","","has coordinates","235522","2020-10-21","18:00:00",""
"4036997","8.7872","0.0005","18.8893","0.0011","26.3974","0.0015","90","","90","","90","","4381.5","0.4","291.98","0.1","291.98","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl2 N Rh -","- C24 H26 Cl2 N Rh -","- C192 H208 Cl16 N8 Rh8 -","8","1","","Huang, Qiufeng; Han, Qingshuai; Fu, Shurong; Yao, Zizhu; Su, Lv; Zhang, Xiaofeng; Lin, Shen; Xiang, Shengchang","Rhodium-Catalyzed NH-Indole-Directed C-H Carbonylation with Carbon Monoxide: Synthesis of 6H-Isoindolo[2,1-a]indol-6-ones.","The Journal of organic chemistry","2016","81","24","12135","12142","10.1021/acs.joc.6b01200","","x-ray","1.54184","CuKα","","0.15","0.061","","","0.0822","0.1098","","","","","","1.016","","","","has coordinates","235537","2020-10-21","18:00:00",""
"4037011","8.309","0.01","9.627","0.011","19.08","0.02","90","","90","","90","","1526","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H8 N6 -","- C5 H8 N6 -","- C40 H64 N48 -","8","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0528","0.0425","","","0.1255","0.1352","","","","","","1.016","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037069","9.4783","0.0009","27.727","0.002","35.544","0.003","90","","90","","90","","9341.1","1.4","113","2","113","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.0514","0.0443","","","0.1176","0.1222","","","","","","1.028","","","","has coordinates,has disorder","235627","2020-10-21","18:00:00",""
"4037082","12.6015","0.0002","9.4461","0.0002","37.952","0.0009","90","","90","","90","","4517.62","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N6 O4 -","- C22 H30 N6 O4 -","- C176 H240 N48 O32 -","8","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0433","0.036","","","0.0849","0.0907","","","","","","1.054","","","","has coordinates","235645","2020-10-21","18:00:00",""
"4037119","12.5517","0.0003","14.7684","0.0003","18.5336","0.0004","90","","90","","90","","3435.55","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C160 H136 N8 O24 S8 -","8","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0311","0.0285","","","0.075","0.0768","","","","","","1.061","","","","has coordinates","235684","2020-10-21","18:00:00",""
"4037169","23.3663","0.0014","15.2047","0.001","34.53","0.003","90","","90","","90","","12267.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H25 N O4 S -","- C42 H25 N O4 S -","- C672 H400 N16 O64 S16 -","16","2","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.114","0.0618","","","0.1124","0.1427","","","","","","1.228","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"4037218","11.106","0.0005","10.7491","0.0005","23.3289","0.0011","90","","90","","90","","2785","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C112 H152 N8 O32 -","8","1","","Rit, Raja K.; Ghosh, Koushik; Mandal, Rajib; Sahoo, Akhila K.","Ruthenium-Catalyzed Intramolecular Hydroarylation of Arenes and Mechanistic Study: Synthesis of Dihydrobenzofurans, Indolines, and Chromans.","The Journal of organic chemistry","2016","81","18","8552","8560","10.1021/acs.joc.6b01734","","","0.71073","MoKα","","0.0401","0.0377","","","0.1016","0.1038","","","","","","1.053","","","","has coordinates","235814","2020-10-21","18:00:00",""
"4037235","12.232","0.005","8.022","0.005","35.84","0.005","90","0.005","90","0.005","90","0.005","3517","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C152 H112 O16 S24 -","8","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.2886","0.084","","","0.1516","0.2472","","","","","","0.904","","","","has coordinates","235844","2020-10-21","18:00:00",""
"4037266","14.167","0.0009","14.7098","0.0009","19.8422","0.0012","90","","90","","90","","4135","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BillRuComp (DCM/ether)","","","- C23 H21 F6 P Ru -","- C23 H21 F6 P Ru -","- C184 H168 F48 P8 Ru8 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0682","0.0551","","","0.1559","0.1685","","","","","","1.057","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037292","11.93","0.0005","9.6569","0.0005","22.248","0.0011","90","","90","","90","","2563.1","0.2","0","2","0","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F3 N2 O4 -","- C12 H11 F3 N2 O4 -","- C96 H88 F24 N16 O32 -","8","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0533","0.0389","","","0.1221","0.1325","","","","","","1.044","","","","has coordinates","235900","2020-10-21","18:00:00",""
"4037294","19.289","0.004","11.081","0.002","23.943","0.005","90","","90","","90","","5117.6","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C232 H200 Br8 O24 Si8 -","8","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0749","0.0403","","","0.1003","0.135","","","","","","1.085","","","","has coordinates","235904","2020-10-21","18:00:00",""
"4037314","8.6368","0.0002","12.3637","0.0003","27.5206","0.0007","90","","90","","90","","2938.73","0.12","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Liu, Jing; Wei, Wei; Zhao, Ting; Liu, Xuanyu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Iodine/Copper Iodide-Mediated C-H Functionalization: Synthesis of Imidazo[1,2-a]pyridines and Indoles from N-Aryl Enamines.","The Journal of organic chemistry","2016","81","19","9326","9336","10.1021/acs.joc.6b01960","","","0.71073","MoKα","","0.0523","0.0446","","","0.1187","0.1237","","","","","","1.06","","","","has coordinates","235936","2020-10-21","18:00:00",""
"4037367","14.9752","0.0018","15.4208","0.0017","17.234","0.002","90","","90","","90","","3979.8","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R*,4S*)-5,5-bis(4-fluorophenyl)-4-(2-hydroxyphenyl)-3-methyldihydrofuran-2(3H)-one","","- C23 H18 F2 O3 -","- C23 H18 F2 O4 -","- C184 H144 F16 O32 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1699","0.0454","","","0.0556","0.063","","","","","","1.033","","","","has coordinates","236022","2020-10-21","18:00:00",""
"4037409","17.0118","0.0018","10.9267","0.0011","20.145","0.003","90","","90","","90","","3744.6","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","","Hao, Wen-Juan; Gao, Qian; Jiang, Bo; Liu, Feng; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Base-Promoted [4 + 1]/[3 + 1 + 1] Bicyclization for Accessing Functionalized Indeno[1,2-c]furans.","The Journal of organic chemistry","2016","81","22","11276","11281","10.1021/acs.joc.6b02249","","","0.71073","MoKα","","0.1398","0.0641","","","0.123","0.1463","","","","","","1.026","","","","has coordinates,has disorder","236100","2020-10-21","18:00:00",""
"4037443","19.8948","0.0009","9.9946","0.0005","23.9226","0.0011","90","","90","","90","","4756.8","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F3 N O6 -","- C24 H30 F3 N O6 -","- C192 H240 F24 N8 O48 -","8","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0645","0.0449","","","0.0998","0.1094","","","","","","1.033","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037456","12.3982","0.0002","12.8328","0.0002","20.8001","0.0004","90","","90","","90","","3309.37","0.1","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0825","0.047","","","0.107","0.1202","","","","","","1.036","","","","has coordinates","236175","2020-10-21","18:00:00",""
"4037488","9.8868","0.0011","15.861","0.002","18.957","0.0019","90","","90","","90","","2972.7","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed, Picolinamide-Assisted, Z-Selective γ-Arylation of Allylamines To Construct Z-Cinnamylamines.","The Journal of organic chemistry","2017","82","13","6550","6567","10.1021/acs.joc.7b00535","","","0.71075","MoKα","","0.1122","0.0786","","","0.1664","0.1878","","","","","","1.174","","","","has coordinates,has disorder","236237","2020-10-21","18:00:00",""
"4037499","11.031","0.002","7.7855","0.0015","29.329","0.006","90","","90","","90","","2518.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Zhang, Ning; Lu, Xiao-Bing","1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones.","The Journal of organic chemistry","2017","82","14","7637","7642","10.1021/acs.joc.7b00963","","","0.71073","MoKα","","0.0576","0.0428","","","0.0992","0.108","","","","","","1.047","","","","has coordinates","236254","2020-10-21","18:00:00",""
"4037514","17.6246","0.0004","7.4786","0.0002","38.5418","0.0008","90","","90","","90","","5080.1","0.2","100","0.1","100","0.1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H22 -","- C44 H22 -","- C352 H176 -","8","1","","Tao, Yu-Tai; Pola, Someshwar; Kumar, Sushil; Islam, M. Minarul","Synthesis and Characterization of Contorted Pentabenzo-Fused Coronenes as Semiconducting Materials.","The Journal of organic chemistry","2017","82","15","8067","8071","10.1021/acs.joc.7b01328","","","0.71073","MoKα","","0.0489","0.0377","","","0.0963","0.1042","","","","","","1.034","","","","has coordinates","236271","2020-10-21","18:00:00",""
"4037516","14.6934","0.0009","12.412","0.0009","35.719","0.003","90","","90","","90","","6514.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 O2.5 -","- C19 H16 N3 O2.5 -","- C304 H256 N48 O40 -","16","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0708","0.0411","","","0.084","0.0975","","","","","","1.01","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037518","9.5731","0.0005","14.4963","0.0009","18.9287","0.0011","90","","90","","90","","2626.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0681","0.0467","","","0.1197","0.133","","","","","","1.05","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037549","11.923","0.002","18.737","0.004","19.416","0.004","90","","90","","90","","4337.6","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C192 H248 N8 O32 -","8","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.074","0.0621","","","0.1764","0.1876","","","","","","1.046","","","","has coordinates","236319","2020-10-21","18:00:00",""
"4037568","7.3816","0.0002","18.2822","0.0005","25.5946","0.0008","90","","90","","90","","3454.04","0.17","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0672","0.0547","","","0.1246","0.1334","","","","","","1.091","","","","has coordinates,has disorder","236356","2020-10-21","18:00:00",""
"4037599","16.6113","0.0001","12.4437","0.0001","17.761","0.0002","90","","90","","90","","3671.31","0.06","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'3',5'-Dibromo-3,5-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C176 H112 Br16 N16 -","8","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","1.5418","CuKα","","0.0255","0.025","","","0.0673","0.0676","","","","","","1.101","","","","has coordinates","243437","2020-10-21","18:00:00",""
"4037644","10.8374","0.0009","15.4836","0.0013","18.6142","0.0015","90","","90","","90","","3123.5","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1343","0.0553","","","0.1519","0.1961","","","","","","1.032","","","","has coordinates,has disorder","245154","2020-10-21","18:00:00",""
"4037648","10.3226","0.0001","10.16952","0.0001","24.1342","0.0004","90","","90","","90","","2533.51","0.05","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Tabata, Hidetsugu; Funaki, Kaoru; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Elucidation of the Active Conformation of Antiproliferative Sulfonamides, 5<i>N</i>-Arylsulfonyl-1,5-benzodiazepin-2-ones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02833","","","1.54187","CuKα","","","0.0363","","","","0.1096","","","","","","1.249","","","","has coordinates","245158","2020-10-21","18:00:00",""
"4037651","8.9003","0.0003","12.0894","0.0005","45.652","0.0018","90","","90","","90","","4912.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","jslmc1059","","","- C28 H28 Br2 O4 -","- C28 H28 Br2 O4 -","- C224 H224 Br16 O32 -","8","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","","1.54178","CuKα","","0.1383","0.0874","","","0.2157","0.2469","","","","","","1.079","","","","has coordinates","245161","2020-10-21","18:00:00",""
"4037681","6.4446","0.0001","14.5466","0.0002","37.4103","0.0004","90","","90","","90","","3507.1","0.08","150","","150","","","","","","","","local","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0481","0.0453","","0.1043","0.1029","0.1043","","","","","","1.0424","","","","has coordinates","245337","2020-10-21","18:00:00",""
"4037690","16.1616","0.0006","9.5535","0.0003","18.608","0.0006","90","","90","","90","","2873.07","0.17","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C152 H104 N24 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0745","0.0457","","0.1187","0.1017","0.1187","","","","","","0.9902","","","","has coordinates","245346","2020-10-21","18:00:00",""
"4037702","13.1789","0.0004","13.9012","0.0005","16.9206","0.0006","90","","90","","90","","3099.9","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C16 H18 B Br O2 -","- C16 H18 B Br O2 -","- C128 H144 B8 Br8 O16 -","8","1","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0832","0.0555","","","0.132","0.1491","","","","","","1.027","","","","has coordinates","245355","2020-10-21","18:00:00",""
"4037729","14.299","0.0019","10.1735","0.0013","22.696","0.003","90","","90","","90","","3301.6","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Li, Hui; Cui, Chun-Xiao; Zhang, Guang-Hua; Li, Xiao-Qiang; Yang, Jun","Regioselective Synthesis of Functionalized Dihydropyrones via Petasis Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02651","","","0.71073","MoKα","","0.0681","0.046","","","0.113","0.1241","","","","","","1.018","","","","has coordinates","246204","2020-10-21","18:00:00",""
"4037787","12.383","0.002","12.964","0.003","56.938","0.011","90","","90","","90","","9140","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C448 H384 F48 N16 O48 S16 -","16","2","","Das, Eshani; Basak, Amit","Regioselective Synthesis of Benzo-fused Tetrahydroisoquinoline-based Biaryls through a Tandem One-pot Halogenation of p-Benzynes from Enediynes and Suzuki-Miyaura Coupling.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02874","","","0.71073","MoKα","","0.2018","0.1029","","","0.2018","0.2505","","","","","","1.056","","","","has coordinates","246709","2020-10-21","18:00:00",""
"4037798","10.7991","0.0005","11.9747","0.0005","19.5546","0.001","90","","90","","90","","2528.7","0.2","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0519","0.0468","","","0.1398","0.1485","","","","","","1.069","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037799","13.0647","0.0013","9.431","0.0012","24.873","0.003","90","","90","","90","","3064.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.152","0.1073","","","0.2708","0.3532","","","","","","1.137","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037925","9.652","0.0004","9.3307","0.0005","13.2182","0.0006","90","","90","","90","","1190.43","0.1","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C48 H56 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0504","0.0464","","","0.1286","0.133","","","","","","1.082","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037929","17.669","0.002","10.1689","0.0013","18.228","0.002","90","","90","","90","","3275.1","0.7","297.15","","297.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,1,3-triphenylprop-2-en-1-imine","","- C21 H17 N -","- C21 H17 N -","- C168 H136 N8 -","8","1","","Schmidt, Elena Yu; Bidusenko, Ivan A.; Protsuk, Nadezhda I.; Demyanov, Yan; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Transition Metal-Free Superbase-Catalyzed C-H Vinylation of Aldimines with Acetylenes to 1-Azadienes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03192","","x-ray","0.71073","MoKα","","0.1288","0.0602","","","0.1205","0.1433","","","","","","1.102","","","","has coordinates","248182","2020-10-21","18:00:00",""
"4037942","10.066","0.0007","13.5727","0.0011","25.2821","0.0017","90","","90","","90","","3454.1","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C168 H144 N32 -","8","1","","Sar, Saibal; Tripathi, Ankita; Dubey, Kshatresh Dutta; Sen, Subhabrata","Iodine-Catalyzed Aerobic Diazenylation-Amination of Indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03392","","","0.71073","MoKα","","0.115","0.0542","","","0.1156","0.1459","","","","","","1.013","","","","has coordinates","248263","2020-10-21","18:00:00",""
"4037949","10.7452","0.0001","8.6766","0.0001","34.0401","0.0003","90","","90","","90","","3173.62","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0321","0.0314","","","0.0769","0.0775","","","","","","1.07","","","","has coordinates","248383","2020-10-21","18:00:00",""
"4037954","12.45","0.0013","17.1118","0.0019","20.259","0.002","90","","90","","90","","4316","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C216 H176 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","0.71073","MoKα","","0.0596","0.049","","","0.1171","0.1239","","","","","","1.095","","","","has coordinates","248388","2020-10-21","18:00:00",""
"4037981","12.209","0.0017","6.6997","0.001","29.003","0.004","90","","90","","90","","2372.3","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0812","0.0767","","","0.2476","0.2514","","","","","","1.093","","","","has coordinates","248503","2020-10-21","18:00:00",""
"4037984","9.2","","17.273","","23.09","","90","","90","","90","","3669.27","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Zheng, Guangfan; Duan, Xujing; Chen, Lu; Sun, Jiaqiong; Zhai, Shuailei; Li, Xiaojiao; Jing, Jierui; Li, Xingwei","Access to [4,3,1]-Bridged Carbocycles via Rhodium(III)-Catalyzed C-H Activation of 2-Arylindols and Annulation with Quinone Monoacetals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00018","","","0.71073","MoKα","","0.0517","0.0512","","","0.1594","0.1601","","","","","","0.656","","","","has coordinates","248506","2020-10-21","18:00:00",""
"4037995","15.3107","0.0007","7.6551","0.0003","33.1427","0.0013","90","","90","","90","","3884.5","0.3","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0499","0.0441","","","0.1133","0.1167","","","","","","1.098","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4038002","7.1359","0.0011","29.591","0.005","31.636","0.005","90","","90","","90","","6680.2","1.9","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H33 N -","- C47 H33 N -","- C376 H264 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0719","0.0657","","","0.155","0.1559","","","","","","1.011","","","","has coordinates","248676","2020-10-21","18:00:00",""
"4038069","13.2254","0.0003","7.5242","0.0002","30.3701","0.0008","90","","90","","90","","3022.15","0.13","190","2","190","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","","Bhujanga Rao, Chitturi; Zhang, Ning; Hu, Jiana; Wang, Yu; Liang, Yongjiu; Zhang, Rui; Yuan, Jingwen; Dong, Dewen","Tf<sub>2</sub>O-Mediated Cyclization of α-Acyl-β-(2-aminopyridinyl)acrylamides: Access to N-Substituted 4<i>H</i>-Pyrido[1,2-<i>a</i>]pyrimidin-4-imines.","The Journal of organic chemistry","2020","85","7","4695","4705","10.1021/acs.joc.9b03495","","","1.54178","CuKα","","0.0403","0.0372","","","0.0965","0.0998","","","","","","1.089","","","","has coordinates","250099","2020-10-21","18:00:00",""
"4038080","15.7533","0.0006","20.3581","0.0009","28.1812","0.0012","90","","90","","90","","9037.9","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Al N5 -","- C42 H55 Al N5 -","- C336 H440 Al8 N40 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","0.71073","MoKα","","0.1481","0.0917","","","0.2864","0.345","","","","","","1.055","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038089","11.6702","0.0002","18.6897","0.0003","21.5803","0.0004","90","","90","","90","","4706.93","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C200 H320 O40 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","1.54178","CuKα","","0.0421","0.0391","","","0.1089","0.1113","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4038092","8.5906","0.001","7.0884","0.0008","20.553","0.002","90","","90","","90","","1251.5","0.2","100","2","100.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C56 H64 O24 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0546","0.0425","","","0.0991","0.1043","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4038183","18.4511","0.0007","7.9564","0.0004","21.9786","0.0014","90","","90","","90","","3226.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl N O2 -","- C22 H12 Cl N O2 -","- C176 H96 Cl8 N8 O16 -","8","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0375","0.0311","","","0.0766","0.0829","","","","","","1.043","","","","has coordinates","250023","2020-10-21","18:00:00",""
"4038187","11.6638","0.0003","7.5007","0.0002","27.8059","0.0008","90","","90","","90","","2432.65","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N3 O S -","- C14 H9 N3 O S -","- C112 H72 N24 O8 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0521","0.0391","","","0.0845","0.0914","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038188","13.0311","0.0013","10.4176","0.001","30.827","0.003","90","","90","","90","","4184.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C192 H160 N32 O24 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.1051","0.0521","","","0.09","0.1022","","","","","","0.964","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038235","22.7162","0.0006","14.2568","0.0004","30.6478","0.0009","90","","90","","90","","9925.6","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","1","0.125","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.0685","0.0519","","","0.1309","0.1402","","","","","","1.032","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038247","12.5251","0.0019","7.7888","0.0012","16.98","0.003","90","","90","","90","","1656.5","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","1","0.125","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0365","","","","0.0908","","","","","","1.012","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038257","17.382","0.004","7.2895","0.0015","28.978","0.006","90","","90","","90","","3671.7","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.424","0.1319","","","0.2925","0.4008","","","","","","0.903","","","","has coordinates","251802","2020-10-21","18:00:00",""
"4038378","8.79642","0.0001","19.3254","0.0002","42.267","0.0006","90","","90","","90","","7185.15","0.15","99.99","0.18","99.99","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 F3 N6 O3 P S -","- C41 H30 F3 N6 O3 P S -","- C328 H240 F24 N48 O24 P8 S8 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0485","0.0451","","","0.1107","0.1131","","","","","","1.11","","","","has coordinates","252122","2020-10-21","18:00:00",""
"4038394","4.9482","0.0006","26.28","0.003","32.363","0.003","90","","90","","90","","4208.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O -","- C28 H23 N O -","- C224 H184 N8 O8 -","8","1","","Zhang, Jie; Wang, Jia-Yin; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Ligand-Free Pd-Catalyzed Synthesis of 3-Allylbenzofurans by Merging Decarboxylative Allylation and Nucleophilic Cyclization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00375","","","1.54178","CuKα","","0.1883","0.1172","","","0.3104","0.3626","","","","","","1.056","","","","has coordinates","252183","2020-10-21","18:00:00",""
"4038407","8.2239","0.001","11.2158","0.0011","25.146","0.003","90","","90","","90","","2319.4","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 F3 N O S -","- C12 H8 F3 N O S -","- C96 H64 F24 N8 O8 S8 -","8","1","","Yoo, Jeyeon; Ha, Heun-Jong; Kim, Bora; Cho, Chang-Woo","Synthesis of α-Trifluoromethylthio-α,β-unsaturated Carbonyl Compounds by DABCO-Mediated Electrophilic Trifluoromethylthiolation with <i>N</i>-SCF<sub>3</sub>-dibenzenesulfonimide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00448","","","0.71073","MoKα","","0.0823","0.0588","","","0.1393","0.1554","","","","","","1.042","","","","has coordinates","252289","2020-10-21","18:00:00",""
"4038409","14.3278","0.0008","16.401","0.0009","28.7615","0.0016","90","","90","","90","","6758.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H54 B F4 N4 P -","- C31 H54 B F4 N4 P -","- C248 H432 B8 F32 N32 P8 -","8","1","","Mboyi, Clève Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi","Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00847","","","0.71073","MoKα","","0.0828","0.0575","","0.0627","0.0477","0.0437","","","","","","1.102","","","","has coordinates","252362","2020-10-21","18:00:00",""
"4038432","19.1861","0.001","8.0835","0.0004","21.0439","0.0011","90","","90","","90","","3263.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O -","- C23 H20 O -","- C184 H160 O8 -","8","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.055","0.0472","","","0.1191","0.1244","","","","","","1.063","","","","has coordinates","252460","2020-10-21","18:00:00",""
"4038456","18.6397","0.0007","11.6276","0.0006","20.5913","0.0009","90","","90","","90","","4462.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F6 N2 O3 -","- C24 H14 F6 N2 O3 -","- C192 H112 F48 N16 O24 -","8","1","","Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan","Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03470","","x-ray","0.71073","MoKα","","0.1469","0.1083","","","0.3634","0.3985","","","","","","1.466","","","","has coordinates","252555","2020-10-21","18:00:00",""
"4038567","21.5878","0.0004","11.8658","0.0002","23.2836","0.0003","90","","90","","90","","5964.25","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H33 N3 O6 S -","- C34 H33 N3 O6 S -","- C272 H264 N24 O48 S8 -","8","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.0702","0.0581","","","0.1548","0.1651","","","","","","1.083","","","","has coordinates","254193","2020-10-21","18:00:00",""
"4038597","18.8334","0.0003","17.4964","0.0003","19.2021","0.0003","90","","90","","90","","6327.41","0.18","302","2","302.61","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 N3 O8 -","- C30 H43 N3 O8 -","- C240 H344 N24 O64 -","8","1","","Zhang, Mengsi; Li, Baojun; Chen, Huimin; Lu, Haotian; Ma, Hailong; Cheng, Xiaoyu; Wang, Wenbo; Wang, Yue; Ding, Yun; Hu, Aiguo","Triggering the Antitumor Activity of Acyclic Enediyne through Maleimide Assisted Rearrangement and Cycloaromatization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01124","","","1.34139","GaKα","","0.0559","0.0443","","","0.1143","0.1231","","","","","","1.042","","","","has coordinates","254484","2020-10-21","18:00:00",""
"4038616","12.4873","0.0018","14.046","0.002","29.563","0.004","90","","90","","90","","5185.3","1.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C208 H328 N8 O40 Si8 -","8","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","","0.71075","MoKα","","","0.0665","","","","0.18","","","","","","1.085","","","","has coordinates","254607","2020-10-21","18:00:00",""
"4038624","7.3169","0.0001","21.1822","0.0002","21.2038","0.0002","90","","90","","90","","3286.34","0.06","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0925","0.0942","","","","","","1.025","","","","has coordinates","254659","2020-10-21","18:00:00",""
"4038638","10.1603","0.0006","14.3842","0.0007","29.7704","0.0018","90","","90","","90","","4350.9","0.4","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O4 -","- C30 H18 O4 -","- C240 H144 O32 -","8","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0759","0.0436","","0.1038","0.0895","0.1036","","","","","","0.9672","","","","has coordinates","254744","2020-10-21","18:00:00",""
"4038667","23.94","0.03","10.015","0.003","26.173","0.015","90","","90","","90","","6275","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H37 N5 O3 -","- C36 H37 N5 O3 -","- C288 H296 N40 O24 -","8","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.4631","0.0983","","","0.1124","0.2015","","","","","","0.9","","","","has coordinates","255219","2020-10-21","18:00:00",""
"4038709","20.84906","0.00018","14.0884","0.00011","38.1251","0.0003","90","","90","","90","","11198.5","0.16","160","0.1","160","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C61 H84 O10 -","- C61 H84 O10 -","- C488 H672 O80 -","8","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1084","0.1165","","","","","","1.052","","","","has coordinates","255560","2020-10-21","18:00:00",""
"4038751","8.6036","0.0013","11.7912","0.0019","21.27","0.003","90","","90","","90","","2157.8","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.1215","0.0633","","","0.1364","0.164","","","","","","1.01","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038767","13.8795","0.0016","11.3828","0.0013","23.518","0.003","90","","90","","90","","3715.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","O-4-Chloro-2-((3-chlorophenyl)carbamoyl)phenyl N,N-diethylcarbamate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C144 H144 Cl16 N16 O24 -","8","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0627","0.0416","","","0.1067","0.1207","","","","","","1.022","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038787","11.62377","0.00013","11.62379","0.00012","19.3359","0.0002","90","","90","","90","","2612.52","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1H-indol-2-yl)-2-phenylethan-1-amine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Aksenov, Alexander V.; Griaznov, Georgii D.; Rubin, Michael","Synthesis of 2-(1<i>H</i>-Indol-2-yl)acetamides via Brønsted Acid-Assisted Cyclization Cascade.","The Journal of organic chemistry","2020","85","19","12128","12146","10.1021/acs.joc.0c01344","","x-ray","1.54184","CuKα","","0.0466","0.043","","","0.1306","0.1349","","","","","","1.046","","","","has coordinates,has disorder","257147","2020-10-21","18:00:00",""
"4038790","13.6","0.0004","7.1637","0.0002","29.5605","0.001","90","","90","","90","","2879.97","0.15","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 O4 P -","- C16 H15 O4 P -","- C128 H120 O32 P8 -","8","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0606","0.0396","","","0.0876","0.0997","","","","","","1.061","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038836","18.889","0.004","11.865","0.002","19.04","0.005","90","","90","","90","","4267.2","1.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Lim, Taehyun; Kim, Byeong Moon","Synthesis of α-aminophosphonates via phosphonylation of an aryne-imine adduct.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01410","","","0.71073","MoKα","","0.1547","0.0703","","","0.1833","0.2366","","","","","","1.031","","","","has coordinates","256685","2020-10-21","18:00:00",""
"4038986","12.2697","0.0001","12.9259","0.0002","19.0862","0.0002","90","","90","","90","","3027.01","0.06","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Te2I10](PyH)2","'bis(pyridonium) bis(m-2 iodo octaiodo di-telurium)'","","- C10 H12 I10 N2 Te2 -","- C10 H12 I10 N2 Te2 -","- C40 H48 I40 N8 Te8 -","4","0.5","","Faoro, Eliandro; de Oliveira, Gelson Manzoni; Lang, Ernesto Schulz; Pereira, Cesar Bicca","Synthesis and structural features of new aryltellurenyl iodides","Journal of Organometallic Chemistry","2010","695","10-11","1480","1486","10.1016/j.jorganchem.2010.03.004","","","0.71073","MoKα","","0.0291","0.0208","","","0.0371","0.0395","","","","","","1.024","","","","has coordinates","272288","2022-01-27","10:32:31",""
"4038999","12.8587","0.0003","8.9635","0.0002","30.2132","0.0007","90","","90","","90","","3482.34","0.14","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0456","0.0376","","","0.0974","0.1038","","","","","","1.033","","","","has coordinates,has Fobs","276091","2022-06-18","15:03:22",""
"4039000","12.955","0.0012","9.0569","0.0009","30.47","0.003","90","","90","","90","","3575.1","0.6","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0478","0.0419","","","0.106","0.112","","","","","","1.038","","","","has coordinates,has Fobs","276094","2022-06-18","15:03:36",""
"4039009","9.9404","0.0003","12.579","0.0004","15.1193","0.0004","90","","90","","90","","1890.52","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0379","0.0376","","","0.0996","0.0999","","","","","","1.043","","","","has coordinates,has Fobs","276103","2022-06-18","15:05:19",""
"4060018","8.6521","0.0008","17.2931","0.0015","23.187","0.002","90","","90","","90","","3469.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 P2 W -","- C14 H15 N O5 P2 W -","- C112 H120 N8 O40 P16 W8 -","8","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0756","0.0453","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:27:56",""
"4060025","15.8359","0.0019","18.0027","0.0018","20.0598","0.0017","90","","90","","90","","5718.8","1","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 Co F8 N3 -","- C24 H17 Br2 Cl2 Co F8 N3 -","- C192 H136 Br16 Cl16 Co8 F64 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1051","0.0522","","","0.1007","0.114","","","","","","0.962","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060029","15.962","0.003","17.976","0.003","20.154","0.002","90","","90","","90","","5782.7","1.6","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C192 H136 Br16 Cl16 F64 Fe8 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1116","0.0513","","","0.0884","0.1019","","","","","","0.966","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060045","17.281","0.004","10.375","0.002","19.912","0.004","90","","90","","90","","3570.3","1.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 Cl N2 Ni -","- C18 H23 Cl N2 Ni -","- C144 H184 Cl8 N16 Ni8 -","8","1","","Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang","Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization","Organometallics","2005","24","","331","334","10.1021/om049334d","","","0.7107","MoKα","","","0.035","","","","0.049","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060096","19.296","0.003","17.896","0.003","21.224","0.004","90","","90","","90","","7329","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H24 N2 O10 Ru5 -","- C37 H24 N2 O10 Ru5 -","- C296 H192 N16 O80 Ru40 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0548","0.0439","","","0.0824","0.0909","","","","","","1.22","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060115","14.8881","0.0013","6.9587","0.0006","15.4139","0.0014","90","","90","","90","","1596.9","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H8 Au Cl N2 -","- C5 H8 Au Cl N2 -","- C40 H64 Au8 Cl8 N16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0393","0.0361","","0.1046","0.1018","","","","1.216","1.243","1.243","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060127","20.36","0.003","20.087","0.002","22.375","0.002","90","","90","","90","","9151","2","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53.85 H53.55 Cl0.15 N4 P2 Ti -","- C53.85 H53.55 Cl0.15 N4 P2 Ti -","- C430.8 H428.4 Cl1.2 N32 P16 Ti8 -","8","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0569","0.0421","","","0.0906","0.0914","","","","","","2.254","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060197","16.3884","0.001","19.5173","0.001","19.9185","0.001","90","","90","","90","","6371.1","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)ytterbium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 O14 Yb -","- C23 H25 Co4 O14 Yb -","- C184 H200 Co32 O112 Yb8 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0779","0.0417","","","0.1015","0.1205","","","","","","1.058","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060198","16.3813","0.001","19.7197","0.001","20.0949","0.001","90","","90","","90","","6491.3","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)europium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 Eu O14 -","- C23 H30 Co4 Eu O14 -","- C184 H240 Co32 Eu8 O112 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0489","0.0349","","","0.0789","0.0847","","","","","","1.015","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060228","18.821","0.001","18.95","0.001","19.487","0.001","90","","90","","90","","6950.2","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","fac-[2-methoxycarbonylvinylbis(diphenylphosphanyl)methanide tricarbonyl tertbutylisocyanide manganese(I)]","","- C37 H34 Mn N O5 P2 -","- C37 H34 Mn N O5 P2 -","- C296 H272 Mn8 N8 O40 P16 -","8","1","","Javier Ruiz; Roberto Quesada; Víctor Riera; Eduardo Castellano; Oscar Piro","Metal-Assisted Regio- and Stereospecific Insertion of Alkynes into a C-H Bond, Leading to Functionalized Diphosphane Ligands","Organometallics","2004","23","","175","177","10.1021/om034269d","","","0.71073","MoKα","","0.0586","0.0421","","","0.1098","0.1224","","","","","","1.067","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060333","17.613","0.0002","12.846","0.0003","20.98","0.0003","90","","90","","90","","4746.86","0.14","230","0.2","230","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N2 Ni O2 Si2 -","- C19 H32 N2 Ni O2 Si2 -","- C152 H256 N16 Ni8 O16 Si16 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060350","14.2005","0.0003","20.7594","0.0005","16.4489","0.0006","90","","90","","90","","4849","0.4","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H33 Cl Co F6 N2 P -","- C21 H32 Cl Co F6 N2 P -","- C168 H256 Cl8 Co8 F48 N16 P8 -","8","1","","Mike Robitzer; Imenne Bouamaied; Claude Sirlin; Preston A. Chase; Gerard van Koten; Michel Pfeffer","Transmetalation of Aryl Units from Gold(I) to Cobalt(III), A Clean Route to the Synthesis of Anion Cobaltoreceptors","Organometallics","2005","","","","","10.1021/om0490482","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060396","20.9484","0.0011","19.8989","0.001","21.2596","0.0011","90","","90","","90","","8862.1","0.8","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H54 B10 P2 Rh2 -","- C46 H54 B10 P2 Rh2 -","- C368 H432 B80 P16 Rh16 -","8","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060436","14.165","0.008","16.231","0.009","17.57","0.01","90","","90","","90","","4040","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","disiloxane-bis(1-indenyl)-ansa-ferrocene","","","- C22 H24 Fe O Si2 -","- C22 H24 Fe O Si2 -","- C176 H192 Fe8 O8 Si16 -","8","1","","Brook, Michael A.; Amako, Masaaki; Schinkel, Jonathan; McGlinchey, Michael J.; Britten, James F.","","Organometallics","2005","","","","","10.1021/om0491847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060443","18.489","0.004","18.933","0.004","22.152","0.004","90","","90","","90","","7754","3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H57 Li N2 O P2 -","- C41 H57 Li N2 O P2 -","- C328 H456 Li8 N16 O8 P16 -","8","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060465","21.529","0.003","22.213","0.003","25.426","0.004","90","","90","","90","","12159","3","118","2","118","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H63 B F20 N2 Ti -","- C63 H63 B F20 N2 Ti -","- C504 H504 B8 F160 N16 Ti8 -","8","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060569","8.0303","0.0003","16.5205","0.0007","21.9315","0.0009","90","","90","","90","","2909.5","0.2","98","","98","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Zr -","- C16 H24 Zr -","- C128 H192 Zr8 -","8","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060570","19.562","0.001","19.585","0.001","44.077","0.001","90","","90","","90","","16886.9","1.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H43 B F4 P2 Pd -","- C51 H43 B F4 P2 Pd -","- C816 H688 B16 F64 P32 Pd16 -","16","2","","Christian Amatore; Ali A. Bahsoun; Anny Jutand; Laure Mensah; Gilbert Meyer; Louis Ricard","Rate and Mechanism of the Reaction of (E)-PhCH=CH-CH(Ph)-OAc with Palladium(0) Complexes","Organometallics","2005","","","","","10.1021/om049420d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060608","17.067","0.0003","19.23","0.0005","23.187","0.0005","90","","90","","90","","7609.9","0.3","30","2","30","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 F N4 O Ru -","- C43 H48 F N4 O Ru -","- C344 H384 F8 N32 O8 Ru8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060610","17.067","0.0003","19.23","0.0005","23.187","0.0005","90","","90","","90","","7609.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 F N4 O Ru -","- C43 H49 F N4 O Ru -","- C344 H392 F8 N32 O8 Ru8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060700","17.194","0.0002","19.361","0.0002","23.192","0.0002","90","","90","","90","","7720.46","0.14","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H52 N4 O2 Ru -","- C43 H50 N4 O2 Ru -","- C344 H400 N32 O16 Ru8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060727","19.667","0.0001","14.458","0.0002","23.375","0.0003","90","","90","","90","","6646.58","0.13","183","","183","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 Al O2 Y -","- C32 H54 Al O2 Y -","- C256 H432 Al8 O16 Y8 -","8","1","","Fischbach, A.; Herdtweck, E.; Anwander, R.; Eickerling, G.; Scherer, W.","Reactivity of Trimethylaluminium with Lanthanide Aryloxides: Adduct and Tetramethylaluminate Formation","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060728","19.666","0.0001","14.45","0.0002","23.253","0.0002","90","","90","","90","","6607.89","0.11","183","","183","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 Al Lu O2 -","- C32 H54 Al Lu O2 -","- C256 H432 Al8 Lu8 O16 -","8","1","","Fischbach, A.; Herdtweck, E.; Anwander, R.; Eickerling, G.; Scherer, W.","Reactivity of Trimethylaluminium with Lanthanide Aryloxides: Adduct and Tetramethylaluminate Formation","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060745","11.9586","0.0005","20.3922","0.0008","23.0706","0.0009","90","","90","","90","","5626","0.4","142","2","142","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H42 N4 O -","- C29 H42 N4 O -","- C232 H336 N32 O8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060753","13.924","0.002","17.67","0.002","22.157","0.003","90","","90","","90","","5451.4","1.2","295","0.2","295","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl O Os P -","- C29 H33 Cl O Os P -","- C232 H264 Cl8 O8 Os8 P8 -","8","1","","Jorge J. Carbó; Pascale Crochet; Miguel A. Esteruelas; Yves Jean; Agustí Lledós; Ana M. López; Enrique Oñate","Two- and Four-Electron Alkyne Ligands in Osmium-Cyclopentadienyl Chemistry: Consequences of the π⊥→M Interaction","Organometallics","2002","21","","305","314","10.1021/om010645n","","","0.71069","MoKα","","0.0681","0.0351","","","0.0696","0.0813","","","","","","1.039","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00",""
"4060777","20.482","0.004","9.485","0.002","33.63","0.007","90","","90","","90","","6533","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Br3 N O3 P Pd -","- C31 H35 Br3 N O3 P Pd -","- C248 H280 Br24 N8 O24 P8 Pd8 -","8","1","","Cera, M; Cerrada,E.; Laguna,M.; Mata, J. A.; Teruel, H.","","Organometallics","2002","","","","","10.1021/om010541c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060779","14.9434","0.0017","12.5281","0.0015","24.351","0.003","90","","90","","90","","4558.7","0.9","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tBuCalcocene.DME","","","- C24 H38 Ca O2 -","- C24 H38 Ca O2 -","- C192 H304 Ca8 O16 -","8","1","","Cera, M; Cerrada,E.; Laguna,M.; Mata, J. A.; Teruel, H.","","Organometallics","2002","","","","","10.1021/om010614s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060782","12.896","0.002","9.091","0.001","16.684","0.004","90","","90","","90","","1956","0.6","213","","213","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 I2 N4 Ni -","- C14 H24 I2 N4 Ni -","- C56 H96 I8 N16 Ni4 -","4","0.5","","McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli","Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid","Organometallics","2002","21","1","175","181","10.1021/om010717a","","","","","","","","","","","","","","","","","","","","","has coordinates","208742","2020-10-21","18:00:00",""
"4060987","13.7651","0.0003","13.8575","0.0003","24.5446","0.0005","90","","90","","90","","4681.88","0.17","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B4 Ir Mo N O3 -","- C18 H31.69 B4 Ir Mo N O3 -","- C144 H253.52 B32 Ir8 Mo8 N8 O24 -","8","1","","Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce","Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a ""Lightly Stabilized"" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)","Organometallics","2004","23","25","5994","6001","10.1021/om049308f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061007","8.6882","0.0005","19.1772","0.0009","22.1636","0.001","90","","90","","90","","3692.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Al N2 -","- C22 H21 Al N2 -","- C176 H168 Al8 N16 -","8","1","","Cortright, Sarah B.; Coalter, Joseph N.; Pink, Maren; Johnston, Jeffrey N.","A Remarkably Facile Zirconium(IV) → Aluminum(III) β-Diketiminate Transmetalation That Also Results in a More Active Olefin Polymerization Catalyst upon Activation","Organometallics","2004","23","25","5885","5888","10.1021/om049364g","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061079","9.3081","0.0004","17.561","0.001","18.0992","0.0007","90","","90","","90","","2958.5","0.2","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl2 Ru2 Se2 -","- C26 H44 Cl2 Ru2 Se2 -","- C104 H176 Cl8 Ru8 Se8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061135","15.87","0.0003","18.994","0.0003","32.514","0.0008","90","","90","","90","","9800.9","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H67 N O P2 Ru -","- C54 H67 N O P2 Ru -","- C432 H536 N8 O8 P16 Ru8 -","8","1","","Lo, Yih-Hsing; Hsu, Sheng-Cheng; Huang, Shou-Ling; Lin, Ying-Chih; Liu, Yi-Hong; Wang, Yu","Preparation of Ruthenium Azirinyl Complexes and Reversed Regiospecificity of the Carbonyl Insertion Reaction","Organometallics","2004","23","25","5924","5933","10.1021/om049528t","","","","","","","0.0711","","","0.1785","","","","","","","","","","","has coordinates","209965","2020-10-21","18:00:00",""
"4061204","9.1234","0.0008","15.8433","0.0009","20.255","0.002","90","","90","","90","","2927.8","0.4","200","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Li2 O4 Se2 -","- C28 H40 Li2 O4 Se2 -","- C112 H160 Li8 O16 Se8 -","4","0.5","","Wallbank, Andrew I.; Brown, Martin J.; Nitschke, Christian; Corrigan, John F.","Biphenylene-4,4'-diselenolate as a Molecular Bridge: Preparation and Characterization of [PdCl(PnBu3)2Se-C6H4-C6H4-Se-PdCl(PnBu3)2]","Organometallics","2004","23","23","5648","5651","10.1021/om049721n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209938","2020-10-21","18:00:00",""
"4061284","16.937","0.001","16.8727","0.001","19.7224","0.0012","90","","90","","90","","5636.1","0.6","223","2","223","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C19 H36 F6 I N2 O2 P Ru S2 -","- C19 H36 F6 I N2 O2 P Ru S2 -","- C152 H288 F48 I8 N16 O16 P8 Ru8 S16 -","8","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates","133680","2020-10-21","18:00:00",""
"4061285","10.0476","0.0005","18.5151","0.0009","24.9301","0.0012","90","","90","","90","","4637.8","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H32 F6 N P Ru S2 -","- C19 H32 F6 N P Ru S2 -","- C152 H256 F48 N8 P8 Ru8 S16 -","8","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133680","2020-10-21","18:00:00",""
"4061413","9.0545","0.0001","15.0141","0.0002","29.1285","0.0003","90","","90","","90","","3959.88","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bisdimethylsulfoxide-bis(2-tolyl)platinum","cis-syn-Bisdimethylsulfoxide-bis(2-tolyl)platinum(II)","","- C18 H26 O2 Pt S2 -","- C18 H26 O2 Pt S2 -","- C144 H208 O16 Pt8 S16 -","8","1","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0745","0.0544","","","0.1166","0.1212","","","","","","1.447","","","","has coordinates","133898","2020-10-21","18:00:00",""
"4061435","17.8889","0.0003","16.9945","0.0003","22.0581","0.0005","90","","90","","90","","6705.9","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H21 O7 Os3 P2 S -","- C34 H21 O7 Os3 P2 S -","- C272 H168 O56 Os24 P16 S8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050110k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061481","14.9688","0.0007","19.8758","0.0011","17.3339","0.001","90","","90","","90","","5157.1","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 B Cl2 O Ti -","- C27 H35 B Cl2 O Ti -","- C216 H280 B8 Cl16 O8 Ti8 -","8","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061562","24.974","0.005","18.245","0.004","25.181","0.005","90","","90","","90","","11474","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H51 B F24 P3 Rh -","- C55 H51 B F24 P3 Rh -","- C440 H408 B8 F192 P24 Rh8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061595","11.311","0.003","25.042","0.004","45.647","0.003","90","","90","","90","","12930","4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H93 B Fe N2 O0 P4 -","- C69 H93 B Fe N2 P4 -","- C552 H744 B8 Fe8 N16 P32 -","8","1","","Venâncio, Ana I. F.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Allenylidene Iron(II) Complexes and Their Deprotonation, Nucleophilic Addition Reactions and Cathodic Protonation toward Alkynyl Derivatives, a Chemical and Electrochemistry Study","Organometallics","2005","24","19","4654","4665","10.1021/om050408a","","","","","","","","","","","","","","","","","","","","","has coordinates","133619","2020-10-21","18:00:00",""
"4061669","13.352","0.002","19.546","0.003","16.723","0.002","90","","90","","90","","4364.2","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Al F12 N2 O3 -","- C15 H21 Al F12 N2 O3 -","- C120 H168 Al8 F96 N16 O24 -","8","1","","Amgoune Abderramane; Lavanant Laurent; Thomas Christophe; Chi Yun; Welter Richard; Dagorne Samuel; Carpentier Jean-Francois","An aluminum complex supported by a fluorous diamino-dialkoxide ligand for the highly productive ring opening polymerization of e-caprolactone","Organometallics","2005","","","","","10.1021/om050512s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061682","13.0029","0.0006","24.801","0.0011","35.8438","0.0016","90","","90","","90","","11559.1","0.9","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44.5 N2.5 P Ru -","- C30 H44.5 N2.5 P Ru -","- C480 H712 N40 P16 Ru16 -","16","2","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061696","11.156","0.002","15.78","0.003","30.671","0.006","90","","90","","90","","5399.7","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H46 P2 Pd -","- C25 H46 P2 Pd -","- C200 H368 P16 Pd8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0505561","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061727","9.2322","0.0001","16.1665","0.0002","30.086","0.0005","90","","90","","90","","4490.41","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H37 N O4 Ti -","- C21 H37 N O4 Ti -","- C168 H296 N8 O32 Ti8 -","8","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061728","25.9133","0.0002","21.7844","0.0001","23.7752","0.0002","90","","90","","90","","13421.2","0.17","120","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C65 H104 N4 O8 Zr2 -","- C65 H104 N4 O8 Zr2 -","- C520 H832 N32 O64 Zr16 -","8","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061734","14.847","0.002","14.354","0.002","16.395","0.003","90","","90","","90","","3493.9","0.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 B7 Fe2 O6 S -","- C9 H13 B7 Fe2 O6 S -","- C72 H104 B56 Fe16 O48 S8 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061749","14.685","0.0001","18.1332","0.0001","17.2624","0.0001","90","","90","","90","","4596.74","0.05","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 La -","- C18 H39 Al2 La -","- C144 H312 Al16 La8 -","8","1","","Dietrich, M. H.; Zapilko, C.; Herdtweck, E.; Anwander, R.","Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry: Efficient Access to Half-Sandwich Hydrocarbyl Complexes","Organometallics","2005","24","23","5767","5771","10.1021/om0506163","","","0.71073","MoKα","","0.0317","0.0222","","","0.0504","0.0537","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061773","12.409","0.0005","17.369","0.001","28.447","0.0015","90","","90","","90","","6131.2","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 Ir N2 O2 -","- C37 H31 Ir N2 O2 -","- C296 H248 Ir8 N16 O16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061792","16.93","0.003","11.47","0.002","33.827","0.007","90","","90","","90","","6569","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H52 B10 Na2 O4 -","- C23 H52 B10 Na2 O4 -","- C184 H416 B80 Na16 O32 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061865","16.0948","0.0011","14.5096","0.001","20.7994","0.0015","90","","90","","90","","4857.3","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl2 I N2 O Rh -","- C21 H26 Cl2 I N2 O Rh -","- C168 H208 Cl16 I8 N16 O8 Rh8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061886","10.2801","0.0001","18.2507","0.0001","32.1378","0.0003","90","","90","","90","","6029.66","0.09","150","","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H35 Cl Fe N O2 P Pd -","- C34 H35 Cl Fe N O2 P Pd -","- C272 H280 Cl8 Fe8 N8 O16 P8 Pd8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062016","15.5864","0.0007","16.2149","0.0007","23.5128","0.0011","90","","90","","90","","5942.4","0.5","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 Cl2 N4 Ti -","- C32 H30 Cl2 N4 Ti -","- C256 H240 Cl16 N32 Ti8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062020","18.886","0.004","12.885","0.003","26.254","0.005","90","","90","","90","","6389","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N O2 S8 Sb -","- C26 H30 N O2 S8 Sb -","- C208 H240 N8 O16 S64 Sb8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062032","11.5205","0.0011","24.491","0.002","31.73","0.003","90","","90","","90","","8952.7","1.5","103","2","103","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C44 H46 B2 Cl2 F8 N Ni P3 -","- C44 H46 B2 Cl2 F8 N Ni P3 -","- C352 H368 B16 Cl16 F64 N8 Ni8 P24 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062094","9.8013","0.0002","17.6699","0.0004","36.0172","0.0009","90","","90","","90","","6237.7","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H56 Li2 N4 P2 -","- C24 H56 Li2 N4 P2 -","- C192 H448 Li16 N32 P16 -","8","1","","Bauer, Tillmann; Schulz, Stephan; Nieger, Martin","Bis(alkylamino)phosphanes - Deprotonation Reactions and reactivity of t-BuP(NH-tBu)2 toward Group 13 Compounds","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062095","12.8303","0.0002","16.7407","0.0003","18.6533","0.0004","90","","90","","90","","4006.51","0.13","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H37 Al N3 P -","- C15 H37 Al N3 P -","- C120 H296 Al8 N24 P8 -","8","1","","Bauer, Tillmann; Schulz, Stephan; Nieger, Martin","Bis(alkylamino)phosphanes - Deprotonation Reactions and reactivity of t-BuP(NH-tBu)2 toward Group 13 Compounds","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062161","18.1341","0.001","20.0259","0.0011","23.747","0.0013","90","","90","","90","","8623.8","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[2,6-Mes2C6H3Ga(Cl)(u-OH)]2","","","- C48 H52 Cl2 Ga2 O2 -","- C48 H52 Cl2 Ga2 O2 -","- C384 H416 Cl16 Ga16 O16 -","8","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062285","18.916","0.003","19.462","0.002","34.126","0.005","90","0.001","90","0.001","90","0.001","12563","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 F2 N Si3 -","- C30 H43 F2 N Si3 -","- C480 H688 F32 N16 Si48 -","16","2","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062288","11.1825","0.0011","18.9678","0.0019","17.701","0.0017","90","","90","","90","","3754.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H32 F2 Si -","- C19 H32 F2 Si -","- C152 H256 F16 Si8 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062295","14.915","0.002","17.358","0.002","18.286","0.002","90","","90","","90","","4734.2","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 Li N4 Ni -","- C19 H45 Li N4 Ni -","- C152 H360 Li8 N32 Ni8 -","8","1","","Alberti, Davide; Goddard, Richard; Rufińska, Anna; Pörschke, Klaus-Richard","π-Allyl Nickelate(II) and Palladate(II) Complexes","Organometallics","2003","22","20","4025","4029","10.1021/om030448j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192070","2020-10-21","18:00:00",""
"4062303","14.1633","0.0011","14.764","0.0011","18.7081","0.0014","90","","90","","90","","3912","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bromodicarbonyliridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyclooctadien","","","- C19 H23 Br Ir2 O2 -","- C19 H23 Br Ir2 O2 -","- C152 H184 Br8 Ir16 O16 -","8","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0366","","","0.0886","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062304","14.2533","0.0006","14.6197","0.0006","21.3585","0.0008","90","","90","","90","","4450.7","0.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dicarbonyl(2,6-dimethylphenyl)iridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-c","","","- C26 H30 Ir2 O2 -","- C26 H30 Ir2 O2 -","- C208 H240 Ir16 O16 -","8","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0232","","","0.0617","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062320","11.532","0.002","23.943","0.005","25.042","0.005","90","","90","","90","","6914","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pt -","- C42 H35 F P2 Pt -","- C336 H280 F8 P16 Pt8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062350","8.7633","0.0006","7.8939","0.0006","38.657","0.003","90","","90","","90","","2674.2","0.3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 B N4 Na O2 -","- C12 H15 B N Na O2 -","- C96 H120 B8 N8 Na8 O16 -","8","1","","Ramírez-López, Pedro; Sierra, Miguel A.; Gómez-Gallego, Mar; Mancheño, María José; Gornitzka, Heinz","New Reactivity Modes of Chromium(0) Fischer Carbene Complexes: Unprecedented Insertion of a Carbene Ligand into an Active B-H Bond","Organometallics","2003","22","24","5092","5099","10.1021/om034010v","","","","","","","","","","","","","","","","","","","","","has coordinates","192156","2020-10-21","18:00:00",""
"4062351","17.173","0.004","17.134","0.004","17.322","0.004","90","","90","","90","","5097","2","220","2","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl2 Fe P2 Zn -","- C22 H36 Cl2 Fe P2 Zn -","- C176 H288 Cl16 Fe8 P16 Zn8 -","8","1","","Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.","Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)","Organometallics","2003","22","24","5027","5032","10.1021/om0340138","","","","","","","","","","","","","","","","","","","","","has coordinates","192154","2020-10-21","18:00:00",""
"4062361","20.06","0.009","14.878","0.003","13.278","0.002","90","","90","","90","","3963","2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O4 Sn -","- C22 H18 N2 O4 Sn -","- C176 H144 N16 O32 Sn8 -","8","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062362","17.827","0.008","38.485","0.007","15.181","0.003","90","","90","","90","","10415","5","173.2","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N2 O4 Sn -","- C28 H30 N2 O4 Sn -","- C448 H480 N32 O64 Sn16 -","16","2","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062380","17.3441","0.0002","13.4557","0.0001","18.4594","0.0002","90","","90","","90","","4308","0.08","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H10 F6 N6 O2 Ru -","- C20 H10 F6 N6 O2 Ru -","- C160 H80 F48 N48 O16 Ru8 -","8","1","","Wu, Pei-Chi; Yu, Jen-Kan; Song, Yi-Hwa; Chi, Yun; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and Characterization of Metal Complexes Possessing the 5-(2-Pyridyl) Pyrazolate Ligands: The Observation of Remarkable Osmium-Induced Blue Phosphorescence in Solution at Room Temperature","Organometallics","2003","22","24","4938","4946","10.1021/om034037e","","","","","","","","","","","","","","","","","","","","","has coordinates","192142","2020-10-21","18:00:00",""
"4062454","10.716","0.0003","15.3055","0.0004","24.9766","0.0005","90","","90","","90","","4096.51","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[{Ti(NtBu)(C7H12N3)2}2]","","","- C36 H66 N14 Ti2 -","- C36 H66 N14 Ti2 -","- C144 H264 N56 Ti8 -","4","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062463","18.832","0.0002","15.717","0.0001","31.374","0.0004","90","","90","","90","","9286.16","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cl F5 P2 Pt -","- C48 H56 Cl F5 P2 Pt -","- C384 H448 Cl8 F40 P16 Pt8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062499","17.58","0.0006","28.504","0.0014","18.3953","0.0008","90","","90","","90","","9217.9","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C88 H124 Ge4 Te6 -","- C88 H124 Ge4 Te6 -","- C352 H496 Ge16 Te24 -","4","0.5","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates","218190","2020-10-21","18:00:00",""
"4062512","17.789","0.017","17.802","0.017","25.81","0.03","90","","90","","90","","8175","14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H72 N4 P2 Zr -","- C32 H72 N4 P2 Zr -","- C256 H576 N32 P16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062548","17.2959","0.0008","21.9714","0.001","31.4784","0.0015","90","","90","","90","","11962.3","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(2,6-Mes2C6H3)2Al]+[B(C6F5)4]-","","","- C72 H50 Al B F20 -","- C72 H50 Al B F20 -","- C576 H400 Al8 B8 F160 -","8","1","","Jackie D. Young; Masood A. Khan; Rudolf J. Wehmschulte","Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound","Organometallics","2004","","","","","10.1021/om0341707","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062589","8.506","0.01","11.121","0.013","23.51","0.03","90","","90","","90","","2224","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H16 N3 O3 P -","- C9 H16 N3 O3 P -","- C72 H128 N24 O24 P8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062592","11.836","0.013","13.693","0.014","22.41","0.02","90","","90","","90","","3633","7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cr N3 O7 P -","- C14 H16 Cr N3 O7 P -","- C112 H128 Cr8 N24 O56 P8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062594","14.343","0.002","16.922","0.002","18.654","0.003","90","","90","","90","","4527.6","1.1","293","","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 Br1.46 Cl0.54 N2 O Si2 U -","- C12 H30 Br1.466 Cl0.534 N2 O Si2 U -","- C96 H240 Br11.728 Cl4.272 N16 O8 Si16 U8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343115","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062598","12.1527","0.0003","26.1821","0.0006","29.1065","0.0006","90","","90","","90","","9261.2","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H37 Cl N2 Pd -","- C26 H37 Cl N2 Pd -","- C416 H592 Cl16 N32 Pd16 -","16","2","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062605","10.6","0.002","12.176","0.003","18.977","0.004","90","","90","","90","","2449.2","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Ge4 O2 -","- C18 H36 Ge4 O2 -","- C72 H144 Ge16 O8 -","4","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062607","9.297","0.0019","11.214","0.002","19.78","0.004","90","","90","","90","","2062.2","0.7","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 O2 Si4 -","- C16 H28 O2 Si4 -","- C64 H112 O8 Si16 -","4","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062608","10.628","0.002","11.837","0.002","30.335","0.006","90","","90","","90","","3816.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H28 O2 Si3 -","- C15 H28 O2 Si3 -","- C120 H224 O16 Si24 -","8","1","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062628","15.181","0.004","14.173","0.004","35.52","0.009","90","","90","","90","","7642","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Cl2 N2 Ni P2 Ru2 S2 -","- C31 H38 Cl2 N2 Ni P2 Ru2 S2 -","- C248 H304 Cl16 N16 Ni8 P16 Ru16 S16 -","8","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2004","","","","","10.1021/om034373v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062629","14.4215","0.0006","17.3662","0.0007","18.5927","0.0008","90","","90","","90","","4656.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B N6 O Ru S2 -","- C22 H19 B N6 O Ru S2 -","- C176 H152 B8 N48 O8 Ru8 S16 -","8","1","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reaction of Diaryldisulfides with RuTp(COD)Cl in N,N'-Dimethylformamide - Formation of 2-Arylmercapto-arylmercaptan Complexes","Organometallics","2004","","","","","10.1021/om034375f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062651","20.389","0.004","35.761","0.007","15.244","0.003","90","","90","","90","","11115","4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H80 K2 O12 Si5 -","- C39 H80 K2 O12 Si5 -","- C312 H640 K16 O96 Si40 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062657","12.167","0.001","15.956","0.002","18.452","0.002","90","","90","","90","","3582.2","0.7","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 I N2 Pt -","- C18 H19 I N2 Pt -","- C144 H152 I8 N16 Pt8 -","8","1","","Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.","Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).","Organometallics","2004","","","","","10.1021/om040023c","","","","","","","","","","","","","","","","","","","","","has coordinates","208199","2020-10-21","18:00:00",""
"4062669","14.185","0.001","20.369","0.002","21.522","0.002","90","","90","","90","","6218.4","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Cl3 N O10 Os3 Sn -","- C19 H22 Cl3 N O10 Os3 Sn -","- C152 H176 Cl24 N8 O80 Os24 Sn8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062683","17.0553","0.0004","20.1437","0.0006","19.2039","0.0006","90","","90","","90","","6597.6","0.3","150","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ru(xantsil)(CO)(PMe3)3","","","- C29 H51 O2 P3 Ru Si2 -","- C29 H51 O2 P3 Ru Si2 -","- C232 H408 O16 P24 Ru8 Si16 -","8","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049379e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062715","16.5507","0.0016","18.1645","0.0015","20.1236","0.0018","90","","90","","90","","6049.9","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 Ca N4 -","- C26 H50 Ca N4 -","- C208 H400 Ca8 N32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062737","17.588","0.006","17.659","0.008","15.05","0.006","90","","90","","90","","4674","2","293.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Fe4 -","- C27.9 Fe4 -","- C223.2 Fe32 -","8","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062848","16.534","0.0001","19.222","0.0001","27.539","0.0002","90","","90","","90","","8752.35","0.09","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H42 Cd F10 N4 O2 Pt -","- C42 H42 Cd F10 N4 O2 Pt -","- C336 H336 Cd8 F80 N32 O16 Pt8 -","8","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062876","17.229","0.0006","16.447","0.0005","21.3131","0.0007","90","","90","","90","","6039.4","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H47 Cl Fe P2 Pd -","- C28 H47 Cl Fe P2 Pd -","- C224 H376 Cl8 Fe8 P16 Pd8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0497285","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062879","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.6","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C28 H29 Cl O Ru -","- C224 H232 Cl8 O8 Ru8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049732g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062890","9.543","0.0015","11.733","0.0016","17.563","0.003","90","","90","","90","","1966.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Fe2 O2 -","- C26 H20 Fe2 O2 -","- C104 H80 Fe8 O8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062896","8.753","0.002","18.251","0.004","25.778","0.005","90","","90","","90","","4118.1","1.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H30 F N Zr -","- C25 H30 F N Zr -","- C200 H240 F8 N8 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049745u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062950","10.1345","0.0006","17.4948","0.0004","19.2433","0.0006","90","0.001","90","0.001","90","0.001","3411.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 N2 O4 -","- C48 H32 N2 O4 -","- C192 H128 N8 O16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062961","17.935","0.004","19.412","0.004","29.048","0.006","90","","90","","90","","10113","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H39 B F24 Fe O2 -","- C50 H39 B F24 Fe O2 -","- C400 H312 B8 F192 Fe8 O16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063035","22.4895","0.0005","17.4563","0.0004","24.1544","0.0006","90","","90","","90","","9482.6","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H35 B Cl2 F20 N2 Zr -","- C47 H35 B Cl2 F20 N2 Zr -","- C376 H280 B8 Cl16 F160 N16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063068","11.068","0.007","15.049","0.009","26.599","0.016","90","","90","","90","","4430","5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N3 Yb -","- C21 H34 N3 Yb -","- C168 H272 N24 Yb8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063069","11.058","0.005","15.086","0.007","26.498","0.012","90","","90","","90","","4420","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Er N3 -","- C21 H34 Er N3 -","- C168 H272 Er8 N24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063070","11.145","0.004","15.116","0.006","26.522","0.01","90","","90","","90","","4468","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Dy N3 -","- C21 H34 Dy N3 -","- C168 H272 Dy8 N24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063111","17.949","0.007","8.668","0.002","20.85","0.004","90","","90","","90","","3243.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Fe N2 Si2 -","- C32 H52 Fe N2 Si2 -","- C128 H208 Fe4 N8 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063112","20.706","0.004","18.326","0.003","8.849","0.004","90","","90","","90","","3357.8","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Co N2 Si2 -","- C32 H52 Co N2 Si2 -","- C128 H208 Co4 N8 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063113","20.69","0.003","18.295","0.002","8.856","0.001","90","","90","","90","","3352.2","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 N2 Ni Si2 -","- C32 H52 N2 Ni Si2 -","- C128 H208 N8 Ni4 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","0.058","","","0.1225","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063270","16.7551","0.0007","21.3806","0.0005","16.9183","0.0004","90","","90","","90","","6060.7","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Ti -","- C40 H36 Ti -","- C320 H288 Ti8 -","8","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0724","0.0454","","","0.1176","0.1282","","","","","","0.996","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063313","19.9767","0.0002","19.9099","0.0002","25.849","0.0002","90","","90","","90","","10281","0.2","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H52 N2 O2 P3 Re -","- C61 H52 N2 O2 P3 Re -","- C488 H416 N16 O16 P24 Re8 -","8","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0935","0.0426","","","0.0857","0.1176","","","","","","1.157","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063368","9.6666","0.0017","15.015","0.003","17.43","0.003","90","","90","","90","","2529.9","0.8","113.1","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H7 F5 O4 -","- C13 H7 F5 O4 -","- C104 H56 F40 O32 -","8","1","","Kashiwabara, Taigo; Tanaka, Masato","Arylglyoxylrhodium Complexes, Their Thermolysis, and Attempted Generation by Carbonylation of an Aroylrhodium Complex","Organometallics","2011","30","2","239","244","10.1021/om101079e","","","0.7107","MoKα","","","0.0514","","","","0.0665","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063369","11.3342","0.001","17.516","0.0016","32.797","0.003","90","","90","","90","","6511.2","1","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H27 N O -","- C17 H27 N O -","- C272 H432 N16 O16 -","16","2","","Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.","Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization","Organometallics","2011","30","2","251","262","10.1021/om1008742","","","0.71073","MoKα","","0.0658","0.0546","","","0.1423","0.1583","","","","","","1.116","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063390","21.901","0.005","20.48","0.005","24.603","0.006","90","","90","","90","","11035","5","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H116 B60 Cl2 Ru6 Se12 -","- C53 H116 B60 Cl2 Ru6 Se12 -","- C212 H464 B240 Cl8 Ru24 Se48 -","4","0.5","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.0505","0.0389","","","0.0982","0.1027","","","","","","1.087","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063461","12.0093","0.0005","17.815","0.003","18.282","0.004","90","","90","","90","","3911.4","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BzRu(Cl)PhNacNac","","","- C23 H23 Cl N2 Ru -","- C23 H23 Cl N2 Ru -","- C184 H184 Cl8 N16 Ru8 -","8","1","","Phillips, Andrew D.; Zava, Olivier; Scopelitti, Rosario; Nazarov, Alexey A.; Dyson, Paul J.","Rational Design of Highly Cytotoxic η6-Arene β-Diketiminato−Ruthenium Complexes","Organometallics","2010","29","2","417","","10.1021/om900991b","","","0.71073","MoKα","","0.0425","0.0251","","","0.0495","0.0575","","","","","","1.176","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063473","15.7","0.004","18.927","0.005","21.459","0.005","90","","90","","90","","6377","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H33 Cl2 N2 P Pd -","- C35 H33 Cl2 N2 P Pd -","- C280 H264 Cl16 N16 P8 Pd8 -","8","1","","Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man","Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes","Organometallics","2010","29","2","463","472","10.1021/om9009203","","x-ray","0.71073","MoKα","","0.2059","0.0622","","","0.1286","0.1767","","","","","","0.88","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063523","11.5966","0.0005","15.1252","0.0007","20.7926","0.0011","90","","90","","90","","3647","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 F3 N2 O3 S -","- C16 H23 F3 N2 O3 S -","- C128 H184 F24 N16 O24 S8 -","8","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia","Insertion of Isocyanides, Isothiocyanates, and Carbon Monoxide into the Pd‒C Bond of Cyclopalladated Complexes Containing Primary Arylalkylamines of Biological and Pharmaceutical Significance. Synthesis of Lactams and Cyclic Amidinium Salts Related to the Isoquinoline, Benzo[g]isoquinoline, and β-Carboline Nuclei","Organometallics","2009","28","2","448","464","10.1021/om800951k","","","0.71073","MoKα","","0.0391","0.0355","","","0.0861","0.0886","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063652","21.7445","0.0015","16.7738","0.0019","21.9364","0.0019","90","","90","","90","","8001","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H26 Cl2 O9 Os3 P2 -","- C40 H25 Cl2 O9 Os3 P2 -","- C320 H200 Cl16 O72 Os24 P16 -","8","1","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.0697","0.0388","","","0.0748","0.0805","","","","","","1.028","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063655","11.884","0.002","17.465","0.003","30.543","0.006","90","","90","","90","","6339","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.5 H20 Cl N O7 Ru3 -","- C35.5 H20 Cl N O7 Ru3 -","- C284 H160 Cl8 N8 O56 Ru24 -","8","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.7107","MoKα","","0.0507","0.0466","","","0.0852","0.0868","","","","","","1.204","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063699","7.8078","0.0002","18.8536","0.0005","27.1182","0.0006","90","","90","","90","","3991.94","0.17","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(H)(Cl)(CO)","","","- C13 H8 Cl F12 Ir O P2 -","- C13 H8 Cl F12 Ir O P2 -","- C104 H64 Cl8 F96 Ir8 O8 P16 -","8","1","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0402","0.0277","","","0.0494","0.0527","","","","","","1.128","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063704","14.2823","0.0002","18.7051","0.0002","19.6477","0.0002","90","","90","","90","","5248.92","0.11","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(NBU)","","","- C21 H23 F12 Ir N2 P2 -","- C21 H23 F12 Ir N2 P2 -","- C168 H184 F96 Ir8 N16 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0568","0.0368","","","0.0756","0.081","","","","","","1.108","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063705","14.8158","0.0009","9.8214","0.0005","27.224","0.0015","90","","90","","90","","3961.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(CO)2","","","- C14 H7 F12 Ir O2 P2 -","- C14 H7 F12 Ir O2 P2 -","- C112 H56 F96 Ir8 O16 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0493","0.0293","","","0.061","0.0672","","","","","","1.017","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063710","12.992","0.0004","18.4778","0.0005","26.8556","0.0008","90","","90","","90","","6447.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(COD).2benzene","","","- C32 H31 F12 Ir P2 -","- C32 H31 F12 Ir P2 -","- C256 H248 F96 Ir8 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0754","0.0323","","","0.0607","0.0734","","","","","","0.996","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063713","16.0414","0.0003","15.3728","0.0003","16.6881","0.0003","90","","90","","90","","4115.31","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(CO)(I)(CH3)","","","- C14 H10 F12 I Ir O P2 -","- C14 H10 F12 I Ir O P2 -","- C112 H80 F96 I8 Ir8 O8 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.036","0.0237","","","0.0469","0.0509","","","","","","1.014","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063725","16.3082","0.0011","24.8178","0.0017","25.2409","0.0015","90","","90","","90","","10215.8","1.2","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H39 Br4 Cl4 Hg3 Ir O2 P2 -","- C46 H39 Br4 Cl4 Hg3 Ir O2 P2 -","- C368 H312 Br32 Cl32 Hg24 Ir8 O16 P16 -","8","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.2152","0.0766","","","0.1732","0.2199","","","","","","0.842","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063751","17.536","0.004","14.112","0.003","18.461","0.004","90","","90","","90","","4568.5","1.7","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Mo N2 O -","- C23 H36 Mo N2 O -","- C184 H288 Mo8 N16 O8 -","8","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0995","0.041","","","0.0778","0.0949","","","","","","0.985","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063753","15.4028","0.0002","17.6693","0.0002","21.523","0.0003","90","","90","","90","","5857.63","0.13","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.5 H31 Cl Cr N2 O4 P2 -","- C28.5 H31 Cl Cr N2 O4 P2 -","- C228 H248 Cl8 Cr8 N16 O32 P16 -","8","1","","Dulai, Arminderjit; McMullin, Claire L.; Tenza, Kenny; Wass, Duncan F.","N,N′-Bis(diphenylphosphino)diaminophenylphosphine Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions","Organometallics","2011","30","5","935","","10.1021/om100912y","","x-ray","0.71074","MoKα","","0.0625","0.0404","","","0.091","0.1032","","","","","","1.028","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063759","12.202","0.002","10.882","0.002","29.912","0.006","90","","90","","90","","3971.8","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O3 P V -","- C20 H24 N2 O3 P V -","- C160 H192 N16 O24 P8 V8 -","8","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0517","0.0492","","","0.1071","0.108","","","","","","1.21","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063794","16.3424","0.0002","15.5018","0.0002","21.9422","0.0003","90","","90","","90","","5558.76","0.12","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H39 Fe P -","- C34 H39 Fe P -","- C272 H312 Fe8 P8 -","8","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0778","0.0481","","","0.1184","0.1324","","","","","","1.034","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063822","8.5493","0.001","17.5673","0.0016","35.282","0.003","90","","90","","90","","5298.9","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H39 Cr N2 -","- C30 H39 Cr N2 -","- C240 H312 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0529","0.0369","","","0.0895","0.0968","","","","","","1.035","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063823","10.661","0.0011","19.481","0.0018","24.251","0.003","90","","90","","90","","5036.6","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Cr N2 -","- C29 H37 Cr N2 -","- C232 H296 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.052","0.0361","","","0.0929","0.1038","","","","","","1.036","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063827","10.5875","0.0018","19.271","0.003","24.113","0.004","90","","90","","90","","4919.8","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H34 Cl Cr N2 -","- C28 H34 Cl Cr N2 -","- C224 H272 Cl8 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0376","0.03","","","0.0772","0.0833","","","","","","1.065","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063831","18.837","0.003","12.872","0.002","38.991","0.006","90","","90","","90","","9454","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 N2 O Si3 Y -","- C42 H77 N2 O Si3 Y -","- C336 H616 N16 O8 Si24 Y8 -","8","1","","Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang","Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands","Organometallics","2011","30","1","160","","10.1021/om100971d","","","0.71073","MoKα","","0.087","0.0693","","","0.1743","0.1816","","","","","","1.164","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063839","8.497","0.0017","26.976","0.005","41.646","0.008","90","","90","","90","","9546","3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ge2Si3Mes6","","- C54 H66 Ge2 Si3 -","- C54 H66 Ge2 Si3 -","- C432 H528 Ge16 Si24 -","8","1","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.0804","0.0617","","","0.1314","0.1417","","","","","","1.13","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063840","8.551","0.0017","27.169","0.005","42.266","0.009","90","","90","","90","","9819","3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Sn2Si3Mes6","","- C54 H66 Si3 Sn2 -","- C54 H66 Si3 Sn2 -","- C432 H528 Si24 Sn16 -","8","1","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.1288","0.1035","","","0.1722","0.1852","","","","","","1.138","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063847","11.3349","0.0003","14.784","0.0004","15.3145","0.0004","90","","90","","90","","2566.33","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl Ir O3 P2 -","- C25 H36 Cl Ir O3 P2 -","- C100 H144 Cl4 Ir4 O12 P8 -","4","0.5","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0419","0.038","","","0.0783","0.0807","","","","","","1.173","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063907","14.0159","0.0001","17.3425","0.0002","23.5717","0.0002","90","","90","","90","","5729.59","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N2 O8 P Ru3 -","- C26 H19 N2 O8 P Ru3 -","- C208 H152 N16 O64 P8 Ru24 -","8","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique","Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt","Organometallics","2011","30","4","826","","10.1021/om101021s","","","1.54184","CuKα","","0.0246","0.0242","","","0.0631","0.0634","","","","","","1.096","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063921","16.5644","0.001","17.784","0.001","25.9283","0.0015","90","","90","","90","","7638","0.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Al Cl4 Mo O3 P2 -","- C34 H37 Al Cl4 Mo O3 P2 -","- C272 H296 Al8 Cl32 Mo8 O24 P16 -","8","1","","Rajagopalan, Rakesh A.; Sterenberg, Brian T.","Formation and Reactivity of a Transient Cationic Alkyl Phosphinidene Complex","Organometallics","2011","30","11","2933","","10.1021/om101025c","","","0.71073","MoKα","","0.0309","0.027","","","0.0714","0.0752","","","","","","1.043","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063947","13.7923","0.0004","21.4354","0.0008","24.0185","0.001","90","","90","","90","","7100.9","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Au B F4 N4 -","- C35 H44 Au B F4 N4 -","- C280 H352 Au8 B8 F32 N32 -","8","1","","Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Bertolasi, Valerio","Synthesis and Mechanism of Formation of Novel NHC−NAC Bis-Carbene Complexes of Gold(I)","Organometallics","2011","30","4","875","","10.1021/om101057q","","","0.71073","MoKα","","0.0862","0.0448","","","0.0942","0.1051","","","","","","1.035","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064019","9.1044","0.0004","19.8146","0.0008","28.191","0.0011","90","","90","","90","","5085.7","0.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H24 B F3 N O4 P S -","- C25 H24 B F3 N O4 P S -","- C200 H192 B8 F24 N8 O32 P8 S8 -","8","1","","Marwitz, Adam J. V.; Jenkins, Jesse T.; Zakharov, Lev N.; Liu, Shih-Yuan","Cationic 1,2-Azaborine Adducts of Trimethylphosphine, Triphenylphosphine oxide, and Pyridine-N-oxide.","Organometallics","2011","30","1","52","54","10.1021/om101083p","","","0.71073","MoKα","","0.055","0.045","","","0.1094","0.1169","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064021","14.218","0.007","15.612","0.008","19.372","0.01","90","","90","","90","","4300","4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Cl2 N2 S Ta -","- C22 H25 Cl2 N2 S Ta -","- C176 H200 Cl16 N16 S8 Ta8 -","8","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety","Organometallics","2011","30","6","1551","","10.1021/om101086c","","","0.71073","MoKα","","0.126","0.0595","","","0.1263","0.1611","","","","","","0.972","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064085","19.7902","0.001","16.1809","0.0007","23.1204","0.0008","90","","90","","90","","7403.7","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N3 Ru2 -","- C37 H55 N3 Ru2 -","- C296 H440 N24 Ru16 -","8","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.054","0.0365","","","0.0919","0.0983","","","","","","0.963","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064107","16.8303","0.0001","13.6258","0.0001","34.772","0.0003","90","","90","","90","","7974.13","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H14 N4 O18 Ru6 -","- C28 H14 N4 O18 Ru6 -","- C224 H112 N32 O144 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.5418","CuKα","","0.0409","0.0342","","","0.0938","0.0978","","","","","","1.055","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064124","16.3458","0.0002","16.3996","0.0002","34.2389","0.0005","90","","90","","90","","9178.2","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H62 Cl4 N2 Ru S -","- C47 H62 Cl4 N2 Ru S -","- C376 H496 Cl32 N16 Ru8 S8 -","8","1","","Aharoni, Anna; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes","Organometallics","2011","30","6","1607","","10.1021/om1011402","","","0.71073","MoKα","","0.0855","0.0506","","","0.1224","0.1401","","","","","","1.042","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064131","12.3938","0.0007","18.4376","0.001","22.1958","0.0013","90","","90","","90","","5072","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 B Cl N4 Ru -","- C28 H30 B Cl N4 Ru -","- C224 H240 B8 Cl8 N32 Ru8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Cerquetella, Adele; Pettinari, Riccardo; Monari, Magda; Mac Leod, Tatiana C. O.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Coordination Chemistry of the (η6-p-Cymene)ruthenium(II) Fragment with Bis-, Tris-, and Tetrakis(pyrazol-1-yl)borate Ligands: Synthesis, Structural, Electrochemical, and Catalytic Diastereoselective Nitroaldol Reaction Studies","Organometallics","2011","30","6","1616","","10.1021/om101146q","","","0.71073","MoKα","","0.0442","0.0301","","","0.0757","0.083","","","","","","1.018","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064142","16.8737","0.0003","14.6964","0.0006","22.3909","0.0007","90","","90","","90","","5552.6","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H36 F6 N3 O P Ru -","- C25 H36 F6 N3 O P Ru -","- C200 H288 F48 N24 O8 P8 Ru8 -","8","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Mechanistic Investigation of the Hydrogenation of Ketones Catalyzed by a Ruthenium(II) Complex Featuring an N-Heterocyclic Carbene with a Tethered Primary Amine Donor: Evidence for an Inner Sphere Mechanism","Organometallics","2011","30","5","1236","","10.1021/om101152m","","","0.71073","MoKα","","0.1118","0.0568","","","0.1403","0.18","","","","","","1.038","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064171","12.1789","0.0002","14.3304","0.0002","27.4288","0.0005","90","","90","","90","","4787.11","0.14","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cp*Ti(MeDIPA){OC(O)N(NMe2)C(O)O}","","- C22 H38 N4 O4 Ti -","- C22 H38 N4 O4 Ti -","- C176 H304 N32 O32 Ti8 -","8","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0812","0.0549","","0.072","0.0558","0.0531","","","","","","1.1222","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064202","16.773","0.0005","17.4538","0.0005","25.4024","0.001","90","","90","","90","","7436.6","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H54 In P3 Pd -","- C36 H54 In P3 Pd -","- C288 H432 In8 P24 Pd8 -","8","1","","Derrah, Eric J.; Sircoglou, Marie; Mercy, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Miqueu, Karinne; Maron, Laurent; Bourissou, Didier","Original Transition Metal→Indium Interactions upon Coordination of a Triphosphine−Indane","Organometallics","2011","30","4","657","","10.1021/om1011769","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.1067","0.139","","","","","","0.895","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064290","13.1414","0.0009","18.0238","0.0013","18.1292","0.0013","90","","90","","90","","4294","0.5","208","2","208","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br F11 Ir O2 -","- C18 H15 Br F11 Ir O2 -","- C144 H120 Br8 F88 Ir8 O16 -","8","1","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","Unexpected Synthesis of a Perfluoroacyl Complex, Cp*Ir(CO)(COC6F11)Br, by Direct Fluoroalkylation of a CO Ligand, and Elimination of Perfluorocyclohexene by Activation of a γ-C−F Bond","Organometallics","2011","30","6","1744","","10.1021/om200019d","","","0.71073","MoKα","","0.0264","0.0212","","","0.0534","0.0571","","","","","","1.043","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064331","12.8071","0.0003","16.2825","0.0003","19.7307","0.0004","90","","90","","90","","4114.47","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl O2 P -","- C26 H20 Cl O2 P -","- C208 H160 Cl8 O16 P8 -","8","1","","Selent, Detlef; Franke, Robert; Kubis, Christoph; Spannenberg, Anke; Baumann, Wolfgang; Kreidler, Burkard; Börner, Armin","A New Diphosphite Promoting Highly Regioselective Rhodium-Catalyzed Hydroformylation","Organometallics","2011","30","17","4509","","10.1021/om2000508","","","0.71073","MoKα","","0.0415","0.0321","","","0.0865","0.0892","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064390","17.3751","0.0011","19.2388","0.0013","23.6101","0.0015","90","","90","","90","","7892.3","0.9","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl4 Fe O5 P2 -","- C42 H32 Cl4 Fe O5 P2 -","- C336 H256 Cl32 Fe8 O40 P16 -","8","1","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.0959","0.0462","","","0.0887","0.1068","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064411","17.1089","0.0007","18.8373","0.0006","23.2591","0.0009","90","","90","","90","","7496.1","0.5","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Cl N4 Ni -","- C42 H48 Cl N4 Ni -","- C336 H384 Cl8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.1085","0.0506","","","0.0936","0.1088","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064412","17.2771","0.0003","18.782","0.0003","23.4238","0.0005","90","","90","","90","","7601","0.2","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Br N4 Ni -","- C42 H48 Br N4 Ni -","- C336 H384 Br8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.1301","0.0594","","","0.13","0.1595","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064413","17.7237","0.0002","18.561","0.0002","23.7208","0.0004","90","","90","","90","","7803.42","0.18","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Cl0.13 I N4 Ni -","- C42 H48 Cl0.13 I N4 Ni -","- C336 H384 Cl1.04 I8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.0752","0.0425","","","0.0852","0.0944","","","","","","1.032","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064631","14.749","0.004","8.9958","0.0005","31.0271","0.0019","90","","90","","90","","4116.6","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Mo O P2 -","- C20 H28 Mo O P2 -","- C160 H224 Mo8 O8 P16 -","8","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71073","MoKα","","0.094","0.0685","","","0.1339","0.1417","","","","","","1.173","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064644","9.9609","0.0003","19.8662","0.0006","32.3238","0.001","90","","90","","90","","6396.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C66 H4 N2 O -","- C66 H4 N2 O -","- C528 H32 N16 O8 -","8","1","","Ramírez-Monroy, Armando; Swager, Timothy M.","Metal Chelates Based on Isoxazoline[60]fullerenes","Organometallics","2011","30","9","2464","","10.1021/om200238a","","","1.54178","CuKα","","0.0696","0.0524","","","0.1333","0.1459","","","","","","1.039","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064649","15.9497","0.0006","15.6097","0.0008","19.1905","0.0009","90","","90","","90","","4777.9","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22.77 H27.31 Cl2.23 Cr N2 O P -","- C22.77 H27.31 Cl2.23 Cr N2 O P -","- C182.16 H218.48 Cl17.84 Cr8 N16 O8 P8 -","8","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.1182","0.0681","","","0.1475","0.1628","","","","","","1.042","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064653","15.9451","0.0013","15.6017","0.0014","19.1856","0.0018","90","","90","","90","","4772.8","0.7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22.5 H26.5 Cl2.5 Cr N2 O P -","- C22.5 H26.5 Cl2.5 Cr N2 O P -","- C180 H212 Cl20 Cr8 N16 O8 P8 -","8","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","","0.71073","MoKα","","0.1409","0.1117","","","0.2388","0.255","","","","","","1.129","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064669","28.281","0.017","14.886","0.011","30.24","0.02","90","","90","","90","","12731","15","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 N5 O2 P Pt -","- C30 H30 F6 N5 O2 P Pt -","- C480 H480 F96 N80 O32 P16 Pt16 -","16","2","","Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.","Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand","Organometallics","2011","30","14","3897","","10.1021/om200253f","","","0.71073","MoKα","","0.1648","0.0573","","","0.1021","0.1315","","","","","","1.038","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064687","17.8331","0.0012","19.8924","0.0014","21.1648","0.0014","90","","90","","90","","7508.1","0.9","293","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl Ir N3 O2 -","- C40 H51 Cl Ir N3 O2 -","- C320 H408 Cl8 Ir8 N24 O16 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0474","0.0286","","","0.0615","0.0692","","","","","","1.008","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064720","13.5738","0.0006","19.363","0.0007","19.8907","0.0006","90","","90","","90","","5227.9","0.3","173.1","","173.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Cl3 P2 Ru Zr -","- C23 H33 Cl3 P2 Ru Zr -","- C184 H264 Cl24 P16 Ru8 Zr8 -","8","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0488","","","","0.1328","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064767","18.5135","0.0016","20.2977","0.0018","21.02","0.0018","90","","90","","90","","7898.9","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H64 Mg N2 O3 -","- C40 H64 Mg N2 O3 -","- C320 H512 Mg8 N16 O24 -","8","1","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.1424","0.0653","","","0.1765","0.2283","","","","","","1.004","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064803","18.607","0.006","22.826","0.006","17.401","0.005","90","","90","","90","","7391","4","200","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H42 P2 Pt S2 -","- C42 H42 P2 Pt S2 -","- C336 H336 P16 Pt8 S16 -","8","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.0284","","","","0.0795","","","","","","0.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064805","16.503","0.002","16.256","0.002","32.14","0.004","90","","90","","90","","8622.3","1.8","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H47 Cl P2 Pt S2 -","- C44.5 H47 Cl P2 Pt S2 -","- C356 H376 Cl8 P16 Pt8 S16 -","8","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71075","MoKα","","","0.051","","","","0.1569","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064853","23.7464","0.0013","7.0753","0.0005","29.415","0.002","90","","90","","90","","4942.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30.65 H21.3 Cl1.3 N2 O3 Ru -","- C30.65 H21.3 Cl1.3 N2 O3 Ru -","- C245.2 H170.4 Cl10.4 N16 O24 Ru8 -","8","1","","Blanck, Sebastian; Cruchter, Thomas; Vultur, Adina; Riedel, Radostan; Harms, Klaus; Herlyn, Meenhard; Meggers, Eric","Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors.","Organometallics","2011","30","17","4598","4606","10.1021/om200366r","","","0.71073","MoKα","","0.1461","0.053","","","0.0981","0.121","","","","","","0.848","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064938","13.542","0.0002","14.3778","0.0004","21.6766","0.0007","90","","90","","90","","4220.52","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 N O Os P2 -","- C17 H39 N O Os P2 -","- C136 H312 N8 O8 Os8 P16 -","8","1","","Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.","Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols","Organometallics","2011","30","13","3479","","10.1021/om200437n","","","0.71073","MoKα","","0.0722","0.0431","","","0.1004","0.116","","","","","","1.03","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064998","19.477","0.002","24.103","0.002","31.649","0.004","90","","90","","90","","14858","3","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C88 H83 Fe Mo P4 -","- C88 H83 Fe Mo P4 -","- C704 H664 Fe8 Mo8 P32 -","8","1","","Fitzgerald, Emma C.; Ladjarafi, Abdelkader; Brown, Neil J.; Collison, David; Costuas, Karine; Edge, Ruth; Halet, Jean-François; Justaud, Frédéric; Low, Paul J.; Meghezzi, Hacène; Roisnel, Thierry; Whiteley, Mark W.; Lapinte, Claude","Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6","Organometallics","2011","30","15","4180","","10.1021/om200488b","","x-ray","0.71073","MoKα","","0.1337","0.0896","","","0.2164","0.245","","","","","","1.093","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4065026","9.9525","0.0008","18.2899","0.0015","24.385","0.0019","90","","90","","90","","4438.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H40 B20 Ni P2 S2 -","- C28 H40 B20 Ni P2 S2 -","- C112 H160 B80 Ni4 P8 S8 -","4","0.5","","Hu, Ping; Yao, Zi-Jian; Wang, Jian-Qiang; Jin, Guo-Xin","Synthesis, Structure, and Olefin Polymerization Behavior of Nickel Complexes with Carborane [S,C] or [S,S] Ligands","Organometallics","2011","30","18","4935","","10.1021/om200516b","","","0.71073","MoKα","","0.0663","0.0587","","","0.1508","0.154","","","","","","1.24","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065056","12.4585","0.0002","16.9795","0.0002","24.1574","0.0003","90","","90","","90","","5110.23","0.12","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F6 P2 Ru -","- C27 H24 F6 P2 Ru -","- C216 H192 F48 P16 Ru8 -","8","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.0623","0.0378","","","0.0777","0.0892","","","","","","1.025","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065157","17.948","0.004","26.404","0.005","42.901","0.009","90","","90","","90","","20331","7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H86 N4 Si3 W -","- C41 H86 N4 Si3 W -","- C656 H1376 N64 Si48 W16 -","16","2","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.91","","","0.0674","0.0651","","0.1919","0.1861","","","","1.006","1.012","1.012","","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065164","18.145","0.006","15.033","0.005","19.006","0.006","90","","90","","90","","5184","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H39 Au Cl N O -","- C26 H39 Au Cl N O -","- C208 H312 Au8 Cl8 N8 O8 -","8","1","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.0331","0.0251","","","0.0658","0.0694","","","","","","1.156","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065235","13.4171","0.001","17.3604","0.0013","18.4117","0.0014","90","","90","","90","","4288.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20.93 H26 Cl2 N2 O3.07 Ru -","- C20.927 H26 Cl2 N2 O3.073 Ru -","- C167.416 H208 Cl16 N16 O24.584 Ru8 -","8","1","","Nieto, Ismael; Livings, Michelle S.; Sacci, John B.; Reuther, Lauren E.; Zeller, Matthias; Papish, Elizabeth T.","Transfer Hydrogenation in Water via a Ruthenium Catalyst with OH Groups near the Metal Center on a bipy Scaffold","Organometallics","2011","30","23","6339","","10.1021/om200638p","","","0.71073","MoKα","","0.0282","0.0238","","","0.057","0.0601","","","","","","1.051","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065236","13.3184","0.0014","17.9962","0.0019","18.417","0.002","90","","90","","90","","4414.2","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cl2 N2 O2 Ru -","- C22 H26 Cl2 N2 O2 Ru -","- C176 H208 Cl16 N16 O16 Ru8 -","8","1","","Nieto, Ismael; Livings, Michelle S.; Sacci, John B.; Reuther, Lauren E.; Zeller, Matthias; Papish, Elizabeth T.","Transfer Hydrogenation in Water via a Ruthenium Catalyst with OH Groups near the Metal Center on a bipy Scaffold","Organometallics","2011","30","23","6339","","10.1021/om200638p","","","0.71073","MoKα","","0.0337","0.0266","","","0.0629","0.067","","","","","","1.029","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065279","15.9215","0.0002","16.2335","0.0002","28.9629","0.0003","90","","90","","90","","7485.8","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H28 Al N Si2 -","- C14 H28 Al N Si2 -","- C224 H448 Al16 N16 Si32 -","16","2","","Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes","Organometallics","2011","30","22","6150","","10.1021/om200680d","","","0.71073","MoKα","","0.0777","0.0502","","","0.097","0.1062","","","","","","1.089","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065302","13.8992","0.0016","14.8869","0.0017","16.4172","0.0019","90","","90","","90","","3397","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 B N2 P -","- C16 H24 B N2 P -","- C128 H192 B8 N16 P8 -","8","1","","MacInnis, Morgan C.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Palladium Complexes Supported by an NPN-Phosphido Ancillary Ligand","Organometallics","2011","30","23","6408","","10.1021/om200701h","","","0.71073","MoKα","","0.0966","0.0574","","","0.1311","0.155","","","","","","1.012","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065372","22.5271","0.0003","29.5173","0.0004","35.9883","0.0005","90","","90","","90","","23930","0.6","89","2","89","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H133 Br Li6 O49 Sb12 -","- C84 H84 Br0.976 Li5.2 O46.319 Sb12 -","- C672 H672 Br7.808 Li41.6 O370.552 Sb96 -","8","1","","Nicholson, Brian K.; Clark, Christopher J.; Wright, Cody E.; Telfer, Shane G.; Groutso, Tania","New Sb12and Sb14Polyoxometalate Frameworks Derived from Arylstibonic Acids: [LiH3(p-MeC6H4Sb)12O28]4‒and [BaH10(p-MeC6H4Sb)14O34]","Organometallics","2011","30","24","6612","","10.1021/om200739a","","","0.71073","MoKα","","0.0907","0.0512","","","0.1145","0.1386","","","","","","1.062","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065400","14.383","0.003","14.605","0.003","20.451","0.004","90","","90","","90","","4296","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 N Zr -","- C17 H25 B10 N Zr -","- C136 H200 B80 N8 Zr8 -","8","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0996","0.0405","","","0.0968","0.1342","","","","","","1.036","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065418","13.8","0.002","11.815","0.002","26.418","0.004","90","","90","","90","","4307.4","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[(3,3-diethoxypropylbenzene)RuCl2(pta)]","","","- C19 H32 Cl2 N3 O2 P Ru -","- C19 H32 Cl2 N3 O2 P Ru -","- C152 H256 Cl16 N24 O16 P8 Ru8 -","8","1","","Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han","Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling","Organometallics","2011","30","21","5965","","10.1021/om200783r","","x-ray","0.71073","MoKα","","0.0502","0.0423","","","0.0896","0.092","","","","","","1.218","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065419","14.457","0.005","16.321","0.006","17.358","0.007","90","","90","","90","","4096","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl0 Mo N6 O4 -","- C20 H14 Mo N6 O4 -","- C160 H112 Mo8 N48 O32 -","8","1","","Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Bubrin, Denis; Fiedler, Jan; Kaim, Wolfgang","Separation of Metal Binding and Electron Transfer Sites as a Strategy To Stabilize the Ligand-Reduced and Metal-Oxidized Form of [Mo(CO)4L]","Organometallics","2011","30","23","6441","","10.1021/om2007858","","","0.71073","MoKα","","0.105","0.0464","","","0.0918","0.1005","","","","","","0.697","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065421","13.8435","0.0007","18.9577","0.0009","40.02","0.002","90","","90","","90","","10502.9","0.9","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C55 H86 Li2 N2 O5 -","- C55 H86 Li2 N2 O5 -","- C440 H688 Li16 N16 O40 -","8","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1657","0.0886","","","0.2188","0.2657","","","","","","1.043","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065438","17.831","0.0008","14.923","0.0007","18.082","0.0008","90","","90","","90","","4811.5","0.4","138","2","138","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H36 F3 O3 P Ru S -","- C20 H36 F3 O3 P Ru S -","- C160 H288 F24 O24 P8 Ru8 S8 -","8","1","","Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don","Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes","Organometallics","2011","30","20","5524","","10.1021/om200795x","","","0.71073","MoKα","","0.0597","0.0345","","","0.0689","0.0767","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065449","16.545","0.006","24.021","0.009","25.028","0.009","90","","90","","90","","9947","6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H62 F3 N4 O3 P2 Pd2 S -","- C48 H62 F3 N4 O3 P2 Pd2 S -","- C384 H496 F24 N32 O24 P16 Pd16 S8 -","8","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0903","0.0469","","","0.0936","0.1118","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065473","9.4982","0.0006","16.2862","0.0009","24.839","0.003","90","","90","","90","","3842.3","0.6","100","2","100","2","","","","","","","tetrahydrofuran","6","P b c a","-P 2ac 2ab","61","","N,N'-3,7-diallyl-3,7-diaza-bicyclo[3.3.1]nonane(N,N'-Diallyl-bispidine)- hapto-3-allyl-palladium(II) hexafluorophosphate","","- C16 H27 F6 N2 P Pd -","- C16 H27 F6 N2 P Pd -","- C128 H216 F48 N16 P8 Pd8 -","8","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard","Synthesis and Coordination Chemistry ofN,N-Diallylbispidine","Organometallics","2011","30","22","6241","","10.1021/om200824c","","","0.71073","MoKα","","0.0365","0.0293","","","0.0638","0.0681","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065587","14.6191","0.0003","17.5119","0.0004","15.7302","0.0003","90","","90","","90","","4027.06","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(ε^5^-cyclopentdienyl)rheniumbismuthbis(1,1,1,3,3,3- hexafluoro-2-propanolate)","","- C16 H12 Bi F12 O2 Re -","- C16 H12 Bi F12 O2 Re -","- C128 H96 Bi8 F96 O16 Re8 -","8","1","","Schiwon, Rafael; Knispel, Christina; Limberg, Christian","Heterometallic Complexes with Re−Bi Metal Bonds","Organometallics","2010","29","7","1670","","10.1021/om100011r","","","0.71073","MoKα","","0.0437","0.0341","","","0.0767","0.08","","","","","","1.023","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065617","12.8514","0.001","13.9753","0.0011","16.3838","0.0013","90","","90","","90","","2942.6","0.4","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F10 I2 Ir2 -","- C24 H30 F10 I2 Ir2 -","- C96 H120 F40 I8 Ir8 -","4","0.5","","Yuan, Jian; Hughes, Russell P.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structural and Computational Studies of a Conformationally Locked (η1-Perfluoroalkylidene)(η2-alkene) Transition Metal Complex: Ir(Cp*)(CFCF3)(C2H4)","Organometallics","2010","29","8","1942","","10.1021/om1000343","","","0.71073","MoKα","","0.0314","0.0217","","","0.0501","0.0545","","","","","","0.991","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065641","9.5527","0.0002","18.179","0.0004","23.3617","0.0004","90","","90","","90","","4056.96","0.14","85","2","85","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-ethynyl-4'-(4-ethynyl-N-methyl-1,8-naphthalimide)biphenyl","","- C29 H17 N O2 -","- C29 H17 N O2 -","- C232 H136 N8 O16 -","8","1","","McAdam, C. John; Robinson, Brian H.; Simpson, Jim; Tagg, Tei","Ferrocenyl−Naphthalimide Donor−Acceptor Dyads with Aromatic Spacer Groups","Organometallics","2010","29","11","2474","","10.1021/om1000452","","","0.71073","MoKα","","0.0505","0.0411","","","0.1118","0.1179","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065643","7.6562","0.0003","21.018","0.0009","37.5754","0.0016","90","","90","","90","","6046.6","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1.C3H6O","","","- C39 H32 Au O P -","- C39 H32 Au O P -","- C312 H256 Au8 O8 P8 -","8","1","","Nguyen, Minh-Hai; Yip, John H. K.","Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation","Organometallics","2010","29","11","2422","","10.1021/om100046h","","","0.71073","MoKα","","0.0601","0.0476","","","0.1207","0.1302","","","","","","1.133","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065656","17.7138","0.0007","16.2752","0.0007","19.9105","0.0008","90","","90","","90","","5740.1","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H84 Mn2 N4 -","- C60 H84 Mn2 N4 -","- C240 H336 Mn8 N16 -","4","0.5","","Ni, Chengbao; Lei, Hao; Power, Philip P.","Reaction of M(II) Diaryls (M = Mn or Fe) with Ammonia to Afford Parent Amido Complexes","Organometallics","2010","29","8","1988","","10.1021/om1000502","","","0.71073","MoKα","","0.0545","0.035","","","0.0894","0.0961","","","","","","1.045","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065703","25.255","0.009","9.392","0.004","26.426","0.01","90","","90","","90","","6268","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N Y -","- C34 H34 N Y -","- C272 H272 N8 Y8 -","8","1","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.1901","0.0676","","","0.1207","0.1325","","","","","","0.913","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065704","25.065","0.007","9.369","0.003","26.26","0.008","90","","90","","90","","6167","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N Yb -","- C34 H34 N Yb -","- C272 H272 N8 Yb8 -","8","1","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.0804","0.0382","","","0.0821","0.0858","","","","","","1.005","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065708","27.581","0.01","8.893","0.003","33.879","0.013","90","","90","","90","","8310","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Er N -","- C23 H28 Er N -","- C368 H448 Er16 N16 -","16","2","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.1664","0.0694","","","0.0849","0.0996","","","","","","0.892","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065723","18.9721","0.0012","14.9681","0.0009","21.0475","0.0013","90","","90","","90","","5977","0.6","186.5","0.2","186.5","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H41 Cl2 N2 O2 Si0 Y -","- C29 H41 Cl2 N2 O2 Y -","- C232 H328 Cl16 N16 O16 Y8 -","8","1","","Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan","β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene","Organometallics","2010","29","9","2186","","10.1021/om100100r","","","0.71073","MoKα","","0.0556","0.0328","","","0.0749","0.0843","","","","","","1.024","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065801","12.903","0.003","18.625","0.005","31.683","0.008","90","","90","","90","","7614","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N2 O8 Se5 W -","- C28 H52 N2 O8 Se5 W -","- C224 H416 N16 O64 Se40 W8 -","8","1","","Chiu, Wai-Hang; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung","Addition of Dimethyl Acetylenedicarboxylate to the [WSe4]2−Anion","Organometallics","2010","29","11","2631","","10.1021/om100142d","","","0.71073","MoKα","","0.062","0.0585","","","0.0816","0.0918","","","","","","0.972","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065802","14.7872","0.001","17.6187","0.0012","34.699","0.002","90","","90","","90","","9040.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H59 N2 O12.5 Se4 W -","- C34 H59 N2 O12.5 Se4 W -","- C272 H472 N16 O100 Se32 W8 -","8","1","","Chiu, Wai-Hang; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung","Addition of Dimethyl Acetylenedicarboxylate to the [WSe4]2−Anion","Organometallics","2010","29","11","2631","","10.1021/om100142d","","","0.71073","MoKα","","0.0502","0.0396","","","0.1184","0.1246","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065816","11.2152","0.0002","12.4955","0.0002","34.8874","0.0006","90","","90","","90","","4889.1","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N2 O8 Ru3 -","- C19 H21 N2 O8 Ru3 -","- C152 H168 N16 O64 Ru24 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Vázquez-García, Digna","From Allenes to Edge-Bridging Allyl Ligands or Face-Capping Alkenyl Ligands on a Triruthenium Hydrido Carbonyl Cluster: An Experimental and DFT Computational Study†","Organometallics","2010","29","21","4818","","10.1021/om100148z","","","0.71073","MoKα","","0.0585","0.0337","","","0.0982","0.1355","","","","","","1.072","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065819","16.2809","0.0011","14.3063","0.0013","25.6018","0.0019","90","","90","","90","","5963.2","0.8","193.1","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl2 N Rh -","- C13 H22 Cl2 N Rh -","- C208 H352 Cl32 N16 Rh16 -","16","2","","Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao","Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes","Organometallics","2010","29","8","1886","","10.1021/om100151m","","","0.7107","MoKα","","","0.0273","","","","0.1504","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065844","19.341","0.004","18.414","0.004","39.322","0.008","90","","90","","90","","14004","5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H108 Ba Ga2 N6 O2 -","- C66 H108 Ba Ga2 N6 O2 -","- C528 H864 Ba8 Ga16 N48 O16 -","8","1","","Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D.","Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)†","Organometallics","2010","29","21","4914","","10.1021/om1001606","","","0.71073","MoKα","","0.0537","0.0329","","","0.0747","0.0823","","","","","","1.065","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065873","13.85","0.004","11.311","0.003","26.322","0.007","90","","90","","90","","4124","2","193.1","","193","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H48 Cl4 F6 N2 O6 Rh2 S2 -","- C30 H48 Cl4 F6 N2 O6 Rh2 S2 -","- C120 H192 Cl16 F24 N8 O24 Rh8 S8 -","4","0.5","","Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao","Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts","Organometallics","2010","29","11","2397","","10.1021/om1001809","","","0.7107","MoKα","","","0.0341","","","","0.0711","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065889","17.84","0.005","21.065","0.006","21.778","0.006","90","","90","","90","","8184","4","273","2","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H58 Cl2 N3 Nb -","- C41 H58 Cl2 N3 Nb -","- C328 H464 Cl16 N24 Nb8 -","8","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.","Organometallics","2010","29","13","2926","2942","10.1021/om1001827","","","0.71073","MoKα","","0.056","0.0356","","","0.086","0.0931","","","","","","1.117","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065891","19.6487","0.0012","18.8868","0.0012","22.3644","0.0014","90","","90","","90","","8299.5","0.9","457","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H64 N5 Nb -","- C42 H64 N5 Nb -","- C336 H512 N40 Nb8 -","8","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.","Organometallics","2010","29","13","2926","2942","10.1021/om1001827","","","0.71073","MoKα","","0.0521","0.0349","","","0.0862","0.0908","","","","","","1.382","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065929","16.2549","0.0018","22.0701","0.0015","19.2147","0.0018","90","","90","","90","","6893.2","1.1","109","2","109","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H84 As4 I2 O16 Pt -","- C52 H84 As4 I2 O16 Pt -","- C208 H336 As16 I8 O64 Pt4 -","4","0.5","","Arita, Manabu; Naka, Kensuke; Shimamoto, Tatsuo; Yumura, Takashi; Nakahashi, Akiko; Morisaki, Yasuhiro; Chujo, Yoshiki","1,4-Dihydro-1,4-diarsinine-Bridged Dinucleartrans-Dihaloplatinum(II) Complexes: Synthesis and Controlled Pt−Pt Interaction by Halogen Substitution Induced Conformational Change§","Organometallics","2010","29","21","4992","","10.1021/om100201x","","","0.71075","MoKα","","0.0621","0.0353","","","0.0601","0.0648","","","","","","0.973","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065947","12.856","0.0002","22.4052","0.0004","23.8151","0.0005","90","","90","","90","","6859.7","0.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H33 Cl2 O4.5 P2 Ru S4 -","- C25 H33 Cl2 O4.5 P2 Ru S4 -","- C200 H264 Cl16 O36 P16 Ru8 S32 -","8","1","","Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng","Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5))","Organometallics","2010","29","12","2752","","10.1021/om100209k","","","0.71073","MoKα","","0.0543","0.0397","","","0.07","0.1127","","","","","","1.045","","","","has coordinates","189765","2020-10-21","18:00:00",""
"4065950","8.322","0.0001","22.9333","0.0003","35.9063","0.0004","90","","90","","90","","6852.75","0.14","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H34 Cl2 Fe2 O P2 Ru S4 -","- C31 H34 Cl2 Fe2 O P2 Ru S4 -","- C248 H272 Cl16 Fe16 O8 P16 Ru8 S32 -","8","1","","Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng","Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5))","Organometallics","2010","29","12","2752","","10.1021/om100209k","","","0.71073","MoKα","","0.0421","0.0311","","","0.0667","0.0711","","","","","","1.023","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065988","20.998","0.005","17.398","0.005","23.026","0.005","90","0.005","90","0.005","90","0.005","8412","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H48 Cl2 N2 O4 Pd2 -","- C41 H48 Cl2 N2 O4 Pd2 -","- C328 H384 Cl16 N16 O32 Pd16 -","8","1","","Vázquez-García, Digna; Fernández, Alberto; López-Torres, Margarita; Rodríguez, Antonio; Gómez-Blanco, Nina; Viader, Carlos; Vila, José M.; Fernández, Jesús J.","Versatile Behavior of the Schiff Base Ligand 2,5-Me2C6H3C(H)═N(2,4,6-Me3C6H2) toward Cyclometalation Reactions: C(sp2,phenyl)−H vs C(sp3,methyl)−H Activation","Organometallics","2010","29","15","3303","","10.1021/om100238w","","","0.71073","MoKα","","0.098","0.0451","","","0.1168","0.1607","","","","","","1.066","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4066005","22.81","0.0015","24.5879","0.0016","27.1406","0.0018","90","","90","","90","","15221.8","1.7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H98 Cu6 N4 O2 P4 Si4 -","- C72 H98 Cu6 N4 O2 P4 Si4 -","- C576 H784 Cu48 N32 O16 P32 Si32 -","8","1","","Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges","Organometallics","2010","29","19","4251","","10.1021/om1002478","","","0.71073","MoKα","","0.041","0.0279","","","0.065","0.0709","","","","","","1.016","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066018","17.822","0.012","17.854","0.013","25.904","0.009","90","","90","","90","","8242","9","293.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45.5 H49 P3 Ru -","- C45.5 H45 P3 Ru -","- C364 H360 P24 Ru8 -","8","1","","Hirano, Masafumi; Togashi, Sayaka; Ito, Muneaki; Sakaguchi, Yuko; Komine, Nobuyuki; Komiya, Sanshiro","Carbon−Hydrogen Bond Cleavage Reaction in 5-Coordinate Bis(2,6-dimethylbenzenethiolato)ruthenium(II) Complexes","Organometallics","2010","29","14","3146","","10.1021/om100249s","","","0.71069","MoKα","","","0.0555","","","","0.206","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066048","13.0742","0.0002","21.2949","0.0004","27.0004","0.0005","90","","90","","90","","7517.3","0.2","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl2 Cr Mn N O9 Si -","- C36 H36 Cl2 Cr Mn N O9 Si -","- C288 H288 Cl16 Cr8 Mn8 N8 O72 Si8 -","8","1","","Dubarle Offner, Julien; Schnakenburg, Gregor; Rose-Munch, Françoise; Rose, Eric; Dötz, Karl Heinz","Dibenzo[f,h]quinoline Cr(CO)3Complexes: Synthesis by Chromium-Templated Benzannulation, Cyclomanganation, and Haptotropic Chromium Migration","Organometallics","2010","29","15","3308","","10.1021/om100258c","","","0.71073","MoKα","","0.0615","0.0365","","","0.0955","0.1041","","","","","","1.008","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066096","10.785","0.007","9.856","0.006","25.027","0.016","90","","90","","90","","2660","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N Se -","- C15 H15 N Se -","- C120 H120 N8 Se8 -","8","1","","Murai, Toshiaki; Hori, Rumi; Maruyama, Toshifumi; Shibahara, Fumitoshi","(Selenocarbamoyl)silanes and -germanes: Their Synthesis Using (Selenocarbamoyl)lithium and Characterization","Organometallics","2010","29","11","2400","","10.1021/om100290h","","","0.7107","MoKα","","0.051","0.0481","","","0.0954","0.0971","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066118","8.9277","0.0007","17.0219","0.0014","36.188","0.003","90","","90","","90","","5499.4","0.8","100","2","100","2","","","","","","","synthetical product","4","P b c a","-P 2ac 2ab","61","2,6-dimesitylphenyldichloro(trimethylsilylethinyl)silane","","","- C29 H34 Cl2 Si2 -","- C29 H34 Cl2 Si2 -","- C232 H272 Cl16 Si16 -","8","1","","Spirk, Stefan; Belaj, Ferdinand; Albering, Jörg H.; Pietschnig, Rudolf","Formation of a Silylated 1-Silaallene via an Intermediate 1-Chloro-1-silaallene","Organometallics","2010","29","13","2981","","10.1021/om100299w","","","0.71073","MoKα","","0.0409","0.0311","","","0.0757","0.0813","","","","","","1.04","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066131","9.6651","0.0002","16.4871","0.0004","31.7377","0.0009","90","","90","","90","","5057.4","0.2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 Zr -","- C32 H34 N2 Zr -","- C256 H272 N16 Zr8 -","8","1","","Kaleta, Katharina; Arndt, Perdita; Beweries, Torsten; Spannenberg, Anke; Theilmann, Oliver; Rosenthal, Uwe","Reactions of Group 4 Metallocene Alkyne Complexes with Azobenzene: Formation of Diazametallacyclopropanes and N═N Bond Activation","Organometallics","2010","29","11","2604","","10.1021/om100306b","","","0.71073","MoKα","","0.0518","0.0331","","","0.0817","0.0866","","","","","","0.873","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066158","12.7023","0.0004","12.7894","0.0004","14.3692","0.0005","90","","90","","90","","2334.35","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O6 Sn2 W2 -","- C20 H20 O6 Sn2 W2 -","- C80 H80 O24 Sn8 W8 -","4","0.5","","Bera, Holger; Braunschweig, Holger; Dörfler, Rainer; Kupfer, Thomas; Radacki, Krzysztof; Seeler, Fabian","Half-Sandwich Tungsten Complexes with Metal- and η5-Cyclopentadienyl-Bound Functional Stannyl Groups and Their Transformation intoAnsaComplexes†","Organometallics","2010","29","21","5111","","10.1021/om100324m","","","0.71073","MoKα","","0.0368","0.0339","","","0.08","0.081","","","","","","1.209","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066177","9.9024","0.0002","14.0656","0.0004","24.2369","0.0006","90","","90","","90","","3375.79","0.14","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H34 N6 Zn2 -","- C40 H34 N6 Zn2 -","- C160 H136 N24 Zn8 -","4","0.5","","Kahnes, Marcel; Görls, Helmar; Westerhausen, Matthias","Synthesis of Dinuclear Zinc Alkynyls and Their Use in Catalytic Silicon−Carbon Bond Formation","Organometallics","2010","29","16","3490","","10.1021/om100338s","","","0.71073","MoKα","","0.0604","0.0355","","","0.075","0.083","","","","","","1.024","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066248","15.1433","0.0007","9.2167","0.0004","30.8421","0.0015","90","","90","","90","","4304.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Fe O2 Si -","- C22 H30 Fe O2 Si -","- C176 H240 Fe8 O16 Si8 -","8","1","","Jutzi, Peter; Leszczyńska, Kinga; Mix, Andreas; Neumann, Beate; Rummel, Britta; Schoeller, Wolfgang; Stammler, Hans-Georg","Synthesis and Characterization of the Ferrio-Substituted Silicon(II) Compound Me5C5(CO)2FeSiC5Me5†","Organometallics","2010","29","21","4759","","10.1021/om100366f","","","0.71073","MoKα","","0.0706","0.0419","","","0.1024","0.1144","","","","","","1.021","","","","has coordinates,has disorder","178554","2020-10-21","18:00:00",""
"4066259","6.9726","0.0004","11.1807","0.0006","21.3756","0.0012","90","","90","","90","","1666.41","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H11 O P -","- C8 H11 O P -","- C64 H88 O8 P8 -","8","1","","Ananikov, Valentine P.; Gayduk, Konstantin A.; Starikova, Zoya A.; Beletskaya, Irina P.","Ni(acac)2/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems†","Organometallics","2010","29","21","5098","","10.1021/om1003732","","","0.71073","MoKα","","0.0449","0.0348","","","0.0761","0.0806","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066328","13.4319","0.0002","28.3133","0.0003","13.6054","0.0001","90","","90","","90","","5174.15","0.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H40 N2 O2 Si W -","- C25 H40 N2 O2 Si W -","- C200 H320 N16 O16 Si8 W8 -","8","1","","Suzuki, Eiji; Komuro, Takashi; Kanno, Yuto; Okazaki, Masaaki; Tobita, Hiromi","Facile 1,2-Migration of a Methyl Group on a {Dimethoxy(methyl)silyl}tungsten Complex: Formation of a Base-Stabilized (Dimethoxysilylene)(methyl) Complex†","Organometallics","2010","29","21","5296","","10.1021/om100399s","","","0.71069","MoKα","","0.0595","0.0458","","","0.0852","0.0961","","","","","","1.456","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066359","16.585","0.004","13.446","0.003","21.832","0.005","90","","90","","90","","4868.6","1.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H31 B N2 O S -","- C27 H31 B N2 O S -","- C216 H248 B8 N16 O8 S8 -","8","1","","Matsumoto, Takeshi; Wade, Casey R.; Gabbaï, François P.","Synthesis and Lewis Acidic Behavior of a Cationic 9-Thia-10-boraanthracene†","Organometallics","2010","29","21","5490","","10.1021/om100415z","","","0.71073","MoKα","","0.087","0.0476","","","0.081","0.0888","","","","","","1.008","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066367","13.3419","0.001","17.3132","0.0014","21.511","0.002","90","","90","","90","","4968.8","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H40 N2 -","- C27 H40 N2 -","- C216 H320 N16 -","8","1","","Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W.","Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities","Organometallics","2010","29","13","3047","","10.1021/om1004226","","","0.71074","MoKα","","0.0695","0.0501","","","0.112","0.122","","","","","","1.02","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066372","19.6592","0.0006","19.2293","0.0006","15.481","0.0005","90","0.005","90","0.005","90","0.005","5852.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H40 Cl Ir N2 O2 -","- C29 H40 Cl Ir N2 O2 -","- C232 H320 Cl8 Ir8 N16 O16 -","8","1","","Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W.","Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities","Organometallics","2010","29","13","3047","","10.1021/om1004226","","","0.71069","MoKα","","0.0409","0.0262","","","0.0667","0.0737","","","","","","1.015","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066396","11.8998","0.0003","15.5324","0.0004","27.9034","0.0007","90","","90","","90","","5157.5","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H42 Ir N O P2 -","- C24 H42 Ir N O P2 -","- C192 H336 Ir8 N8 O8 P16 -","8","1","","Schwartsburd, Leonid; Iron, Mark A.; Konstantinovski, Leonid; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Synthesis and Reactivity of an Iridium(I) Acetonyl PNP Complex. Experimental and Computational Study of Metal−Ligand Cooperation in H−H and C−H Bond Activation via Reversible Ligand Dearomatization","Organometallics","2010","29","17","3817","","10.1021/om1004435","","","0.71073","MoKα","","0.0498","0.0293","","","0.0588","0.0674","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4066428","16.874","0.006","20.788","0.007","31.858","0.009","90","","90","","90","","11175","6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H86 Au B F4 N4 -","- C58 H86 Au B F4 N4 -","- C464 H688 Au8 B8 F32 N32 -","8","1","","Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.","Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†","Organometallics","2010","29","21","5402","","10.1021/om100456b","","","0.71073","MoKα","","0.1045","0.0875","","","0.2003","0.2097","","","","","","1.225","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066432","13.7743","0.0003","16.6626","0.0004","23.2563","0.0004","90","","90","","90","","5337.7","0.2","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl4 N2 -","- C31 H20 Cl4 N2 -","- C248 H160 Cl32 N16 -","8","1","","Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno","Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands","Organometallics","2010","29","14","3169","","10.1021/om100458h","","","0.71073","MoKα","","0.0649","0.0406","","","0.0925","0.1021","","","","","","1.03","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066440","11.19","0.002","13.114","0.003","19.667","0.004","90","","90","","90","","2886","1","240","1","240","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","5a","6[(chlorodimethylsilyl)methyl]-2,2-dimethyl-2H-[1,4,2]oxazasilolo[4,5-c]pyrimidine-5,7(3H,6H)-dione","","- C10 H17 Cl N2 O3 Si2 -","- C10 H17 Cl N2 O3 Si2 -","- C80 H136 Cl8 N16 O24 Si16 -","8","1","","Kertsnus-Banchik, Evgenia; Gostevskii, Boris; Botoshansky, Mark; Kalikhman, Inna; Kost, Daniel","Dinuclear Silicon Complexes of Uracil, Barbituric Acid, and 5,5-Dimethylbarbituric Acid: Hydrolytic Formation of Cyclic Oligomers(1)†","Organometallics","2010","29","21","5435","","10.1021/om100461b","","","0.71073","MoKα","","0.1169","0.045","","","0.0941","0.1113","","","","","","0.932","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066522","11.6877","0.0002","11.3921","0.0002","27.5719","0.0006","90","","90","","90","","3671.13","0.12","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Fe N O2 -","- C23 H21 Fe N O2 -","- C184 H168 Fe8 N8 O16 -","8","1","","Usener, Carolin; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Mück-Lichtenfeld, Christian; Erker, Gerhard","Developing a Reliable Synthetic Route tocis-1,3-Bridge-Disubstituted [3]Ferrocenophane Systems","Organometallics","2010","29","17","3852","","10.1021/om100501q","","","0.71073","MoKα","","0.0679","0.038","","","0.0881","0.0996","","","","","","1.018","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066603","27.569","0.003","18.834","0.002","17.903","0.002","90","","90","","90","","9295.9","1.8","180","2","180","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H41 Cl4 F3 N O6 S2 Ta -","- C40 H41 Cl4 F3 N O6 S2 Ta -","- C320 H328 Cl32 F24 N8 O48 S16 Ta8 -","8","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Influence of Hydrogen Bonds on the Stability of Some Cationic Monoaminocarbene Tantalum Complexes Containing Tridentate Bis(phenolato) [OSO]-Type Ligands","Organometallics","2010","29","22","5834","","10.1021/om100541g","","","0.71073","MoKα","","0.1629","0.0742","","","0.1831","0.2261","","","","","","0.972","","","","has coordinates,has disorder","178558","2020-10-21","18:00:00",""
"4066614","8.382","0.003","13.732","0.004","28.061","0.008","90","","90","","90","","3229.9","1.8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","in manuscript 2b","","","- C13 H16 Au Cl3 N2 -","- C13 H16 Au Cl3 N2 -","- C104 H128 Au8 Cl24 N16 -","8","1","","Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael","Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis","Organometallics","2010","29","20","4448","4458","10.1021/om1005484","","","0.71073","MoKα","","0.0302","0.0267","","","0.0544","0.0556","","","","","","1.134","","","","has coordinates","269227","2021-09-21","12:59:03",""
"4066653","15.4332","0.0004","17.7471","0.0004","18.5611","0.0003","90","","90","","90","","5083.78","0.19","123.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 Bi S2 Si2 -","- C22 H29 Bi S2 Si2 -","- C176 H232 Bi8 S16 Si16 -","8","1","","Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki","Synthesis of Dithienobismoles as Novel Phosphorescence Materials","Organometallics","2010","29","15","3239","","10.1021/om100560n","","","0.71075","MoKα","","","0.0488","","","","0.0546","","","","","","4.538","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066675","13.2933","0.0009","12.4533","0.0008","26.2599","0.0017","90","","90","","90","","4347.2","0.5","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","unimc08","","","- C28 H32 Ru2 -","- C28 H32 Ru2 -","- C224 H256 Ru16 -","8","1","","Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William","Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands","Organometallics","2010","29","17","3868","","10.1021/om100566w","","","0.71073","MoKα","","0.0364","0.0268","","","0.0585","0.0623","","","","","","1.067","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066705","16.112","0.004","9.467","0.003","19.243","0.004","90","","90","","90","","2935.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O Pd -","- C14 H17 Cl N2 O Pd -","- C112 H136 Cl8 N16 O8 Pd8 -","8","1","","D’Amora, Angela; Fanfoni, Lidia; Cozzula, Daniela; Guidolin, Nicol; Zangrando, Ennio; Felluga, Fulvia; Gladiali, Serafino; Benedetti, Fabio; Milani, Barbara","Addressing the Poly- to Oligo-ketone Selectivity in Styrene Carbonylation Catalyzed by Palladium/bpy Complexes. Effect of the 6-Alkyl Substitution","Organometallics","2010","29","20","4472","","10.1021/om100585x","","","0.71073","Mokα","","0.0675","0.0412","","","0.0986","0.1074","","","","","","0.833","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066745","10.95","0.003","14.911","0.004","33.679","0.01","90","","90","","90","","5499","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","8d","","","- C36 H26 Ir N3 O2 -","- C36 H26 Ir N3 O2 -","- C288 H208 Ir8 N24 O16 -","8","1","","Tsurugi, Hayato; Fujita, Shingo; Choi, Gyeongshin; Yamagata, Tsuneaki; Ito, Syoji; Miyasaka, Hiroshi; Mashima, Kazushi","Carboxylate Ligand-Induced Intramolecular C−H Bond Activation of Iridium Complexes withN-Phenylperimidine-Based Carbene Ligands","Organometallics","2010","29","18","4120","","10.1021/om100604u","","","0.71075","MoKα","","0.0854","0.0536","","","0.1444","0.1811","","","","","","1.172","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066804","19.056","0.003","13.8732","0.0019","49.033","0.007","90","","90","","90","","12963","3","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H77 Cl3 N6 Ni Pt -","- C74 H77 Cl3 N6 Ni Pt -","- C592 H616 Cl24 N48 Ni8 Pt8 -","8","1","","Yoshida, Keita; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi","Platinum(II) and Platinum(IV) Porphyrin Pincer Complexes: Synthesis, Structures, and Reactivity","Organometallics","2010","29","17","3997","","10.1021/om100644n","","","0.71069","MoKα","","0.1386","0.0929","","","0.1937","0.2128","","","","","","1.125","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066851","14.704","0.0004","14.0265","0.0004","18.9878","0.0005","90","","90","","90","","3916.15","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Co N2 O2 S -","- C20 H26 Co N2 O2 S -","- C160 H208 Co8 N16 O16 S8 -","8","1","","Vélez, Carmen L; Markwick, Phineus R. L.; Holland, Ryan L.; Dipasquale, Antonio G.; Rheingold, Arnold L.; O'Connor, Joseph M","Cobalt 1,3-Diisopropyl-1H-imidazol-2-ylidene Complexes: Synthesis, Solid-State Structures, and Quantum Chemistry Calculations.","Organometallics","2010","29","24","6695","6702","10.1021/om100680c","","","1.54178","CuKα","","0.0502","0.033","","","0.0697","0.0761","","","","","","1.029","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066878","8.4658","0.0002","19.9508","0.0005","33.6138","0.0009","90","","90","","90","","5677.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H34 B Ir N6 O4 -","- C27 H34 B Ir N6 O4 -","- C216 H272 B8 Ir8 N48 O32 -","8","1","","Cristóbal, Crispín; García-Rubín, Silvia; Hernández, Yohar A.; López-Serrano, Joaquín; Paneque, Margarita; Posadas, Cristina M.; Poveda, Manuel L.; Rendón, Nuria; Álvarez, Eleuterio","Iridafurans by Coupling of Alkynes and Aldehydes on a TpMe2Ir System. Facile Demethoxycarbonylation of a β-CO2Me Substituent","Organometallics","2010","29","22","5744","","10.1021/om1006853","","","0.71073","MoKα","","0.0614","0.036","","","0.0808","0.0897","","","","","","1.051","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066913","12.3266","0.0004","20.0488","0.0007","31.3531","0.0009","90","","90","","90","","7748.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H60 Cl4 O P2 Ru -","- C36 H60 Cl4 O P2 Ru -","- C288 H480 Cl32 O8 P16 Ru8 -","8","1","","Boone, Michael P.; Brown, Christopher C.; Ancelet, Travis A.; Stephan, Douglas W.","Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes","Organometallics","2010","29","19","4369","","10.1021/om100707a","","","0.71073","MoKα","","0.0679","0.0402","","","0.0797","0.0894","","","","","","1.024","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066976","11.698","0.0019","10.4588","0.0017","16.084","0.003","90","","90","","90","","1967.8","0.6","223.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl P Pd -","- C6 H14 Cl P Pd -","- C48 H112 Cl8 P8 Pd8 -","8","1","","Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Hruszkewycz, Damian P.; Incarvito, Christopher D.; Schmeier, Timothy J.","The Reaction of Carbon Dioxide with Palladium Allyl Bonds.","Organometallics","2010","29","23","6369","6376","10.1021/om1007456","","","0.71075","MoKα","","","0.0601","","","","0.0897","","","","","","1.316","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067018","10.263","0.0006","20.5092","0.0009","45.27","0.002","90","","90","","90","","9528.7","0.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F9 O P -","- C23 H25 B F9 O P -","- C368 H400 B16 F144 O16 P16 -","16","2","","Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies","Organometallics","2010","29","22","6012","","10.1021/om100776k","","","0.71073","MoKα","","0.0866","0.0529","","","0.1266","0.1398","","","","","","0.952","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067024","10.1201","0.0004","20.4708","0.0008","45.668","0.002","90","","90","","90","","9460.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H26 B F8 O P -","- C23 H26 B F8 O P -","- C368 H416 B16 F128 O16 P16 -","16","2","","Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies","Organometallics","2010","29","22","6012","","10.1021/om100776k","","","0.71073","MoKα","","0.1049","0.0441","","","0.0735","0.0874","","","","","","0.848","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067026","12.3167","0.0005","17.5802","0.0006","19.4216","0.0007","90","","90","","90","","4205.4","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H25 B Cl F4 P -","- C21 H25 B Cl F4 P -","- C168 H200 B8 Cl8 F32 P8 -","8","1","","Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies","Organometallics","2010","29","22","6012","","10.1021/om100776k","","","0.71073","MoKα","","0.0445","0.0332","","","0.0797","0.0841","","","","","","1.055","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067064","20.9496","0.0007","21.0979","0.0007","36.6305","0.0013","90","","90","","90","","16190.4","1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 F6 N4 O4 Pd2 S2 -","- C37 H32 Cl2 F6 N4 O4 Pd2 S2 -","- C592 H512 Cl32 F96 N64 O64 Pd32 S32 -","16","2","","Yuan, Dan; Huynh, Han Vinh","Dinuclear and Tetranuclear Palladium(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand and Their Activities toward Suzuki−Miyaura Coupling","Organometallics","2010","29","22","6020","","10.1021/om1008023","","","0.71073","MoKα","","0.0665","0.0488","","","0.1088","0.1157","","","","","","1.081","","","","has coordinates,has disorder","178505","2020-10-21","18:00:00",""
"4067136","9.4046","0.0011","9.6243","0.0011","22.776","0.003","90","","90","","90","","2061.5","0.4","198","1","198","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B N Ti -","- C10 H15 B N Ti -","- C80 H120 B8 N8 Ti8 -","8","1","","Wolstenholme, David J.; Traboulsee, Kyle T.; Decken, Andreas; McGrady, G. Sean","Structure and Bonding of Titanocene Amidoborane Complexes: A Common Bonding Motif with Their β-Agostic Organometallic Counterparts","Organometallics","2010","29","22","5769","","10.1021/om100848c","","x-ray","0.71073","MoKα","","0.1053","0.042","","","0.0742","0.0981","","","","","","1.19","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067137","16.3019","0.0025","17.5047","0.0027","21.8455","0.0034","90","","90","","90","","6233.8","1.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Ni P2 -","- C32 H52 Ni P2 -","- C256 H416 Ni8 P16 -","8","1","","Hatnean, Jillian A.; Beck, Robert; Borrelli, Jenna D.; Johnson, Samuel A.","Carbon−Hydrogen Bond Oxidative Addition of Partially Fluorinated Aromatics to a Ni(PiPr3)2Synthon: The Influence of Steric Bulk on the Thermodynamics and Kinetics of C−H Bond Activation","Organometallics","2010","29","22","6077","","10.1021/om1008499","","","0.71073","MoKα","","0.0813","0.0498","","","0.1008","0.1174","","","","","","1.068","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067177","16.0967","0.0002","16.5501","0.0002","18.3592","0.0002","90","","90","","90","","4890.93","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H43 N2 Ti -","- C23 H43 N2 Ti -","- C184 H344 N16 Ti8 -","8","1","","Trunkely, Emily F.; Epshteyn, Albert; Zavalij, Peter Y.; Sita, Lawrence R.","Synthesis, Structural Characterization, and Preliminary Reactivity Profile of a Series of Monocyclopentadienyl, Monoacetamidinate Titanium(III) Alkyl Complexes Bearing β-Hydrogens","Organometallics","2010","29","23","6587","","10.1021/om100877d","","","0.71073","MoKα","","0.0385","0.0352","","","0.0774","0.0788","","","","","","1","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067188","15.9009","0.0003","14.0408","0.0003","19.9763","0.0004","90","","90","","90","","4459.94","0.16","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Cl Ni P2 -","- C20 H37 Cl Ni P2 -","- C160 H296 Cl8 Ni8 P16 -","8","1","","Smith, Erin E.; Du, Guodong; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Dehydrocoupling of Organosilanes with a Dinuclear Nickel Hydride Catalyst and Isolation of a Nickel Silyl Complex","Organometallics","2010","29","23","6527","","10.1021/om100887v","","","0.71073","MO-Kα","","0.057","0.034","","","0.074","0.08","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067199","20.0199","0.001","16.7127","0.0007","21.5983","0.0008","90","","90","","90","","7226.5","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H37 B F15 P -","- C36 H37 B F15 P -","- C288 H296 B8 F120 P8 -","8","1","","Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W.","Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes","Organometallics","2010","29","23","6594","","10.1021/om1009044","","","0.71073","MoKα","","0.1722","0.0584","","","0.1035","0.1371","","","","","","0.972","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067250","16.7233","0.0007","19.1664","0.0007","33.6405","0.0019","90","","90","","90","","10782.6","0.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H63 F6 P2 Ru Sb -","- C65 H63 F6 P2 Ru Sb -","- C520 H504 F48 P16 Ru8 Sb8 -","8","1","","Chen, Kuo-Hao; Feng, Yi Jhen; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong; Kuo, Ting-Shen","Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group","Organometallics","2010","29","24","6829","","10.1021/om101017p","","","0.71073","MoKα","","0.1535","0.0491","","","0.0737","0.0871","","","","","","0.775","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067351","12.7937","0.0004","18.8424","0.0004","33.487","0.0011","90","","90","","90","","8072.5","0.4","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31.1 H62.25 I1.15 N7 Sr2 -","- C31.1 H62.25 I1.15 N7 Sr2 -","- C248.8 H498 I9.2 N56 Sr16 -","8","1","","Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Stability and Reactivity of Phenylstrontium Compounds in Solution","Organometallics","2010","29","9","2034","","10.1021/om900888g","","","0.71073","MoKα","","0.1804","0.0742","","","0.1478","0.1821","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067364","18.929","0.004","12.633","0.003","22.822","0.004","90","","90","","90","","5457","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Fe2 N2 O6 S -","- C23 H32 Fe2 N2 O6 S -","- C184 H256 Fe16 N16 O48 S8 -","8","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Liu, Chun-Rong; Hu, Qing-Mei","Two Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Formed from Trithiol MeC(CH2SH)3, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles to Produce the Corresponding Neutral Triple- and Double-Butterfly Cluster Complexes","Organometallics","2010","29","1","205","","10.1021/om900899h","","","0.71073","MoKα","","0.1812","0.0526","","","0.1069","0.153","","","","","","1.033","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067380","14.7586","0.0008","13.6043","0.0008","24.0237","0.0014","90","","90","","90","","4823.5","0.5","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H27 N3 O2 Ru -","- C27 H27 N3 O2 Ru -","- C216 H216 N24 O16 Ru8 -","8","1","","Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H.","Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand","Organometallics","2010","29","3","591","","10.1021/om9009075","","","0.71073","MoKα","","0.047","0.0347","","","0.0794","0.0866","","","","","","1.108","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067486","16.623","0.003","9.0607","0.0018","24.332","0.005","90","","90","","90","","3664.8","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H30 Ge N2 O2 -","- C15 H30 Ge N2 O2 -","- C120 H240 Ge8 N16 O16 -","8","1","","Ruddy, Adam J.; Rupar, Paul A.; Bladek, Kamila J.; Allan, Christopher J.; Avery, Jessica C.; Baines, Kim M.","On the Bonding in N-Heterocyclic Carbene Complexes of Germanium(II)","Organometallics","2010","29","6","1362","","10.1021/om900977g","","x-ray","0.71073","MoKα","","0.1576","0.0819","","","0.2161","0.2604","","","","","","0.959","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067487","14.35","0.003","16.739","0.003","19.434","0.004","90","","90","","90","","4668.1","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H34 Ge N2 -","- C25 H34 Ge N2 -","- C200 H272 Ge8 N16 -","8","1","","Ruddy, Adam J.; Rupar, Paul A.; Bladek, Kamila J.; Allan, Christopher J.; Avery, Jessica C.; Baines, Kim M.","On the Bonding in N-Heterocyclic Carbene Complexes of Germanium(II)","Organometallics","2010","29","6","1362","","10.1021/om900977g","","x-ray","0.71073","MoKα","","0.0984","0.0503","","","0.1169","0.1367","","","","","","1.033","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067495","14.86958","0.00011","12.21797","0.00012","25.8649","0.0003","90","","90","","90","","4699.03","0.08","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl F6 P Pd Ru S2 -","- C19 H26 Cl F6 P Pd Ru S2 -","- C152 H208 Cl8 F48 P8 Pd8 Ru8 S16 -","8","1","","Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity","Organometallics","2010","29","5","1157","","10.1021/om900984t","","","0.71073","MoKα","","0.0213","0.0169","","","0.0367","0.0382","","","","","","1.039","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067496","14.6653","0.00011","14.08899","0.00013","26.2077","0.0005","90","","90","","90","","5415.02","0.12","125","2","125","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H36 B Cl F4 Pd Ru S2 -","- C24 H36 B Cl F4 Pd Ru S2 -","- C192 H288 B8 Cl8 F32 Pd8 Ru8 S16 -","8","1","","Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity","Organometallics","2010","29","5","1157","","10.1021/om900984t","","","0.71073","MoKα","","0.0307","0.0214","","","0.043","0.0459","","","","","","1.083","","","","has coordinates,has disorder","178565","2020-10-21","18:00:00",""
"4067519","15.55","0.003","16.818","0.004","16.818","0.004","90","","90","","90","","4398.2","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Cl N O P Pd S -","- C23 H23 Cl N O P Pd S -","- C184 H184 Cl8 N8 O8 P8 Pd8 S8 -","8","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladation ofmeta-(Diphenylthiophosphoryloxy)benzaldimines:NCSand UnexpectedNCO5,6-Membered Pincer Palladium Complexes","Organometallics","2010","29","9","2054","","10.1021/om9009894","","","0.71073","MoKα","","0.0283","0.0212","","","0.0617","0.0673","","","","","","1.001","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067523","17.726","0.01","25.649","0.014","28.124","0.015","90","","90","","90","","12787","12","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55.5 H78 Al3 Cl5 N4 Th2 -","- C55.5 H78 Al3 Cl5 N4 Th2 -","- C444 H624 Al24 Cl40 N32 Th16 -","8","1","","Korobkov, Ilia; Vidjayacoumar, Balamurugan; Gorelsky, Serge I.; Billone, Paul; Gambarotta, Sandro","Attempting to Reduce the Irreducible: Preparation of a Rare Paramagnetic Thorium Species","Organometallics","2010","29","3","692","","10.1021/om900996n","","","0.71073","MoKα","","0.1156","0.0643","","","0.1611","0.199","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067532","12.476","0.003","12.81","0.003","32.94","0.007","90","","90","","90","","5264","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cl N4 O Ti -","- C32 H27 Cl N4 O Ti -","- C256 H216 Cl8 N32 O8 Ti8 -","8","1","","Sun, Wen-Hua; Liu, Shaofeng; Zhang, Wenjuan; Zeng, Yanning; Wang, Deligeer; Liang, Tongling","Syntheses, Characterization, and the Ethylene (Co-)Polymerization Screening of 2-Benzimidazolyl-N-phenylquinoline-8-carboxamide Half-Titanocene Chlorides","Organometallics","2010","29","4","732","","10.1021/om9010033","","","0.71073","MoKα","","0.0814","0.0746","","","0.1515","0.1548","","","","","","1.255","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067576","17.3669","0.001","19.0891","0.0016","19.8608","0.0012","90","","90","","90","","6584.2","0.8","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H34 B2 F6 N6 O P Ru -","- C31 H34 B2 F6 N6 O P Ru -","- C248 H272 B16 F48 N48 O8 P8 Ru8 -","8","1","","Mutseneck, Elena V.; Reus, Christian; Schödel, Frauke; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Reactions of [Cp*RuCl]4and [(p-cymene)RuCl2]2with the Tridentate Ligand [Ph(pz)B(μ-O)(μ-pz)B(pz)Ph]−","Organometallics","2010","29","4","966","","10.1021/om901022d","","","0.71073","MoKα","","0.0444","0.033","","","0.0854","0.0895","","","","","","1.035","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067689","9.3678","0.0007","17.8334","0.0014","39.472","0.003","90","","90","","90","","6594.2","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H38 Mo P2 -","- C42 H38 Mo P2 -","- C336 H304 Mo8 P16 -","8","1","","Brown, Neil J.; Collison, David; Edge, Ruth; Fitzgerald, Emma C.; Helliwell, Madeleine; Howard, Judith A. K.; Lancashire, Hannah N.; Low, Paul J.; McDouall, Joseph J. W.; Raftery, James; Smith, Charlene A.; Yufit, Dmitry S.; Whiteley, Mark W.","Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C\τb CR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+(n= 0 or 1; R =But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)","Organometallics","2010","29","5","1261","","10.1021/om901074b","","","0.71073","MoKα","","0.1735","0.0585","","","0.0659","0.086","","","","","","0.722","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067692","19.117","0.002","27.208","0.004","55.768","0.008","90","","90","","90","","29007","7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39.38 H41 B Cl0.75 F4 Mo P2 -","- C39.375 H41 B Cl0.75 F4 Mo P2 -","- C1260 H1312 B32 Cl24 F128 Mo32 P64 -","32","4","","Brown, Neil J.; Collison, David; Edge, Ruth; Fitzgerald, Emma C.; Helliwell, Madeleine; Howard, Judith A. K.; Lancashire, Hannah N.; Low, Paul J.; McDouall, Joseph J. W.; Raftery, James; Smith, Charlene A.; Yufit, Dmitry S.; Whiteley, Mark W.","Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C\τb CR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+(n= 0 or 1; R =But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)","Organometallics","2010","29","5","1261","","10.1021/om901074b","","","0.71073","MoKα","","0.1764","0.0601","","","0.0998","0.1205","","","","","","0.782","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067725","17.318","0.0004","20.922","0.0003","24.893","0.0005","90","","90","","90","","9019.4","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49.77 H44.42 Br3.12 P2 Zn -","- C49.768 H44.42 Br3.116 P2 Zn -","- C398.144 H355.36 Br24.928 P16 Zn8 -","8","1","","MacIntosh, Ian S.; Sherren, Cody N.; Robertson, Katherine N.; Masuda, Jason D.; Pye, Cory C.; Clyburne, Jason A. C.","Isolation and Structures of Two New Organozinc Anions from Solutions Rich in Halide Ions","Organometallics","2010","29","9","2063","","10.1021/om901097r","","","0.71073","MoKα","","0.114","0.0618","","","0.1275","0.1478","","","","","","1.048","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067738","15.9177","0.0004","17.2413","0.0005","25.658","0.0007","90","","90","","90","","7041.6","0.3","170","2","170","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Cl2 Fe2 N O5 P2 S2 -","- C33 H29 Cl2 Fe2 N O5 P2 S2 -","- C264 H232 Cl16 Fe16 N8 O40 P16 S16 -","8","1","","Lounissi, Sondès; Capon, Jean-François; Gloaguen, Frédéric; Matoussi, Fatma; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean","Reactivity of [Fe2(CO)6(μ-S2)] toward a Base-Containing Diphosphine (Ph2PCH2)2NCH3: Formation of Diiron Carbonyl Compounds Having Polydentate Heterofunctionalized Phosphine (PNS = Ph2PCH2N(CH3)CH2S) and Bidentate Thiophosphinito (Ph2PS = PS) Bridges","Organometallics","2010","29","5","1296","","10.1021/om9011054","","x-ray","0.71073","MoKα","","0.072","0.0344","","","0.0769","0.0953","","","","","","1.015","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067789","12.4337","0.0001","16.8711","0.0001","19.1912","0.0001","90","","90","","90","","4025.74","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O2 Pt -","- C25 H20 N2 O2 Pt -","- C200 H160 N16 O16 Pt8 -","8","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0429","0.0271","","","0.0762","0.0797","","","","","","0.993","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067942","13.761","0.0004","17.2858","0.0005","39.9274","0.0012","90","","90","","90","","9497.5","0.5","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H62 Au2 Cl2 F12 P2 Sb2 -","- C37 H62 Au2 Cl2 F12 P2 Sb2 -","- C296 H496 Au16 Cl16 F96 P16 Sb16 -","8","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Synthesis and Structure of Dicationic, Bis(gold) π-Alkene Complexes Containing a 2,2′-Bis(phosphino)biphenyl Ligand","Organometallics","2012","31","2","768","","10.1021/om200948z","","","0.71073","MoKα","","0.0918","0.0529","","","0.1268","0.1453","","","","","","1.085","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068023","20.377","0.0019","17.9161","0.0017","33.864","0.003","90","","90","","90","","12363","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H58 B Cu O P4 -","- C67 H58 B Cu O P4 -","- C536 H464 B8 Cu8 O8 P32 -","8","1","","Ángeles Fuentes, M.; Álvarez, Eleuterio; Caballero, Ana; Pérez, Pedro J.","[(PhBP3)Cu(PPh3)] as a Surrogate of TpxCuL in Homogeneous Catalysis (PhBP3= PhB(CH2PPh2)3; Tpx= Hydrotrispyrazolylborate)","Organometallics","2012","31","3","959","","10.1021/om201016b","","","0.71073","MoKα","","0.0938","0.062","","","0.1453","0.1921","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068063","14.6381","0.0006","19.0373","0.0008","19.6577","0.0011","90","","90","","90","","5478","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H35 N Ni P2 -","- C31 H35 N Ni P2 -","- C248 H280 N8 Ni8 P16 -","8","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.1298","0.0674","","","0.1604","0.2074","","","","","","1.098","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068076","17.5094","0.0002","15.9826","0.0002","18.311","0.0002","90","","90","","90","","5124.26","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H38 F6 Os P2 -","- C23 H38 F6 Os P2 -","- C184 H304 F48 Os8 P16 -","8","1","","Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique","Formation of Osmium-Allylphosphinomethanide Complexes by Coupling of an Isopropenyldiisopropylphosphine and Monosubstituted Allenes","Organometallics","2012","31","1","440","","10.1021/om201077b","","","0.7107","MoKα","","0.0786","0.0351","","","0.0781","0.0836","","","","","","0.981","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068119","6.5876","0.001","12.473","0.003","31.209","0.006","90","","90","","90","","2564.4","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dibromo(methyl)stibine-pentacarbonyltungsten(0)","","- C6 H3 Br2 O5 Sb W -","- C6 H3 Br2 O5 Sb W -","- C48 H24 Br16 O40 Sb8 W8 -","8","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0358","0.0277","","","0.0562","0.0604","","","","","","1.115","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068128","11.8773","0.0007","13.8122","0.0009","37.927","0.002","90","","90","","90","","6222","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Cl2 O2 Si2 -","- C30 H38 Cl2 O2 Si2 -","- C240 H304 Cl16 O16 Si16 -","8","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0745","0.0452","","","0.0972","0.1059","","","","","","0.903","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068132","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068134","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068161","11.0719","0.0006","15.3825","0.0008","27.1192","0.0012","90","","90","","90","","4618.8","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H10 B F15 Si -","- C22 H10 B F15 Si -","- C176 H80 B8 F120 Si8 -","8","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0499","0.0364","","","0.0879","0.0947","","","","","","1.017","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068176","16.7924","0.0005","8.6165","0.0002","32.3673","0.001","90","","90","","90","","4683.3","0.2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H31 F N O P Pd -","- C25 H31 F N O P Pd -","- C200 H248 F8 N8 O8 P8 Pd8 -","8","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.1172","0.0713","","","0.1067","0.1221","","","","","","1.054","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068177","11.422","0.0002","20.0331","0.0005","22.3063","0.0005","90","","90","","90","","5104.08","0.19","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H32 B F5 N O P Pd -","- C25 H32 B F5 N O P Pd -","- C200 H256 B8 F40 N8 O8 P8 Pd8 -","8","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.0837","0.0641","","","0.1034","0.1102","","","","","","1.114","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068202","15.329","0.003","17.834","0.004","19.773","0.004","90","","90","","90","","5405.5","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl2 F6 N3 Ni -","- C23 H17 Cl2 F6 N3 Ni -","- C184 H136 Cl16 F48 N24 Ni8 -","8","1","","Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups","Organometallics","2012","31","3","1143","","10.1021/om201213v","","","0.71073","MoKα","","0.1011","0.0838","","","0.2099","0.2249","","","","","","1.168","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068282","19.741","0.0016","18.8899","0.0016","20.6055","0.0017","90","","90","","90","","7683.9","1.1","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H43 N2 O2 P2 Pd Rh Si2 -","- C36 H43 N2 O2 P2 Pd Rh Si2 -","- C288 H344 N16 O16 P16 Pd8 Rh8 Si16 -","8","1","","Fang, Min; Jones, Nathan D.; Friesen, Kristina; Lin, Guanyang; Ferguson, Michael J.; McDonald, Robert; Lukowski, Robert; Cavell, Ronald G.","Bimetallic, Spirocyclic, Methylene-Bridged Carbene Complexes of Rhodium and Palladium Derived by Stepwise Metalations of Lithiated Bis(diphenylphosphoranotrimethylsilylimido)methandiide","Organometallics","2009","28","6","1652","","10.1021/om8005678","","","0.71073","MoKα","","0.0631","0.0336","","","0.069","0.08","","","","","","1.031","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068308","13.081","0.002","18.575","0.003","28.996","0.005","90","","90","","90","","7045","2","100","1","100","1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 F5 Fe N2 Si -","- C38 H33 F5 Fe N2 Si -","- C304 H264 F40 Fe8 N16 Si8 -","8","1","","Volbeda, Jeroen; Meetsma, Auke; Bouwkamp, Marco W.","Electron-Deficient Iron Alkyl Complexes Supported by Diimine Ligand (Ph2CN)2C2H4: Evidence for Reversible Ethylene Binding","Organometallics","2009","28","1","209","","10.1021/om8006773","","","0.71073","MoKα","","0.1262","0.0744","","","0.195","0.2292","","","","","","1.054","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068329","9.0942","0.0005","12.9222","0.0009","30.1231","0.0014","90","","90","","90","","3540","0.4","193.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N Ti -","- C18 H29 N Ti -","- C144 H232 N8 Ti8 -","8","1","","Saeed, Irfan; Katao, Shohei; Nomura, Kotohiro","Synthesis and Structural Analysis of (Cyclopentadienyl)(pyrrolide)titanium(IV) Complexes and Their Use in Catalysis for Olefin Polymerization","Organometallics","2009","28","1","111","","10.1021/om800713t","","","0.71075","MoKα","","","0.0571","","","","0.0664","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068349","16.828","0.003","15.926","0.002","18.622","0.002","90","","90","","90","","4990.7","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 I2 N2 P Pt -","- C23 H23 I2 N2 P Pt -","- C184 H184 I16 N16 P8 Pt8 -","8","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Frison, Gilles; Marinetti, Angela","Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts","Organometallics","2009","28","1","140","","10.1021/om800743r","","","0.7107","MoKα","","0.0704","0.0409","","","0.0954","0.1111","","","","","","1.021","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068361","19.204","0.006","9.975","0.003","22.158","0.007","90","","90","","90","","4245","2","155","2","155","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Te2 U2 -","- C48 H56 Te2 U2 -","- C192 H224 Te8 U8 -","4","0.5","","Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Reductive Reactivity of the Tetravalent Uranium Complex [(η5-C5Me5)(η8-C8H8)U]2(μ-η3:η3-C8H8)","Organometallics","2009","28","1","236","","10.1021/om800747s","","","0.71073","MoKα","","0.0504","0.0328","","","0.0618","0.0665","","","","","","1.193","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068362","12.191","0.004","17.707","0.008","19.051","0.005","90","","90","","90","","4112","3","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","UCI-MKT-1","","","- C48 H56 Se2 U2 -","- C48 H56 Se2 U2 -","- C192 H224 Se8 U8 -","4","0.5","","Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Reductive Reactivity of the Tetravalent Uranium Complex [(η5-C5Me5)(η8-C8H8)U]2(μ-η3:η3-C8H8)","Organometallics","2009","28","1","236","","10.1021/om800747s","","","0.71073","MoKα","","0.0691","0.0424","","","0.0941","0.1066","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4068376","10.163","0.002","19.094","0.002","35.176","0.005","90","","90","","90","","6826","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 B2 F20 O8 -","- C30 H16 B2 F20 O8 -","- C240 H128 B16 F160 O64 -","8","1","","Lewis, Stewart P.; Chai, Jianfang; Collins, Scott; Sciarone, Timo J. J.; Henderson, Lee D.; Fan, Cheng; Parvez, Masood; Piers, Warren E.","Isobutene Polymerization Using Chelating Diboranes: Polymerization in Aqueous Suspension and Hydrocarbon Solution","Organometallics","2009","28","1","249","","10.1021/om8007629","","","0.71073","MoKα","","0.0659","0.0462","","","0.1157","0.1303","","","","","","1.024","","","","has coordinates,has disorder","178573","2020-10-21","18:00:00",""
"4068390","18.661","0.0009","19.7507","0.0009","19.8391","0.001","90","","90","","90","","7312.1","0.6","126","2","126","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H62 N P2 V -","- C36 H62 N P2 V -","- C288 H496 N8 P16 V8 -","8","1","","Kilgore, Uriah J.; Sengelaub, Caitlin A.; Fan, Hongjun; Tomaszewski, John; Karty, Jonathan A.; Baik, Mu-Hyun; Mindiola, Daniel J.","A Transient Vanadium(III) Neopentylidene Complex. Redox Chemistry and Reactivity of the VCHtBu Functionality","Organometallics","2009","28","3","843","","10.1021/om800800g","","","0.71073","MoKα","","0.0543","0.0337","","","0.0846","0.0953","","","","","","0.993","","","","has coordinates","288270","2023-12-12","22:18:42",""
"4068404","16.281","0.002","15.2933","0.0018","27.503","0.004","90","","90","","90","","6848","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N2 O3 Zn -","- C36 H52 N2 O3 Zn -","- C288 H416 N16 O24 Zn8 -","8","1","","Labourdette, Guillaume; Lee, Daniel J.; Patrick, Brian O.; Ezhova, Maria B.; Mehrkhodavandi, Parisa","Unusually Stable Chiral Ethyl Zinc Complexes: Reactivity and Polymerization of Lactide","Organometallics","2009","28","5","1309","","10.1021/om800818v","","","0.71073","MoKα","","0.1017","0.0497","","","0.0915","0.1072","","","","","","1.017","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068430","17.8194","0.0006","19.0036","0.0006","23.9586","0.0007","90","","90","","90","","8113.2","0.4","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C43 H60 B N Ni P2 -","- C43 H60 B N Ni P2 -","- C344 H480 B8 N8 Ni8 P16 -","8","1","","Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit","Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II)","Organometallics","2009","28","7","2134","","10.1021/om800840u","","","1.54178","CuKα","","0.0704","0.0524","","","0.1429","0.1566","","","","","","1.137","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068431","18.9665","0.0009","17.7718","0.0008","24.7209","0.0011","90","","90","","90","","8332.6","0.7","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C46 H58 B N Ni P2 -","- C46 H58 B N Ni P2 -","- C368 H464 B8 N8 Ni8 P16 -","8","1","","Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit","Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II)","Organometallics","2009","28","7","2134","","10.1021/om800840u","","","1.54178","CuKα","","0.0805","0.0461","","","0.1128","0.129","","","","","","0.935","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068434","18.722","0.0003","18.4056","0.0003","28.488","0.0005","90","","90","","90","","9816.7","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C54 H75 B N2 Ni P2 -","- C54 H75 B N2 Ni P2 -","- C432 H600 B8 N16 Ni8 P16 -","8","1","","Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit","Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II)","Organometallics","2009","28","7","2134","","10.1021/om800840u","","","1.54178","CuKα","","0.0761","0.0499","","","0.1306","0.1473","","","","","","1.036","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068439","14.5682","0.0005","18.4516","0.0007","26.1633","0.001","90","","90","","90","","7032.9","0.4","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Cl N3 Pd -","- C36 H48 Cl N3 Pd -","- C288 H384 Cl8 N24 Pd8 -","8","1","","Kantchev, Eric Assen B.; Ying, Jackie Y.","Practical One-Pot, Three-Component Synthesis of N-Heterocyclic Carbene (NHC) Ligated Palladacycles Derived fromN,N-Dimethylbenzylamine","Organometallics","2009","28","1","289","","10.1021/om8008475","","","0.71073","MoKα","","0.0956","0.0671","","","0.1374","0.1495","","","","","","1.142","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068444","22.1198","0.0007","18.1254","0.0006","37.6542","0.0013","90","","90","","90","","15096.7","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.5 H52 Cl N3 O2 Pd -","- C38.5 H52 Cl N3 O2 Pd -","- C616 H832 Cl16 N48 O32 Pd16 -","16","2","","Kantchev, Eric Assen B.; Ying, Jackie Y.","Practical One-Pot, Three-Component Synthesis of N-Heterocyclic Carbene (NHC) Ligated Palladacycles Derived fromN,N-Dimethylbenzylamine","Organometallics","2009","28","1","289","","10.1021/om8008475","","","0.71073","MoKα","","0.0614","0.046","","","0.1048","0.1125","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068450","14.021","0.0002","15.7391","0.0002","25.84","0.0003","90","","90","","90","","5702.32","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Fe P2 S Se -","- C30 H36 Fe P2 S Se -","- C240 H288 Fe8 P16 S8 Se8 -","8","1","","Kahn, Sarah L.; Breheney, Meghan K.; Martinak, Sarah L.; Fosbenner, Stephanie M.; Seibert, Ashley R.; Kassel, W. Scott; Dougherty, William G.; Nataro, Chip","Synthesis, Characterization, and Electrochemistry of Compounds Containing 1-Diphenylphosphino-1′-(di-tert-butylphosphino)ferrocene (dppdtbpf)","Organometallics","2009","28","7","2119","","10.1021/om800850c","","","1.54178","CuKα","","0.0531","0.0473","","","0.1339","0.1392","","","","","","1.032","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068468","17.029","0.0009","17.1007","0.0009","20.1939","0.0011","90","","90","","90","","5880.6","0.5","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H46 N4 P2 Si3 Zr -","- C17 H46 N4 P2 Si3 Zr -","- C136 H368 N32 P16 Si24 Zr8 -","8","1","","Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate","Organometallics","2009","28","2","573","","10.1021/om8008684","","","0.71073","MoKα","","0.0407","0.0283","","","0.064","0.0712","","","","","","1.054","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068471","16.8829","0.0009","17.5894","0.001","20.3466","0.0011","90","","90","","90","","6042.1","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N4 P Si3 Zr -","- C21 H51 N4 P Si3 Zr -","- C168 H408 N32 P8 Si24 Zr8 -","8","1","","Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate","Organometallics","2009","28","2","573","","10.1021/om8008684","","","0.71073","MoKα","","0.0603","0.032","","","0.0649","0.0746","","","","","","1.007","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068495","17.1048","0.001","13.3897","0.001","18.552","0.002","90","","90","","90","","4248.9","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Cl2 N Ni P -","- C23 H18 Cl2 N Ni P -","- C184 H144 Cl16 N8 Ni8 P8 -","8","1","","Flapper, Jitte; Kooijman, Huub; Lutz, Martin; Spek, Anthony L.; van Leeuwen, Piet W. N. M.; Elsevier, Cornelis J.; Kamer, Paul C. J.","Nickel and Palladium Complexes of Pyridine−Phosphine Ligands as Ethene Oligomerization Catalysts","Organometallics","2009","28","4","1180","","10.1021/om800903n","","","0.71073","MoKα","","0.0307","0.0247","","","0.0584","0.0609","","","","","","1.035","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068508","16.1222","0.0019","17.089","0.002","32.257","0.004","90","","90","","90","","8887.2","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Cl8 O Os P4 -","- C34 H48 Cl8 O Os P4 -","- C272 H384 Cl64 O8 Os8 P32 -","8","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping","Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex","Organometallics","2009","28","4","1101","","10.1021/om800907v","","","0.71073","MoKα","","0.0817","0.0424","","","0.0743","0.0816","","","","","","1.008","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068591","11.6306","0.001","20.3394","0.0018","26.673","0.002","90","","90","","90","","6309.7","0.9","100","2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 F6 Ir N5 P -","- C29 H37 F6 Ir N5 P -","- C232 H296 F48 Ir8 N40 P8 -","8","1","","Torres, Olga; Martín, Marta; Sola, Eduardo","LabileN-Heterocyclic Carbene Complexes of Iridium","Organometallics","2009","28","3","863","","10.1021/om800965y","","","0.71073","MoKα","","0.0895","0.0361","","","0.0668","0.0748","","","","","","0.803","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068640","11.243","0.004","12.036","0.004","20.389","0.007","90","","90","","90","","2759.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 S2 Si4 -","- C20 H36 S2 Si4 -","- C80 H144 S8 Si16 -","4","0.5","","Wu, Wei; Xu, Li; Shi, Jianwu; Qin, Xiling; Wang, Hua","“One-Pot” Reaction Involving Ring Formation of Silole, Thiophene Ring-Opening Alkynylation, and S−S Coupling","Organometallics","2009","28","6","1961","","10.1021/om800994x","","","0.71073","MoKα","","0.0394","0.0315","","","0.0914","0.0967","","","","","","1.018","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068655","14.568","0.0001","20.7786","0.0001","25.2384","0.0002","90","","90","","90","","7639.73","0.09","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl-[1-(1,3-dimesityl-terahydro-1,3,2-diazophospholenyl)- 2-(2',3',4',5'-tetraethylphospholyl)-1-imino-prop-1-en]-tungsten(0)","","- C38 H49 N3 O4 P2 W -","- C38 H49 N3 O4 P2 W -","- C304 H392 N24 O32 P16 W8 -","8","1","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin","Cleavage of Polarized P−P Bonds in N-Heterocyclic Diphosphines in Reactions with Metal Olefin Complexes","Organometallics","2009","28","5","1447","","10.1021/om801008s","","","0.71073","MoKα","","0.0329","0.0237","","","0.0573","0.0599","","","","","","1.038","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068669","16.5242","0.0002","17.2471","0.0002","18.535","0.0002","90","","90","","90","","5282.37","0.11","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","pentacarbonyl[4-bis(trimethylsilyl)methyl-5-methyl-2-phenyl- 1,3,4-oxazaphosphol-2-ene -κP)Tungsten(0)","","- C21 H28 N O6 P Si2 W -","- C21 H28 N O6 P Si2 W -","- C168 H224 N8 O48 P8 Si16 W8 -","8","1","","Helten, Holger; Pérez, Janaina Marinas; Daniels, Jörg; Streubel, Rainer","First Brønsted Acid-Induced Ring Expansion of an Oxaphosphirane Complex: A Combined Experimental and DFT Study","Organometallics","2009","28","4","1221","","10.1021/om8010245","","x-ray","0.71073","MoKα","","0.0276","0.0201","","","0.0449","0.047","","","","","","1.057","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068685","11.1269","0.0007","17.6285","0.0011","29.3704","0.0018","90","","90","","90","","5761","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 N O P -","- C36 H34 N O P -","- C288 H272 N8 O8 P8 -","8","1","","Wheaton, Craig A.; Ireland, Benjamin J.; Hayes, Paul G.","Activated Zinc Complexes Supported by a Neutral, Phosphinimine-Containing Ligand: Synthesis and Efficacy for the Polymerization of Lactide","Organometallics","2009","28","5","1282","","10.1021/om801034k","","","0.71073","MoKα","","0.0657","0.0486","","","0.1115","0.1202","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068710","16.5532","0.0011","14.9054","0.0011","22.7847","0.0018","90","","90","","90","","5621.7","0.7","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 O3 Si -","- C36 H30 N2 O3 Si -","- C288 H240 N16 O24 Si8 -","8","1","","Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg","Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems","Organometallics","2009","28","2","621","","10.1021/om801049q","","","0.71073","MoKα","","0.0813","0.0427","","","0.0942","0.1025","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068712","18.6908","0.0004","17.3692","0.0004","19.7167","0.0005","90","","90","","90","","6400.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H32 N2 O4 Si -","- C40 H32 N2 O4 Si -","- C320 H256 N16 O32 Si8 -","8","1","","Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg","Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems","Organometallics","2009","28","2","621","","10.1021/om801049q","","","0.71073","MoKα","","0.0629","0.0389","","","0.1098","0.1205","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068726","14.7085","0.0002","25.8794","0.0003","27.7465","0.0005","90","","90","","90","","10561.6","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62.5 H61.5 Cl2 N2 O2 Zr -","- C62.5 H61.5 Cl2 N2 O2 Zr -","- C500 H492 Cl16 N16 O16 Zr8 -","8","1","","Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe","C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization","Organometallics","2009","28","5","1391","","10.1021/om801058w","","","0.71073","MoKα","","0.0759","0.0436","","","0.0984","0.1135","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068761","8.1718","0.0005","15.3049","0.0009","25.0661","0.0016","90","","90","","90","","3135","0.3","198","2","198","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cu F3 O3 S -","- C13 H18 Cu F3 O3 S -","- C104 H144 Cu8 F24 O24 S8 -","8","1","","Bellott, Brian J.; Girolami, Gregory S.","Structures and Properties of Copper Alkene Complexes. Preorganization Effects and the Binding of Different Isomers of Cyclododecatriene to Copper Triflate","Organometallics","2009","28","7","2046","","10.1021/om801078c","","","0.71073","MoKα","","0.1322","0.0519","","","0.1404","0.1676","","","","","","0.936","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4068788","16.0309","0.0003","19.9759","0.0004","23.0604","0.0005","90","","90","","90","","7384.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Ca N8 O -","- C32 H56 B2 Ca N8 O -","- C256 H448 B16 Ca8 N64 O8 -","8","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination","Organometallics","2009","28","6","1730","","10.1021/om8010933","","","0.71073","MoKα","","0.1067","0.0609","","","0.1191","0.141","","","","","","1.066","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4068831","21.962","0.002","11.9097","0.0014","21.964","0.002","90","","90","","90","","5744.9","1","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 F12 N3 O2 W -","- C22 H31 F12 N3 O2 W -","- C176 H248 F96 N24 O16 W8 -","8","1","","Beer, Stephan; Brandhorst, Kai; Hrib, Cristian G.; Wu, Xian; Haberlag, Birte; Grunenberg, Jörg; Jones, Peter G.; Tamm, Matthias","Experimental and Theoretical Investigations of Catalytic Alkyne Cross-Metathesis with Imidazolin-2-iminato Tungsten Alkylidyne Complexes","Organometallics","2009","28","5","1534","","10.1021/om801119t","","","0.71073","MoKα","","0.0565","0.0264","","","0.0536","0.0672","","","","","","1.131","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068852","11.598","0.0001","41.183","0.0003","17.635","0.0001","90","","90","","90","","8423.19","0.11","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 N2 P4 Pd2 S2 -","- C38 H58 N2 P4 Pd2 S2 -","- C304 H464 N16 P32 Pd16 S16 -","8","1","","Mizuta, Tsutomu; Tanaka, Nobuyuki; Iwakuni, Yukiko; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Synthesis and Reactivity of Five-Membered P(V)-Phosphapalladacycles","Organometallics","2009","28","9","2808","","10.1021/om801130f","","","0.71069","MoKα","","0.0336","0.033","","","0.0863","0.0867","","","","","","1.145","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068903","20.738","0.0001","21.022","0.0001","24.952","0.0002","90","","90","","90","","10877.9","0.11","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 B F4 N4 O2 Ru -","- C55 H74 B F4 N4 O2 Ru -","- C440 H592 B8 F32 N32 O16 Ru8 -","8","1","","Saker, Olly; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Sequential Formation of [Ru(IPr)2(CO)H(OH2)]+and [Ru(IPr)(η6-C6H6)(CO)H]+upon Protonation of Ru(IPr)2(CO)H(OH) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2009","28","6","1976","","10.1021/om801150v","","","0.71073","MoKα","","0.0531","0.0335","","","0.0846","0.0945","","","","","","1.041","","","","has coordinates,has disorder","178579","2020-10-21","18:00:00",""
"4068984","16.168","0.003","20.182","0.007","21.656","0.009","90","","90","","90","","7066","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H62 B2 O P2 Pb Si4 -","- C22 H62 B2 O P2 Pb Si4 -","- C176 H496 B16 O8 P16 Pb8 Si32 -","8","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Seven-Membered Cyclic Dialkylstannylene and -Plumbylene Compounds Stabilized by Agostic-type B−H···E Interactions [E = Sn, Pb]","Organometallics","2009","28","7","2211","","10.1021/om801189h","","","0.71073","MoKα","","0.0718","0.0302","","","0.0493","0.0623","","","","","","1.053","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069030","20.6532","0.0002","14.3925","0.0002","22.6067","0.0003","90","","90","","90","","6719.87","0.14","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C38 H45 O Si Ti -","- C38 H45 O Si Ti -","- C304 H360 O8 Si8 Ti8 -","8","1","","Varga, Vojtech; Císařová, Ivana; Gyepes, Róbert; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Evaluation of the Oxygen π-Donation in Permethyltitanocene Silanolates and Alcoholates","Organometallics","2009","28","6","1748","","10.1021/om801209f","","","0.71073","MoKα","","0.0659","0.0422","","","0.1026","0.1168","","","","","","1.035","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069046","17.9155","0.0002","16.2092","0.0003","33.7381","0.0005","90","","90","","90","","9797.4","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H24.5 B F24.5 Fe N O2 -","- C49 H24.5 B F24.5 Fe N O2 -","- C392 H196 B8 F196 Fe8 N8 O16 -","8","1","","Pierce, Glesni A.; Vidovic, Dragoslav; Kays, Deborah L.; Coombs, Natalie D.; Thompson, Amber L.; Jemmis, Eluvathingal D.; De, Susmita; Aldridge, Simon","Half-Sandwich Group 8 Borylene Complexes: Synthetic and Structural Studies and Oxygen Atom Abstraction Chemistry","Organometallics","2009","28","10","2947","","10.1021/om801215b","","","0.71073","MoKα","","0.1229","0.0657","","","0.1599","0.1883","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069095","15.389","0.003","12.589","0.002","31.151","0.006","90","","90","","90","","6034.9","1.9","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H51 F6 Ni O P3 -","- C24 H51 F6 Ni O P3 -","- C192 H408 F48 Ni8 O8 P24 -","8","1","","Curley, John J.; Kitiachvili, Kristina D.; Waterman, Rory; Hillhouse, Gregory L.","Sequential Insertion Reactions of Carbon Monoxide and Ethylene into the Ni−C Bond of a Cationic Nickel(II) Alkyl Complex","Organometallics","2009","28","8","2568","","10.1021/om900023y","","","0.71073","MoKα","","0.0918","0.0602","","","0.1065","0.1175","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069106","12.023","0.002","14.893","0.003","15.451","0.003","90","","90","","90","","2766.6","0.9","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","intermediate (R,S)-4","","","- C16 H16 O2 P -","- C16 H16 O2 P -","- C128 H128 O16 P8 -","8","1","","Ranocchiari, Marco; Mezzetti, Antonio","PNNP Macrocycles: A New Class of Ligands for Asymmetric Catalysis","Organometallics","2009","28","5","1286","","10.1021/om900028w","","","0.71073","MoKα","","0.103","0.0593","","","0.1092","0.1251","","","","","","1.004","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069144","24.3432","0.0005","10.3495","0.0005","27.6545","0.0006","90","","90","","90","","6967.3","0.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BSWV014_5","BSWV014_5","","- C17 H30 N2 Pt -","- C17 H30 N2 Pt -","- C272 H480 N32 Pt16 -","16","2","","Scheuermann, Margaret L.; Rheingold, Arnold L.; Williams, B. Scott","Reversible Carbonylation of an [NCN]PtMe Pincer Complex and Direct Evidence of Alkyl Migration","Organometallics","2009","28","6","1613","","10.1021/om900050p","","","0.71073","MoKα","","0.1064","0.0582","","","0.1275","0.1493","","","","","","1.005","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069179","10.333","0.001","18.871","0.001","43.48","0.001","90","","90","","90","","8478.3","1","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H58 P2 Pt Si4 -","- C38 H58 P2 Pt Si4 -","- C304 H464 P16 Pt8 Si32 -","8","1","","Blug, Matthias; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal","A 14-VE Platinum(0) Phosphabarrelene Complex in the Hydrosilylation of Alkynes","Organometallics","2009","28","8","2360","","10.1021/om900067f","","","0.71069","MoKα","","0.0773","0.0372","","","0.0689","0.0827","","","","","","0.995","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069234","15.424","0.003","14.16","0.003","20.899","0.004","90","","90","","90","","4564.4","1.6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H23 Br3 O Si Ti2 -","- C20 H23 Br3 O Si Ti2 -","- C160 H184 Br24 O8 Si8 Ti16 -","8","1","","Luo, Shuang; Shen, Bo; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis, Structures, and Polymerization Catalytic Properties of Doubly Bridged Bis(cyclopentadienyl) Dinuclear (μ-Oxo)titanium Complexes","Organometallics","2009","28","10","3109","","10.1021/om900089w","","","0.71073","MoKα","","0.0789","0.0607","","","0.1278","0.1358","","","","","","1.143","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069243","13.825","0.005","7.234","0.003","14.469","0.005","90","","90","","90","","1447","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 F2 O2 -","- C8 H6 F2 O2 -","- C64 H48 F16 O16 -","8","1","","Buckley, Heather L.; Wang, Tongen; Tran, Olivia; Love, Jennifer A.","Selective Platinum-Catalyzed C−F Bond Activation as a Route to Fluorinated Aryl Methyl Ethers","Organometallics","2009","28","8","2356","","10.1021/om900100f","","","0.71073","MoKα","","0.0617","0.0414","","","0.098","0.1135","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4069285","11.12668","0.00015","19.9661","0.0004","30.5895","0.0004","90","","90","","90","","6795.65","0.19","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Hf Si4 -","- C30 H46 Hf Si4 -","- C240 H368 Hf8 Si32 -","8","1","","Burlakov, Vladimir V.; Beweries, Torsten; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Petrovskii, Pavel V.; Spannenberg, Anke; Lyssenko, Konstantin A.; Shur, Vladimir B.; Rosenthal, Uwe","Synthesis and Isolation of Di-n-butylhafnocene and Its Application as a Versatile Starting Material for the Synthesis of New Hafnacycles","Organometallics","2009","28","9","2864","","10.1021/om900122w","","","0.71073","MoKα","","0.0298","0.0195","","","0.0429","0.0446","","","","","","0.925","","","","has coordinates,has disorder","178581","2020-10-21","18:00:00",""
"4069301","8.8346","0.0003","17.5078","0.0007","35.1424","0.0014","90","","90","","90","","5435.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H46 N2 Zr -","- C29 H46 N2 Zr -","- C232 H368 N16 Zr8 -","8","1","","Epshteyn, Albert; Trunkely, Emily F.; Kissounko, Denis A.; Fettinger, James C.; Sita, Lawrence R.","Experimental Modeling of Selective Alkene Oligomerization: Evidence for Facile Metallacyclopentane Dehydrogenation Mediated by a Transannular β-Hydrogen Agostic Interaction","Organometallics","2009","28","8","2520","","10.1021/om900132u","","","0.71073","MoKα","","0.0496","0.0307","","","0.0729","0.0799","","","","","","1.053","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069307","18.2607","0.0014","16.5765","0.0012","18.3346","0.0014","90","","90","","90","","5549.9","0.7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H50 N2 Th -","- C29 H50 N2 Th -","- C232 H400 N16 Th8 -","8","1","","Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.; Rheingold, Arnold L.","Insertion of Carbodiimides and Organic Azides into Actinide−Carbon Bonds","Organometallics","2009","28","12","3350","","10.1021/om900135e","","","0.71073","MoKα","","0.0356","0.0195","","","0.0408","0.0469","","","","","","1.064","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069308","16.5291","0.0012","18.1347","0.0014","18.3817","0.0014","90","","90","","90","","5509.9","0.7","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H50 N2 U -","- C29 H50 N2 U -","- C232 H400 N16 U8 -","8","1","","Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.; Rheingold, Arnold L.","Insertion of Carbodiimides and Organic Azides into Actinide−Carbon Bonds","Organometallics","2009","28","12","3350","","10.1021/om900135e","","","0.71073","MoKα","","0.0336","0.0233","","","0.056","0.0617","","","","","","1.051","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069371","24.014","0.006","31.496","0.008","35.049","0.009","90","","90","","90","","26509","12","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C100 H92 Cl8 F12 Ir4 N8 O16 S4 -","- C100 H92 Cl8 F12 Ir4 N8 O16 S4 -","- C800 H736 Cl64 F96 Ir32 N64 O128 S32 -","8","1","","Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin","Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers","Organometallics","2009","28","12","3459","","10.1021/om900160t","","","0.71073","MoKα","","0.1845","0.0993","","","0.2493","0.2833","","","","","","0.885","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069372","24.131","0.017","31.7","0.02","35.12","0.02","90","","90","","90","","26865","3","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C100 H92 Br4 Cl4 F12 Ir4 N8 O16 S4 -","- C100 H92 Br4 Cl4 F12 Ir4 N8 O16 S4 -","- C800 H736 Br32 Cl32 F96 Ir32 N64 O128 S32 -","8","1","","Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin","Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers","Organometallics","2009","28","12","3459","","10.1021/om900160t","","","0.71073","MoKα","","0.172","0.0807","","","0.1795","0.2109","","","","","","0.872","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069535","12.6706","0.0003","9.6392","0.0002","17.766","0.0004","90","","90","","90","","2169.84","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H11 Br2 N Pt -","- C8 H11 Br2 N Pt -","- C64 H88 Br16 N8 Pt8 -","8","1","","Dub, Pavel A.; Rodriguez-Zubiri, Mireia; Daran, Jean-Claude; Brunet, Jean-Jacques; Poli, Rinaldo","Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates","Organometallics","2009","28","16","4764","","10.1021/om9002494","","","0.71073","MoKα","","0.0638","0.0491","","","0.155","0.1771","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069570","15.8426","0.0009","16.7783","0.001","20.2915","0.0012","90","","90","","90","","5393.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cr O4 P2 -","- C30 H24 Cr O4 P2 -","- C240 H192 Cr8 O32 P16 -","8","1","","Dulai, Arminderjit; de Bod, Henriëtte; Hanton, Martin J.; Smith, David M.; Downing, Stephen; Mansell, Stephen M.; Wass, Duncan F.","C-Substituted Bis(diphenylphosphino)methane-Type Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions","Organometallics","2009","28","15","4613","","10.1021/om900285e","","","0.71073","MoKα","","0.084","0.0453","","","0.0849","0.0973","","","","","","0.97","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069626","9.2523","0.0008","17.8946","0.0013","24.368","0.0017","90","","90","","90","","4034.5","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H33 N O2 W -","- C20 H33 N O2 W -","- C160 H264 N8 O16 W8 -","8","1","","Semproni, Scott P.; Graham, Peter M.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter","Toward Alkane Functionalization Effected with Cp*W(NO)(alkyl)(η3-allyl) Complexes","Organometallics","2009","28","15","4480","","10.1021/om900307p","","","0.71073","MoKα","","0.0464","0.0264","","","0.0574","0.0666","","","","","","1.043","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069651","13.86","0.003","15.713","0.003","18.749","0.004","90","","90","","90","","4083.2","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Cl O2 Ru -","- C22 H25 Cl O2 Ru -","- C176 H200 Cl8 O16 Ru8 -","8","1","","Xu, Kun; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of Dihydrooctamethyl-s-indacene and 1,2,3,4,7-Pentamethylindene with Ru3(CO)12: Intramolecular sp3C−H Activation","Organometallics","2009","28","15","4438","","10.1021/om900337h","","","0.71073","MoKα","","0.0786","0.0595","","","0.1389","0.1512","","","","","","1.069","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069677","13.2123","0.0011","16.6245","0.0014","23.926","0.002","90","","90","","90","","5255.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Cl3 N3 O2 Rh -","- C26 H27 Cl3 N3 O2 Rh -","- C208 H216 Cl24 N24 O16 Rh8 -","8","1","","Yadav, Mahendra; Singh, Ashish Kumar; Pandey, Daya Shankar","First Examples of Heteroleptic Dipyrrin/η5-Pentamethylcyclopentadienyl Rhodium/Iridium(III) Complexes and Their Catalytic Activity","Organometallics","2009","28","16","4713","","10.1021/om900349v","","","0.71073","MoKα","","0.044","0.0385","","","0.0969","0.1013","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069686","33.7082","0.001","10.004","0.0003","37.0802","0.0017","90","","90","","90","","12504.1","0.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H36 Cl3 N2 O2 P Ru -","- C31 H32 Cl3 N2 O2 P Ru -","- C496 H512 Cl48 N32 O32 P16 Ru16 -","16","2","","Gandolfi, Claudio; Heckenroth, Marion; Neels, Antonia; Laurenczy, Gábor; Albrecht, Martin","Chelating NHC Ruthenium(II) Complexes as Robust Homogeneous Hydrogenation Catalysts","Organometallics","2009","28","17","5112","","10.1021/om900356w","","","0.71073","MoKα","","0.1083","0.0724","","","0.1845","0.2015","","","","","","1.074","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069692","13.6056","0.0002","15.4198","0.0002","17.3531","0.0003","90","","90","","90","","3640.6","0.1","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N2 Zr -","- C18 H24 Cl2 N2 Zr -","- C144 H192 Cl16 N16 Zr8 -","8","1","","Tumay, Tülay Aslı; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of an Amino-Functionalizedansa-Zirconocene by Intramolecular Photochemical Enamine [2+2]Cycloaddition","Organometallics","2009","28","15","4513","","10.1021/om9003576","","","0.71073","MoKα","","0.0576","0.0342","","","0.0728","0.0817","","","","","","1.02","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069767","20.7811","0.0004","21.3554","0.0004","22.55","0.0005","90","","90","","90","","10007.4","0.3","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H40 Cl2 Fe2 O5 P2 S2 -","- C53 H38 Fe2 O5 P2 S2 -","- C424 H304 Fe16 O40 P16 S16 -","8","1","","Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle L.","Oxidative Addition of Thioesters to Iron(0): Active-Site Models for Hmd, Nature’s Third Hydrogenase","Organometallics","2009","28","13","3618","","10.1021/om9004059","","","0.71073","MoKα","","0.0785","0.0363","","","0.0639","0.0707","","","","","","0.85","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069769","16.303","0.003","15.896","0.003","18.185","0.004","90","","90","","90","","4712.7","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl N O3 P2 Ru -","- C18 H32 Cl N O3 P2 Ru -","- C144 H256 Cl8 N8 O24 P16 Ru8 -","8","1","","Salem, Hiyam; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands. Reactivity toward Water and Electrophiles","Organometallics","2009","28","16","4791","","10.1021/om9004077","","","0.71073","MoKα","","0.0567","0.0356","","","0.0685","0.0735","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069806","17.378","0.003","14.1396","0.0018","18.736","0.003","90","","90","","90","","4603.8","1.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Cl2 Fe N P Pd -","- C24 H24 Cl2 Fe N P Pd -","- C192 H192 Cl16 Fe8 N8 P8 Pd8 -","8","1","","Metallinos, Costa; Zaifman, Josh; Van Belle, Lori; Dodge, Laura; Pilkington, Melanie","Palladium(II), Platinum(II), and Iridium(I) Complexes of 2-Phosphino-1-dimethylaminoferrocenes: A Survey of Structure and Catalysis","Organometallics","2009","28","15","4534","","10.1021/om900422t","","","0.71073","MoKα","","0.0411","0.0324","","","0.0831","0.0888","","","","","","1.055","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069819","8.193","0.01","17.064","0.017","22.8","0.03","90","","90","","90","","3188","7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 I2 N2 -","- C13 H16 I2 N2 -","- C104 H128 I16 N16 -","8","1","","Nagai, Yusuke; Kochi, Takuya; Nozaki, Kyoko","Synthesis of N-Heterocyclic Carbene-Sulfonate Palladium Complexes","Organometallics","2009","28","20","6131","","10.1021/om9004252","","","0.7107","MoKα","","0.0529","0.0499","","","0.1311","0.1362","","","","","","1.065","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069825","16.9705","0.0016","15.8089","0.0015","23.901","0.002","90","","90","","90","","6412.3","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H43 N5 O Ti -","- C36 H43 N5 O Ti -","- C288 H344 N40 O8 Ti8 -","8","1","","Weitershaus, Katharina; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Reactions of Titanium Hydrazinediido Complexes with Unsaturated Organic Substrates","Organometallics","2009","28","16","4747","","10.1021/om900428d","","x-ray","0.71073","MoKα","","0.0813","0.0448","","","0.1048","0.1376","","","","","","1.136","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069884","14.1972","0.0014","10.9105","0.0011","36.276","0.004","90","","90","","90","","5619.1","1","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H31 B Cl3 F3 N2 O3 S -","- C25 H31 B Cl3 F3 N2 O3 S -","- C200 H248 B8 Cl24 F24 N16 O24 S8 -","8","1","","Matsumoto, Takeshi; Gabbaï, François P.","A Borenium Cation Stabilized by an N-Heterocyclic Carbene Ligand","Organometallics","2009","28","15","4252","","10.1021/om900476g","","","0.71073","MoKα","","0.0787","0.0725","","","0.1546","0.1581","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070009","20.028","0.002","19.667","0.002","22.925","0.003","90","","90","","90","","9029.9","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H61 Cu N4 -","- C52 H61 Cu N4 -","- C416 H488 Cu8 N32 -","8","1","","Iluc, Vlad M.; Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis of Bis(phosphine) and N-Heterocyclic Carbene Supported α- Diazoalkyl Complexes of Copper(I)","Organometallics","2009","28","20","6135","","10.1021/om900566k","","","0.71073","MoKα","","0.0584","0.0414","","","0.0973","0.1016","","","","","","0.929","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070016","11.447","0.002","10.947","0.002","35.508","0.007","90","","90","","90","","4449.5","1.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl2 N O Pd Se2 -","- C19 H17 Cl2 N O Pd Se2 -","- C152 H136 Cl16 N8 O8 Pd8 Se16 -","8","1","","Das, Dipanwita; Rao, G. K.; Singh, Ajai K.","Palladium(II) Complexes of the First Pincer (Se,N,Se) Ligand, 2,6-Bis((phenylseleno)methyl)pyridine (L): Solvent-Dependent Formation of [PdCl(L)]Cl and Na[PdCl(L)][PdCl4] and High Catalytic Activity for the Heck Reaction","Organometallics","2009","28","20","6054","","10.1021/om900570g","","","0.71073","MoKα","","0.0665","0.0452","","","0.1157","0.1241","","","","","","1.128","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070018","13.699","0.003","21.795","0.004","29.394","0.006","90","","90","","90","","8776","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Fe2 O7 Se2 -","- C9 H6 Fe2 O7 Se2 -","- C216 H144 Fe48 O168 Se48 -","24","3","","Song, Li-Cheng; Gao, Wei; Feng, Cui-Ping; Wang, De-Fu; Hu, Qing-Mei","Investigations on Synthesis, Structure, and Properties of New Butterfly [2Fe2Se] Cluster Complexes Relevant to Active Sites of Some Hydrogenases","Organometallics","2009","28","20","6121","","10.1021/om900572t","","","0.71073","MoKα","","0.0498","0.0372","","","0.0798","0.0861","","","","","","1.046","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070059","12.718","0.003","13.779","0.003","31.857","0.006","90","","90","","90","","5583","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 Mo O3 P -","- C34 H25 Mo O3 P -","- C272 H200 Mo8 O24 P8 -","8","1","","Yan, Xiaoyu; Yu, Bingran; Wang, Lan; Tang, Ning; Xi, Chanjuan","Reactivity of [(2-Phosphino)ethenyl]zirconocene Chloride toward CpM(CO)3Cl (M = Mo, W): Formation of [(3-Phosphino)propenoyl]dicarbonyl(cyclopentadienyl)metal, {CpM(CO)2[(CO)CR═CRPPh2]}","Organometallics","2009","28","23","6827","","10.1021/om900595w","","","0.71073","MoKα","","","0.0386","","","0.1094","0.1143","","","","","","1.148","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070060","12.653","0.003","13.805","0.003","31.852","0.006","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H27 Cl0 O3 P W -","- C35 H27 O3 P W -","- C280 H216 O24 P8 W8 -","8","1","","Yan, Xiaoyu; Yu, Bingran; Wang, Lan; Tang, Ning; Xi, Chanjuan","Reactivity of [(2-Phosphino)ethenyl]zirconocene Chloride toward CpM(CO)3Cl (M = Mo, W): Formation of [(3-Phosphino)propenoyl]dicarbonyl(cyclopentadienyl)metal, {CpM(CO)2[(CO)CR═CRPPh2]}","Organometallics","2009","28","23","6827","","10.1021/om900595w","","","0.71073","MoKα","","","0.0549","","","0.1053","0.1106","","","","","","1.348","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070075","19.3458","0.0011","19.1334","0.0011","22.8051","0.0012","90","","90","","90","","8441.3","0.8","150","","150","1","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C33 H30 Mo2 O13 P2 S3 W3 -","- C33 H30 Mo2 O13 P2 S3 W3 -","- C264 H240 Mo16 O104 P16 S24 W24 -","8","1","","Gröger, Christian; Kubicki, Marek M.; Meier, Walter; Pronold, Michael; Wachter, Joachim; Zabel, Manfred","Isomerism and Ligand Rearrangement within thecyclo-P2S3Middle Deck in Dimolybdenum Triple-Decker Complexes","Organometallics","2009","28","19","5633","","10.1021/om900600t","","x-ray","0.71073","MoKα","","0.0675","0.032","","","0.0411","0.0456","","","","","","0.929","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070094","13.349","0.0018","16.51","0.003","25.716","0.004","90","","90","","90","","5667.6","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H33 N2 P S2 -","- C32 H33 N2 P S2 -","- C256 H264 N16 P8 S16 -","8","1","","Ménard, Gabriel; Jong, Howard; Fryzuk, Michael D.","Synthesis and Characterization of a New Thiophene-Bridged Diamidophosphine [NPN] Donor Set and Its Coordination Chemistry with Zirconium(IV): Unexpected Deprotonation−Lithiation Sequence with a Mesitylaminothiophene Precursor","Organometallics","2009","28","17","5253","","10.1021/om900612n","","","0.71073","MoKα","","0.0575","0.0373","","","0.0949","0.107","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070135","20.593","0.004","21.515","0.004","23.63","0.005","90","","90","","90","","10469","4","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.72 H75.44 Cl3.12 N4 O3.29 Pd -","- C48.723 H75.446 Cl3.158 N4 O3.286 Pd -","- C389.784 H603.568 Cl25.264 N32 O26.288 Pd8 -","8","1","","Kong, Yong; Ren, Hongping; Xu, Shansheng; Song, Haibin; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Palladium Complexes","Organometallics","2009","28","20","5934","","10.1021/om900625r","","","0.71073","MoKα","","0.0448","0.0373","","","0.0923","0.0981","","","","","","1.027","","","","has coordinates,has disorder","178590","2020-10-21","18:00:00",""
"4070166","14.314","0.002","14.844","0.002","27.886","0.004","90","","90","","90","","5925.1","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H38 B2 F4 N7 Os P -","- C25 H38 B2 F4 N7 Os P -","- C200 H304 B16 F32 N56 Os8 P8 -","8","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; Fuertes, Sara; López, Ana M.; Mozo, Silvia; Oñate, Enrique","Olefin−Alkylidene Equilibrium of 2-Vinylpyridine in Osmium- and Ruthenium-Hydrido-Tris(pyrazolyl)borate and Osmium-Cyclopentadienyl Complexes","Organometallics","2009","28","20","5941","","10.1021/om900635p","","","0.71073","MoKα","","0.0903","0.0552","","","0.1014","0.1124","","","","","","1.034","","","","has coordinates,has disorder","178590","2020-10-21","18:00:00",""
"4070194","9.626","0.003","20.068","0.006","27.951","0.009","90","","90","","90","","5399","3","103.15","","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H29 B N2 P2 -","- C32 H29 B N2 P2 -","- C256 H232 B8 N16 P16 -","8","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0891","0.0863","","","0.1943","0.1963","","","","","","1.28","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070219","16.311","0.001","17.109","0.001","19.404","0.001","90","","90","","90","","5415","0.5","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H74 Cl6 P2 Pd -","- C52 H74 Cl6 P2 Pd -","- C208 H296 Cl24 P8 Pd4 -","4","0.5","","Houdard, Romaric; Mézailles, Nicolas; Le Goff, Xavier-Frederic; Le Floch, Pascal","Platinum(0)-Catalyzed Intramolecular Addition of a C−H Bond onto the P═C Bond of a Phosphaalkene","Organometallics","2009","28","20","5952","","10.1021/om9006664","","","0.71069","MoKα","","0.0985","0.0444","","","0.1051","0.1207","","","","","","0.918","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070222","17.9836","0.0016","9.9233","0.0009","33.946","0.003","90","","90","","90","","6057.9","0.9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Br2 N4 Pd -","- C30 H36 Br2 N4 Pd -","- C240 H288 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.1262","0.0609","","","0.1206","0.1399","","","","","","1.005","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070223","18.13","0.0007","9.819","0.0004","34.3077","0.0013","90","","90","","90","","6107.4","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Br2 N4 Pd -","- C30 H34 Br2 N4 Pd -","- C240 H272 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.0652","0.0402","","","0.092","0.1007","","","","","","1.021","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070226","16.6724","0.0009","16.7849","0.0009","26.3598","0.0013","90","","90","","90","","7376.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Br2 Cl2.25 N4 Pd -","- C35 H43.6 Br2 Cl2.2 N4 Pd -","- C280 H348.8 Br16 Cl17.6 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.0453","0.0329","","","0.0835","0.089","","","","","","1.058","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070227","16.8072","0.0008","16.9378","0.0008","26.067","0.0012","90","","90","","90","","7420.7","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H46 Br2 Cl2 N4 Pd -","- C35 H46 Br2 Cl2 N4 Pd -","- C280 H368 Br16 Cl16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.0425","0.0308","","","0.0753","0.0796","","","","","","1.055","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070229","9.0856","0.0004","19.9676","0.0008","29.0609","0.0012","90","","90","","90","","5272.2","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Br2 N4 Pd -","- C24 H32 Br2 N4 Pd -","- C192 H256 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.1182","0.0707","","","0.177","0.2007","","","","","","1.071","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070245","10.7763","0.0003","11.292","0.0003","31.2541","0.0008","90","","90","","90","","3803.19","0.18","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 F3 Ge N O3 S -","- C14 H24 F3 Ge N O3 S -","- C112 H192 F24 Ge8 N8 O24 S8 -","8","1","","Karnezis, Asimo; O’Hair, Richard A.J.; White, Jonathan M.","Carbon−Germanium Hyperconjugation: Solid-State and Gas-Phase Investigations of (Trialkylgermyl)methyl-Substituted Pyridinium Ions","Organometallics","2009","28","22","6480","","10.1021/om900681m","","","1.54184","CuKα","","0.0498","0.0442","","","0.1265","0.1305","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070317","14.3915","0.0001","18.0601","0.0001","17.2583","0.0001","90","","90","","90","","4485.64","0.05","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Y -","- C18 H39 Al2 Y -","- C144 H312 Al16 Y8 -","8","1","","Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner","Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes","Organometallics","2009","28","23","6739","","10.1021/om9007168","","","0.71073","MoKα","","0.0409","0.0301","","","0.0624","0.0667","","","","","","1.117","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070318","17.1263","0.0009","14.3338","0.0008","18.0172","0.0009","90","","90","","90","","4423","0.4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Ga2 Y -","- C18 H39 Ga2 Y -","- C144 H312 Ga16 Y8 -","8","1","","Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner","Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes","Organometallics","2009","28","23","6739","","10.1021/om9007168","","","0.71073","MoKα","","0.0324","0.0217","","","0.054","0.0591","","","","","","1.048","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070336","11.0446","0.0014","15.6598","0.0013","17.0855","0.0017","90","","90","","90","","2955","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H42 As2 O8 -","- C26 H42 As2 O8 -","- C104 H168 As8 O32 -","4","0.5","","Arita, Manabu; Naka, Kensuke; Morisaki, Yasuhiro; Nakahashi, Akiko; Chujo, Yoshiki","Synthesis and Characterization of Stereoisomers of 1,4-Dihydro-1,4-diarsinines","Organometallics","2009","28","20","6109","","10.1021/om900727c","","","0.71075","MoKα","","0.0649","0.0394","","","0.0776","0.0834","","","","","","1.021","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070365","14.0707","0.0011","14.9379","0.0012","17.0864","0.0014","90","","90","","90","","3591.3","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 P -","- C16 H24 Co F6 P -","- C128 H192 Co8 F48 P8 -","8","1","","Ylijoki, Kai E. O.; Witherell, Ross D.; Kirk, Andrew D.; Böcklein, Sebastian; Lofstrand, Verner A.; McDonald, Robert; Ferguson, Michael J.; Stryker, Jeffrey M.","Synthesis, Structure, and Reactivity of Alkyl-Substituted Half-Sandwich η5-Pentadienyl Complexes of Cobalt","Organometallics","2009","28","23","6807","","10.1021/om900754h","","","0.71073","MoKα","","0.0687","0.0438","","","0.1077","0.1257","","","","","","1.041","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070385","15.113","0.01","17.835","0.012","18.047","0.012","90","","90","","90","","4864","6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Zirconium Amdie Cylic O complex","","- C28 H81 N6 O2 Si8 Zr2 -","- C28 H82 N6 O2 Si8 Zr2 -","- C112 H328 N24 O8 Si32 Zr8 -","4","0.5","","Yu, Xianghua; Chen, Xue-Tai; Xue, Zi-Ling","Reactions of Oxygen with Metallaheterocyclic Alkyl Amide Complexes. Selective Insertion of Oxygen into Metal−Carbon Bonds","Organometallics","2009","28","23","6642","","10.1021/om900773w","","","0.71073","MoKα","","0.1079","0.0441","","","0.103","0.1521","","","","","","0.921","","","","has coordinates","270822","2021-11-23","08:35:15",""
"4070387","15.09","0.004","17.812","0.005","18.071","0.005","90","","90","","90","","4857","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8.62 H25.23 Hf0.62 N1.85 O0.62 Si2.46 -","- C8.61538 H25.2308 Hf0.615385 N1.84615 O0.615385 Si2.46154 -","- C112 H328 Hf8 N24 O8 Si32 -","13","1.625","","Yu, Xianghua; Chen, Xue-Tai; Xue, Zi-Ling","Reactions of Oxygen with Metallaheterocyclic Alkyl Amide Complexes. Selective Insertion of Oxygen into Metal−Carbon Bonds","Organometallics","2009","28","23","6642","","10.1021/om900773w","","","0.71073","MoKα","","0.0361","0.0309","","","0.0776","0.0826","","","","","","1.043","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070389","17.2032","0.0003","14.66","0.0008","22.3736","0.001","90","","90","","90","","5642.6","0.4","150","1","150","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H35 Cl F6 N3 O P Ru -","- C25 H35 Cl F6 N3 O P Ru -","- C200 H280 Cl8 F48 N24 O8 P8 Ru8 -","8","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Transmetalation of a Primary Amino-Functionalized N-Heterocyclic Carbene Ligand from an Axially Chiral Square-Planar Nickel(II) Complex to a Ruthenium(II) Precatalyst for the Transfer Hydrogenation of Ketones","Organometallics","2009","28","23","6755","","10.1021/om9007746","","","0.71073","MoKα","","0.1312","0.0559","","","0.1264","0.1602","","","","","","1","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070399","14.111","0.0014","18.7165","0.0018","22.883","0.002","90","","90","","90","","6043.6","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Ni2 -","- C56 H76 Cl8 N4 Ni2 -","- C224 H304 Cl32 N16 Ni8 -","4","0.5","","Laskowski, Carl A.; Hillhouse, Gregory L.","Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides","Organometallics","2009","28","20","6114","","10.1021/om900783u","","","0.71073","MoKα","","0.0486","0.0373","","","0.0801","0.0827","","","","","","1","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070400","14.3647","0.0016","20.944","0.002","21.453","0.002","90","","90","","90","","6454.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Cl2 N2 Ni P -","- C30 H45 Cl2 N2 Ni P -","- C240 H360 Cl16 N16 Ni8 P8 -","8","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides","Organometallics","2009","28","20","6114","","10.1021/om900783u","","","0.71073","MoKα","","0.0688","0.0514","","","0.1326","0.1385","","","","","","1.001","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070414","15.7995","0.0009","9.7465","0.0006","34.893","0.002","90","","90","","90","","5373.2","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H29 F6 Fe N2 O P -","- C27 H29 F6 Fe N2 O P -","- C216 H232 F48 Fe8 N16 O8 P8 -","8","1","","Coe, Benjamin J.; Docherty, Rebecca J.; Foxon, Simon P.; Harper, Elizabeth C.; Helliwell, Madeleine; Raftery, James; Clays, Koen; Franz, Edith; Brunschwig, Bruce S.","Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors","Organometallics","2009","28","24","6880","","10.1021/om9007955","","","0.71073","MoKα","","0.1043","0.0721","","","0.1686","0.1868","","","","","","1.05","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070515","19.621","0.005","22.168","0.005","23.948","0.005","90","0.005","90","0.005","90","0.005","10416","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H32 O6 P2 Ru3 Te4 -","- C43 H32 O6 P2 Ru3 Te4 -","- C344 H256 O48 P16 Ru24 Te32 -","8","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71069","MoKα","","0.082","0.0528","","","0.1325","0.1512","","","","","","1.032","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070538","15.1641","0.0012","17.782","0.0015","20.8018","0.0017","90","","90","","90","","5609.2","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Fe I2 N2 O Si2 U -","- C20 H34 Fe I2 N2 O Si2 U -","- C160 H272 Fe8 I16 N16 O8 Si16 U8 -","8","1","","Monreal, Marisa J.; Diaconescu, Paula L.","A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands","Organometallics","2008","27","8","1702","","10.1021/om700541u","","","0.71073","MoKα","","0.041","0.022","","","0.0395","0.0445","","","","","","1.017","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070561","25.1934","0.0011","23.1439","0.0015","21.3284","0.0007","90","","90","","90","","12436","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 K La N3 O11 S6 -","- C55 H75 K La N3 O11 S6 -","- C440 H600 K8 La8 N24 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.122","0.0994","","","0.2862","0.3071","","","","","","1.054","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070562","25.1464","0.0019","23.1691","0.0011","21.3386","0.0016","90","","90","","90","","12432.3","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 Ce K N3 O11 S6 -","- C55 H75 Ce K N3 O11 S6 -","- C440 H600 Ce8 K8 N24 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.1903","0.104","","","0.2796","0.3236","","","","","","1.054","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070563","25.0619","0.0013","23.1566","0.0007","21.2957","0.0011","90","","90","","90","","12358.9","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 K N3 Nd O11 S6 -","- C55 H75 K N3 Nd O11 S6 -","- C440 H600 K8 N24 Nd8 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.1516","0.0964","","","0.2784","0.3071","","","","","","1.098","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070590","19.2495","0.0011","16.5177","0.0009","19.7412","0.0011","90","","90","","90","","6276.9","0.6","187","2","187","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 F6 N2 O2 Ti -","- C28 H30 Cl2 F6 N2 O2 Ti -","- C224 H240 Cl16 F48 N16 O16 Ti8 -","8","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0505","0.04","","","0.1056","0.1147","","","","","","1.021","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070606","13.1331","0.0007","15.1294","0.0008","19.8109","0.001","90","","90","","90","","3936.3","0.4","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B7 Fe O3 P -","- C13 H26 B7 Fe O3 P -","- C104 H208 B56 Fe8 O24 P8 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.0661","0.0408","","","0.0852","0.0988","","","","","","1.039","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070657","15.4995","0.0008","19.5284","0.0009","24.9868","0.0012","90","","90","","90","","7563","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H57 Fe N3 Si2 -","- C37 H57 Fe N3 Si2 -","- C296 H456 Fe8 N24 Si16 -","8","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.0667","0.0435","","","0.1047","0.1166","","","","","","1.019","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070660","9.258","0.0001","16.667","0.0002","29.194","0.0003","90","","90","","90","","4504.72","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H32 N4 O3 Ru -","- C21 H32 N4 O3 Ru -","- C168 H256 N32 O24 Ru8 -","8","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0763","0.0386","","","0.084","0.098","","","","","","1.031","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070672","17.3322","0.0017","19.32","0.002","27.697","0.004","90","","90","","90","","9274.6","1.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl F6 P3 Pd2 -","- C42 H76 Cl F6 P3 Pd2 -","- C336 H608 Cl8 F48 P24 Pd16 -","8","1","","Szuromi, Endre; Shen, Han; Goodall, Brian L.; Jordan, Richard F.","Polymerization of Norbornene and Methyl Acrylate by a Bimetallic Palladium(II) Allyl Complex","Organometallics","2008","27","3","402","","10.1021/om700921f","","","0.71073","MoKα","","0.0782","0.0493","","","0.1114","0.1256","","","","","","1.024","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070673","15.268","0.002","17.585","0.002","20.729","0.003","90","","90","","90","","5565.5","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H39 N2 Ni O P -","- C28 H39 N2 Ni O P -","- C224 H312 N16 Ni8 O8 P8 -","8","1","","Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene","Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality","Organometallics","2008","27","8","1671","","10.1021/om700933y","","","0.71073","MoKα","","0.1155","0.0628","","","0.1411","0.1628","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070697","20.015","0.002","14.9142","0.0014","20.075","0.002","90","","90","","90","","5992.5","1","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H38 B2 F8 Mo N7 -","- C25 H38 B2 F8 Mo N7 -","- C200 H304 B16 F64 Mo8 N56 -","8","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0684","0.0366","","","0.0806","0.099","","","","","","1.059","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070724","12.0378","0.0003","15.882","0.0003","23.9342","0.0005","90","","90","","90","","4575.84","0.17","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B F Fe N Sn -","- C24 H27 B F Fe N Sn -","- C192 H216 B8 F8 Fe8 N8 Sn8 -","8","1","","Boshra, Ramez; Doshi, Ami; Jäkle, Frieder","Fluoride-Promoted Aryl and Allyl Migration from Boron to Tin in 1-Stannyl-2-borylferrocenes","Organometallics","2008","27","7","1534","","10.1021/om700967a","","","1.54178","CuKα","","0.0506","0.0435","","","0.1076","0.1117","","","","","","1.091","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070733","16.469","0.007","15.342","0.007","20.655","0.009","90","","90","","90","","5219","4","193.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Cl Ir2 N O3 S -","- C22 H34 Cl Ir2 N O3 S -","- C176 H272 Cl8 Ir16 N8 O24 S8 -","8","1","","Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex","Organometallics","2008","27","4","493","","10.1021/om7009705","","","0.7107","MoKα","","","0.0408","","","","0.1456","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070741","17.1174","0.0004","19.8926","0.0004","23.6733","0.0006","90","","90","","90","","8061","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H66 B Br2 N P2 Pt -","- C38 H66 B Br2 N P2 Pt -","- C304 H528 B8 Br16 N8 P16 Pt8 -","8","1","","Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina","Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines","Organometallics","2008","27","3","418","","10.1021/om700976t","","","0.71073","MoKα","","0.0389","0.0268","","","0.0593","0.0659","","","","","","1.097","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070760","15.6216","0.0012","17.8559","0.0016","20.3673","0.0016","90","","90","","90","","5681.2","0.8","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Ir N2 O2 S -","- C31 H35 Ir N2 O2 S -","- C248 H280 Ir8 N16 O16 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0768","0.0402","","","0.0835","0.1096","","","","","","1.259","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070764","13.4004","0.0003","16.9251","0.0003","28.495","0.0006","90","","90","","90","","6462.8","0.2","297","2","297","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H36 B F4 Ir N2 O3 S -","- C32 H36 B F4 Ir N2 O3 S -","- C256 H288 B8 F32 Ir8 N16 O24 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0563","0.0281","","","0.0549","0.0657","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070769","9.11","0.04","16","0.07","23.7","0.1","90","","90","","90","","3455","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 Ir N S -","- C15 H20 Cl2 Ir N S -","- C120 H160 Cl16 Ir8 N8 S8 -","8","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.0461","0.0305","","","0.0651","0.0682","","","","","","0.91","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070770","9.0377","0.0016","16.064","0.003","23.757","0.005","90","","90","","90","","3449.1","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 N Rh S -","- C15 H20 Cl2 N Rh S -","- C120 H160 Cl16 N8 Rh8 S8 -","8","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.037","0.031","","","0.0763","0.0801","","","","","","1.175","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070815","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Wu, Jianguo; Sharp, Paul R.","A Family of Platinaoxetanes","Organometallics","2008","27","6","1234","","10.1021/om7010479","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070836","17.9482","0.0005","19.5298","0.0004","20.9501","0.0004","90","","90","","90","","7343.5","0.3","253","2","253","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H53 F6 P Ru3 -","- C37 H53 F6 P Ru3 -","- C296 H424 F48 P8 Ru24 -","8","1","","Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu","Insertion of Acetylene and Nitriles into a Ru‒C Bond of a Dicationic Triruthenium Complex Having a μ~3~-η^3^-C~3~ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core","Organometallics","2008","27","6","1044","1054","10.1021/om701066b","","","0.71069","MoKα","","0.0652","0.0369","","","0.0815","0.0875","","","","","","0.892","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070912","15.289","0.0018","23.481","0.003","34.845","0.004","90","","90","","90","","12509","3","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4","","","- C52 H112 N12 Sr2 -","- C52 H112 N12 Sr2 -","- C416 H896 N96 Sr16 -","8","1","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0906","0.0438","","","0.0932","0.1095","","","","","","1","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4070918","8.376","0.003","16.629","0.006","23.453","0.008","90","","90","","90","","3267","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Co I N S -","- C15 H19 Co I N S -","- C120 H152 Co8 I8 N8 S8 -","8","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.0443","0.0343","","","0.0769","0.0809","","","","","","0.99","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070920","10.934","0.003","19.396","0.006","23.402","0.007","90","","90","","90","","4963","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H30 B10 Co N S2 -","- C17 H30 B10 Co N S2 -","- C136 H240 B80 Co8 N8 S16 -","8","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.1268","0.047","","","0.0754","0.0903","","","","","","0.768","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070925","12.837","0.0005","18.8931","0.0008","23.392","0.001","90","","90","","90","","5673.3","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H34 Cl F6 Ir N2 P2 -","- C27 H34 Cl F6 Ir N2 P2 -","- C216 H272 Cl8 F48 Ir8 N16 P16 -","8","1","","Song, Guoyong; Wang, Xinjiao; Li, Yongxin; Li, Xingwei","Iridium Abnormal N-Heterocyclic Carbene Hydrides via Highly Selective C−H Activation","Organometallics","2008","27","6","1187","","10.1021/om7011216","","","0.71073","MoKα","","0.0356","0.0247","","","0.0568","0.065","","","","","","1.034","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070938","17.312","0.004","13.681","0.003","28.015","0.006","90","","90","","90","","6635","3","110","","110","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 B Cl4 P Ru -","- C33 H44 B Cl4 P Ru -","- C264 H352 B8 Cl32 P8 Ru8 -","8","1","","Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier","Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)]","Organometallics","2008","27","6","1140","","10.1021/om701139a","","","","MoKα","","0.1549","0.0766","","","0.13","0.1551","","","","","","1.119","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070963","17.6967","0.0008","18.5086","0.0009","25.923","0.001","90","","90","","90","","8490.8","0.7","100","1","100","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C46 H64 Fe N6 -","- C46 H64 Fe N6 -","- C368 H512 Fe8 N48 -","8","1","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.058","0.0429","","","0.1022","0.1094","","","","","","1.036","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070975","15.1597","0.0015","12.5004","0.0014","31.331","0.003","90","","90","","90","","5937.3","1.1","95","2","95","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H52 Cl0.37 N2.26 P2 Rh Si2 -","- C22 H52 Cl0.371 N2.258 P2 Rh Si2 -","- C176 H416 Cl2.968 N18.064 P16 Rh8 Si16 -","8","1","","Verat, Alexander Y.; Pink, Maren; Fan, Hongjun; Tomaszewski, John; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RhI? Rapidly Reversible H−C(sp3) and H−C(sp2) Bond Cleavage by Rhodium(I)","Organometallics","2008","27","2","166","","10.1021/om701165n","","","0.49595","synchrotron","","0.1179","0.0716","","","0.1573","0.1885","","","","","","1.235","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4070985","21.61","0.003","17.342","0.002","32.154","0.004","90","","90","","90","","12050","3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H56 Hf Li2 N4 -","- C22 H56 Hf Li2 N4 -","- C352 H896 Hf16 Li32 N64 -","16","2","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.0683","0.0242","","","0.037","0.0391","","","","","","0.714","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070987","15.3935","0.0004","13.3225","0.0003","34.6471","0.0006","90","","90","","90","","7105.4","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H65 Li3 N6 W -","- C26 H65 Li3 N6 W -","- C208 H520 Li24 N48 W8 -","8","1","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.1533","0.0531","","0.1203","","0.0926","","","0.969","","","1.112","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070997","17.0553","0.0004","20.1437","0.0006","19.2039","0.0006","90","","90","","90","","6597.6","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","complex 4","","","- C29 H51 O2 P3 Ru Si2 -","- C29 H51 O2 P3 Ru Si2 -","- C232 H408 O16 P24 Ru8 Si16 -","8","1","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.0525","0.0415","","","0.1011","0.128","","","","","","1.226","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071046","16.1222","0.0019","17.089","0.002","32.257","0.004","90","","90","","90","","8887.2","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Cl8 O Os P4 -","- C34 H48 Cl8 O Os P4 -","- C272 H384 Cl64 O8 Os8 P32 -","8","1","","Gong, Lei; Lin, Yumei; He, Guomei; Zhang, Hong; Wang, Huijuan; Wen, Ting Bin; Xia, Haiping","Synthesis and Characterization of an Air-Stablep-Osmaphenol","Organometallics","2008","27","3","309","","10.1021/om7012265","","","0.71073","MoKα","","0.0817","0.0424","","","0.0743","0.0816","","","","","","1.008","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071109","13.78","0.004","17.776","0.006","18.726","0.006","90","","90","","90","","4587","3","198","2","198","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 Ti -","- C18 H40 P4 Ti -","- C144 H320 P32 Ti8 -","8","1","","You, Yujian; Girolami, Gregory S.","Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis","Organometallics","2008","27","13","3172","","10.1021/om701263v","","","0.71073","MoKα","","0.0494","0.0337","","","0.0875","0.093","","","","","","1.015","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071148","10.827","0.005","16.74","0.009","36.494","0.017","90","","90","","90","","6614","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H41 N Ni P2 -","- C38 H41 N Ni P2 -","- C304 H328 N8 Ni8 P16 -","8","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.3177","0.079","","","0.1269","0.1995","","","","","","0.959","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071163","17.0371","0.0009","9.4576","0.0005","17.5727","0.0008","90","","90","","90","","2831.5","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Br2 N4 Ni -","- C26 H36 Br2 N4 Ni -","- C104 H144 Br8 N16 Ni4 -","4","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0551","0.0353","","","0.0777","0.0839","","","","","","1.027","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071165","11.2799","0.0007","15.3817","0.001","18.4142","0.0012","90","","90","","90","","3194.9","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Br2 N4 Ni -","- C30 H44 Br2 N4 Ni -","- C120 H176 Br8 N16 Ni4 -","4","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0755","0.0441","","","0.1057","0.1178","","","","","","1.034","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071187","14.18","0.003","13.87","0.002","16.468","0.003","90","","90","","90","","3238.9","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl Os -","- C18 H27 Cl Os -","- C144 H216 Cl8 Os8 -","8","1","","Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo","Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control","Organometallics","2008","27","13","3307","","10.1021/om8000235","","","0.71073","MoKα","","0.0719","0.0415","","","0.096","0.1173","","","","","","0.997","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071229","15.8275","0.0008","17.7785","0.001","17.9098","0.0009","90","","90","","90","","5039.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H46 Ir P3 Si -","- C18 H46 Ir P3 Si -","- C144 H368 Ir8 P24 Si8 -","8","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0378","0.0224","","","0.039","0.0419","","","","","","1.03","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071236","10.1646","0.0005","17.4207","0.0008","18.9964","0.0009","90","","90","","90","","3363.8","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 Pd -","- C18 H22 N2 O2 Pd -","- C144 H176 N16 O16 Pd8 -","8","1","","Giri, Ramesh; Maugel, Nathan; Foxman, Bruce M.; Yu, Jin-Quan","Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex","Organometallics","2008","27","8","1667","","10.1021/om8000444","","","0.71073","MoKα","","0.0209","0.0161","","0.0413","0.0406","0.0413","","","","","","0.8474","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071261","16.093","0.003","21.424","0.004","33.139","0.005","90","","90","","90","","11426","3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H45 N2 Si Sm -","- C27 H45 N2 Si Sm -","- C432 H720 N32 Si16 Sm16 -","16","2","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Diazomethane Insertion into Lanthanide− and Yttrium−C(allyl) Bonds To Form the η2-Hydrazonato Complexes (C5Me5)2Ln[η2(N,N′)-RNNCHSiMe3] (R = C3H5)","Organometallics","2008","27","14","3582","","10.1021/om800065j","","","0.71073","MoKα","","0.0993","0.0569","","","0.1123","0.134","","","","","","1.191","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071292","16.5175","0.0003","16.1088","0.0003","16.6269","0.0003","90","","90","","90","","4424.04","0.14","200","","200","","","","","","","","from UNSW","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 Fe O6 P4 -","- C14 H34.0016 Fe O6 P4 -","- C112 H272.013 Fe8 O48 P32 -","8","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0785","0.0384","","0.1174","0.0917","0.1174","","","","","","1.0039","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071342","20.6472","0.0016","12.2032","0.001","25.668","0.002","90","","90","","90","","6467.4","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H44 N4 Ti -","- C37 H44 N4 Ti -","- C296 H352 N32 Ti8 -","8","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0828","0.0545","","","0.1411","0.1549","","","","","","1.086","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071343","21.266","0.004","12.788","0.002","24.435","0.004","90","","90","","90","","6645","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H46 N4 Ti -","- C38 H46 N4 Ti -","- C304 H368 N32 Ti8 -","8","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0877","0.0509","","","0.1229","0.137","","","","","","1.084","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071351","16.2363","0.0006","17.0367","0.0007","43.781","0.0017","90","","90","","90","","12110.4","0.8","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C27 H40 Cl2 N4 Ti -","- C27 H40 Cl2 N4 Ti -","- C432 H640 Cl32 N64 Ti16 -","16","2","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","x-ray","0.71073","MoKα","","0.0763","0.0546","","","0.1201","0.1301","","","","","","1.088","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071357","21.0572","0.0011","15.9155","0.0011","22.0458","0.0015","90","","90","","90","","7388.3","0.8","293.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl Ir N -","- C19 H27 Cl Ir N -","- C304 H432 Cl16 Ir16 N16 -","16","2","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0452","","","","0.114","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071416","8.8589","0.001","17.727","0.002","27.619","0.004","90","","90","","90","","4337.3","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H37 Mo N O -","- C23 H37 Mo N O -","- C184 H296 Mo8 N8 O8 -","8","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.1154","0.0626","","","0.1167","0.1274","","","","","","1.12","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071421","10.604","0.017","17.3","0.02","38.19","0.05","90","","90","","90","","7006","17","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H51 O3 S2 Sc Si -","- C32 H51 O3 S2 Sc Si -","- C256 H408 O24 S16 Sc8 Si8 -","8","1","","Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun","Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation","Organometallics","2008","27","15","3774","","10.1021/om800161u","","","0.71073","MoKα","","0.1459","0.0705","","","0.1091","0.126","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071435","18.7819","0.0011","21.2139","0.0011","35.3915","0.0016","90","","90","","90","","14101.3","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C55 H94 B22 Ir N4 O P2 Sn2 -","- C55 H94 B22 Ir N4 O P2 Sn2 -","- C440 H752 B176 Ir8 N32 O8 P16 Sn16 -","8","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.1144","0.0677","","","0.0987","0.1107","","","","","","1.135","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071452","15.467","0.0007","15.8451","0.0007","15.8451","0.0007","90","","90","","90","","3883.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 Cl N3 P Pd -","- C21 H17 Cl N3 P Pd -","- C168 H136 Cl8 N24 P8 Pd8 -","8","1","","Inés, Blanca; SanMartin, Raul; Churruca, Fátima; Domínguez, Esther; Urtiaga, Miren Karmele; Arriortua, María Isabel","A Nonsymmetric Pincer-Type Palladium Catalyst In Suzuki, Sonogashira, and Hiyama Couplings in Neat Water","Organometallics","2008","27","12","2833","","10.1021/om800175a","","","0.71073","MoKα","","0.0988","0.0951","","","0.1241","0.1254","","","","","","1.532","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071471","13.539","0.00001","23.098","0.00001","32.279","0.0002","90","","90","","90","","10094.4","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","in_paper_2","","","- C22 H42 Cl2 Ir N3 -","- C22 H42 Cl2 Ir N3 -","- C352 H672 Cl32 Ir16 N48 -","16","2","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0688","0.048","","","0.1251","0.1481","","","","","","1.08","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071516","19.0732","0.0012","15.3618","0.0011","24.6074","0.0016","90","","90","","90","","7209.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O2 Pd2 -","- C40 H40 N4 O2 Pd2 -","- C320 H320 N32 O16 Pd16 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0564","0.0519","","","0.1023","0.1041","","","","","","1.383","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071565","17.1407","0.0005","19.184","0.0006","26.3148","0.0008","90","","90","","90","","8653","0.5","160","","180","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C34 H75 N O8 Zr2 -","- C34 H75 N O8 Zr2 -","- C272 H600 N8 O64 Zr16 -","8","1","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0728","0.0357","","","0.0939","0.1272","","","","","","1.162","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071584","16.871","0.002","9.3341","0.0012","37.956","0.005","90","","90","","90","","5977.1","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H34 Fe2 N2 O2 -","- C39 H34 Fe2 N2 O2 -","- C312 H272 Fe16 N16 O16 -","8","1","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.0759","0.0575","","","0.1361","0.145","","","","","","1.061","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071654","18.0783","0.0003","14.7973","0.0003","27.1111","0.0006","90","","90","","90","","7252.5","0.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H51 Cl2 N3 P2 Ru -","- C36 H51 Cl2 N3 P2 Ru -","- C288 H408 Cl16 N24 P16 Ru8 -","8","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.71073","MoKα","","0.0786","0.0462","","","0.1102","0.1227","","","","","","1.049","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071692","16.843","0.004","19.073","0.005","15.619","0.005","90","","90","","90","","5018","2","200.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H29 O P Ru -","- C32 H29 O P Ru -","- C256 H232 O8 P8 Ru8 -","8","1","","Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex","Organometallics","2008","27","15","3635","","10.1021/om800318z","","","0.7107","MoKα","","","0.0305","","","","0.0485","","","","","","1.244","","","","has coordinates","288190","2023-12-08","16:15:29",""
"4071715","8.2836","0.0008","13.7315","0.0007","19.6036","0.0011","90","","90","","90","","2229.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pd -","- C11 H17 Cl O Pd -","- C88 H136 Cl8 O8 Pd8 -","8","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","New Acetonyl Palladium(II) Complexes","Organometallics","2008","27","15","3978","","10.1021/om8003288","","","0.71073","MoKα","","0.0399","0.0232","","","0.0425","0.0446","","","","","","0.839","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071723","15.499","0.0002","15.257","0.0002","22.8414","0.0003","90","","90","","90","","5401.27","0.12","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Fe P -","- C32 H37 Fe P -","- C256 H296 Fe8 P8 -","8","1","","Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3†","Organometallics","2008","27","20","5279","","10.1021/om800339c","","","0.71073","MoKα","","0.1085","0.0531","","","0.1262","0.1459","","","","","","1.051","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071749","10.8132","0.0009","17.3988","0.0013","34.178","0.003","90","","90","","90","","6430.1","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl3 Cr N2 P2 -","- C32 H34 Cl3 Cr N2 P2 -","- C256 H272 Cl24 Cr8 N16 P16 -","8","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","Unusual Ligand Transformation Mediated by Chromium(III): Hydrolytic Disintegration of a [PNP] Hybrid Ligand with CH3CN Insertion","Organometallics","2008","27","16","4188","","10.1021/om800353a","","","0.71073","MoKα","","0.1026","0.0626","","","0.112","0.1243","","","","","","1.032","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071772","13.1738","0.0005","12.7807","0.0004","21.3933","0.0007","90","","90","","90","","3602","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 Co F6 P Si2 -","- C14 H20 Co F6 P Si2 -","- C112 H160 Co8 F48 P8 Si16 -","8","1","","Braunschweig, Holger; Breher, Frank; Kaupp, Martin; Gross, Manuela; Kupfer, Thomas; Nied, Dominik; Radacki, Krzysztof; Schinzel, Sandra","Synthesis, Crystal Structure, EPR and DFT Studies, and Redox Properties of [2]Tetramethyldisilacobaltocenophane","Organometallics","2008","27","24","6427","","10.1021/om8003724","","","0.71073","MoKα","","0.0314","0.0289","","","0.0745","0.0774","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071829","16.7222","0.0003","14.4243","0.0004","22.8272","0.0004","90","","90","","90","","5506.1","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H47 Cl2 P Ru -","- C27 H47 Cl2 P Ru -","- C216 H376 Cl16 P8 Ru8 -","8","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.0412","0.0274","","","0.0625","0.0717","","","","","","1.057","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071889","9.3447","0.0013","13.4617","0.0018","34.022","0.005","90","","90","","90","","4279.8","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H34 B9 N -","- C17 H34 B9 N -","- C136 H272 B72 N8 -","8","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.1931","0.0967","","","0.2617","0.3432","","","","","","1.023","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071903","17.82","0.003","16.545","0.002","19.229","0.003","90","","90","","90","","5669.3","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl N O6 Os P -","- C29 H35 Cl N O6 Os P -","- C232 H280 Cl8 N8 O48 Os8 P8 -","8","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0716","0.0526","","","0.098","0.1039","","","","","","1.195","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4072023","21.285","0.004","12.164","0.002","29.355","0.005","90","","90","","90","","7600","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H61 P3 -","- C38.777 H59.233 P3 -","- C310.216 H473.864 P24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1287","0.0899","","","0.2429","0.2802","","","","","","1.02","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072038","18.668","0.002","17.479","0.002","19.473","0.002","90","","90","","90","","6354","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N3 Sc Si3 -","- C24 H58 N3 Sc Si3 -","- C192 H464 N24 Sc8 Si24 -","8","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0445","0.0352","","","0.0811","0.0853","","","","","","1.056","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072039","17.211","0.001","17.984","0.002","20.309","0.002","90","","90","","90","","6286.1","1","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N3 Si3 Y -","- C24 H58 N3 Si3 Y -","- C192 H464 N24 Si24 Y8 -","8","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0475","0.0289","","","0.0624","0.0688","","","","","","1.039","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072043","23.6525","0.0013","14.4554","0.0009","27.611","0.0016","90","","90","","90","","9440.4","1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C34 H76 Br4 Ni2 P4 -","- C34 H76 Br4 Ni2 P4 -","- C272 H608 Br32 Ni16 P32 -","8","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0704","0.0615","","","0.1303","0.136","","","","","","1.079","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072049","14.0098","0.0016","16.2434","0.0018","38.914","0.004","90","","90","","90","","8855.5","1.7","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C17 H37 Br2 Ni P2 -","- C17 H37 Br2 Ni P2 -","- C272 H592 Br32 Ni16 P32 -","16","2","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.052","0.0328","","","0.0757","0.0812","","","","","","0.963","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072122","14.6431","0.0008","11.779","0.0005","27.4725","0.0015","90","","90","","90","","4738.5","0.4","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H46 Au2 Fe3 P2 -","- C58 H46 Au2 Fe3 P2 -","- C232 H184 Au8 Fe12 P8 -","4","0.5","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.0862","0.043","","","0.0808","0.09","","","","","","0.879","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072124","9.441","0.002","15.717","0.004","22.341","0.005","90","","90","","90","","3315.1","1.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 B9 Fe N S -","- C10 H24 B9 Fe N S -","- C80 H192 B72 Fe8 N8 S8 -","8","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.1347","0.0537","","","0.1075","0.1629","","","","","","1.039","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072206","13.6779","0.0006","14.7453","0.0006","32.7016","0.0012","90","","90","","90","","6595.4","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H42 Cl2 N3 Pd -","- C36 H42 Cl2 N3 Pd -","- C288 H336 Cl16 N24 Pd8 -","8","1","","Broggi, Julie; Clavier, Hervé; Nolan, Steven P.","N-Heterocyclic Carbenes (NHCs) ContainingN-C-Palladacycle Complexes: Synthesis and Reactivity in Aryl Amination Reactions","Organometallics","2008","27","21","5525","","10.1021/om8006689","","","0.71073","MoKα","","0.0466","0.0326","","","0.0768","0.0836","","","","","","1.025","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072218","12.2777","0.0014","16.159","0.003","20.531","0.003","90","","90","","90","","4073.3","1.1","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 O4 S Si -","- C18 H18 Cl2 N2 O4 S Si -","- C144 H144 Cl16 N16 O32 S8 Si8 -","8","1","","Metz, Stefan; Burschka, Christian; Tacke, Reinhold","A Neutral Pentacoordinate Silicon(IV) Complex with a Monodentate Nitrato Ligand: Synthesis and Structural Characterization","Organometallics","2008","27","22","6032","","10.1021/om800676a","","","0.71073","MoKα","","0.0469","0.0381","","","0.0987","0.103","","","","","","1.046","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072230","14.953","0.0007","17.0466","0.0004","21.464","0.0009","90","","90","","90","","5471.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Ti -","- C30 H45 Ti -","- C240 H360 Ti8 -","8","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.154","0.0674","","","0.1521","0.1883","","","","","","1.022","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072267","20.397","0.003","14.12","0.002","21.943","0.003","90","","90","","90","","6319.7","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Ge2 N4 -","- C30 H46 Ge2 N4 -","- C240 H368 Ge16 N32 -","8","1","","Nagendran, Selvarajan; Sen, Sakya S.; Roesky, Herbert W.; Koley, Debasis; Grubmüller, Helmut; Pal, Aritra; Herbst-Irmer, Regine","RGe(I)Ge(I)R Compound (R = PhC(NtBu)2) with a Ge−Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine†","Organometallics","2008","27","21","5459","","10.1021/om800714f","","","1.54178","CuKα","","0.0467","0.0299","","","0.0661","0.0743","","","","","","1.043","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072303","15.986","0.0002","22.708","0.0004","23.811","0.0002","90","","90","","90","","8643.6","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H59 N P2 Ru -","- C51 H59 N P2 Ru -","- C408 H472 N8 P16 Ru8 -","8","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0647","0.0405","","","0.0863","0.0974","","","","","","1.029","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072349","21.327","0.004","20.487","0.006","26.1","0.007","90","","90","","90","","11404","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H65 B F20 N P Ti -","- C58 H65 B F20 N P Ti -","- C464 H520 B8 F160 N8 P8 Ti8 -","8","1","","Friesen, Dawn M.; Piers, Warren E.; Parvez, Masood","Selective Catalytic Dimerization of Neohexene by [Cp*Ti(NPtBu3)Me][B(C6F5)4]","Organometallics","2008","27","24","6596","","10.1021/om800790d","","","0.71073","MoKα","","0.0929","0.0717","","","0.1746","0.1908","","","","","","1.034","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072353","12.1828","0.0002","9.7269","0.0002","18.0635","0.0003","90","","90","","90","","2140.54","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O2 Si -","- C10 H13 N O2 Si -","- C80 H104 N8 O16 Si8 -","8","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0449","0.0341","","","0.0909","0.095","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072407","19.6359","0.0016","19.7648","0.0017","22.712","0.0019","90","","90","","90","","8814.5","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H124 B2 F2 N2 -","- C84 H120 B2 F2 N2 -","- C336 H480 B8 F8 N8 -","4","0.5","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.2211","0.0789","","","0.2236","0.2839","","","","","","0.87","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072454","15.9591","0.0001","15.3955","0.0001","16.192","0.0002","90","","90","","90","","3978.35","0.06","220","2","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Ir O P S2 -","- C18 H26 Ir O P S2 -","- C144 H208 Ir8 O8 P8 S16 -","8","1","","Shaver, Alan; El Mouatassim, Bouchra; Mortini, Florent; Bélanger-Gariépy, Francine; Lough, Alan","Reactions of (η5-C5Me5)Ir(PMe3)(SH)2and (η5-C5Me5)Ir(PMe3)(SH)(H) with Thionylaniline (PhNSO) to Give Novel Iridium S3O and S2O Complexes","Organometallics","2007","26","17","4229","","10.1021/om060399l","","","1.54178","CuKα","","0.034","0.0305","","","0.08","0.0821","","","","","","1.087","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072482","17.6501","0.0009","16.4751","0.0008","35.5604","0.0018","90","","90","","90","","10340.5","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H71 B Mo N O2 P3 -","- C54 H71 B Mo N O2 P3 -","- C432 H568 B8 Mo8 N8 O16 P24 -","8","1","","Sterenberg, Brian T.; Senturk, Ozan Sanli; Udachin, Konstantin A.; Carty, Arthur J.","Reactivity of Terminal, Electrophilic Phosphinidene Complexes of Molybdenum and Tungsten. Nucleophilic Addition at Phosphorus and P−P Bond Forming Reactions with Phosphines and Diphosphines","Organometallics","2007","26","4","925","","10.1021/om060685x","","","0.71073","MoKα","","0.0716","0.0388","","","0.101","0.1125","","","","","","1","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072543","11.245","0.0014","15.5538","0.0019","16.19","0.002","90","","90","","90","","2831.7","0.6","396","2","396","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H96 Cr8 O24 -","- C136 H96 Cr8 O24 -","- C136 H96 Cr8 O24 -","1","0.125","","Coleman, Anthony; Draper, Sylvia M.; Long, Conor; Pryce, Mary T.","Photochemicalcis−transIsomerization ofcis-(η6-1,2-Diphenylethene)Cr(CO)3and the Molecular Structure oftrans-(η6-1,2-Diphenylethene)Cr(CO)3","Organometallics","2007","26","17","4128","","10.1021/om060773h","","","0.71073","MoKα","","0.0512","0.0352","","","0.0836","0.0924","","","","","","1.041","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072586","17.7428","0.0002","13.2892","0.0002","21.3972","0.0003","90","","90","","90","","5045.19","0.12","150","","150","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","Cp*Ti(N-2,6-C6H3iPr2)Cl(py)","","- C27 H37 Cl N2 Ti -","- C27 H37 Cl N2 Ti -","- C216 H296 Cl8 N16 Ti8 -","8","1","","Owen, Christopher T.; Bolton, Paul D.; Cowley, Andrew R.; Mountford, Philip","Cyclopentadienyl Titanium Imido Compounds and Their Ethylene Polymerization Capability: Control of Molecular Weight Distributions by Imido N-Substituents","Organometallics","2007","26","1","83","","10.1021/om0608556","","","0.71073","MoKα","","0.0616","0.0359","","0.0612","0.041","0.041","","","","","","1.0973","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072595","12.8434","0.0005","18.7067","0.0007","33.6484","0.0012","90","","90","","90","","8084.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H62 N O3 Sc Si2 -","- C39 H62 N O3 Sc Si2 -","- C312 H496 N8 O24 Sc8 Si16 -","8","1","","Marinescu, Smaranda C.; Agapie, Theodor; Day, Michael W.; Bercaw, John E.","Group 3 Dialkyl Complexes with Tetradentate (L, L, N, O; L = N, O, S) Monoanionic Ligands: Synthesis and Reactivity","Organometallics","2007","26","5","1178","","10.1021/om0608612","","","0.71073","MoKα","","0.0693","0.0447","","","0.0693","0.0709","","","","","","2.272","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4072653","9.1251","0.001","16.8748","0.0018","33.956","0.004","90","","90","","90","","5228.7","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 I2 P2 Pt -","- C24 H34 I2 P2 Pt -","- C192 H272 I16 P16 Pt8 -","8","1","","Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer","Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis","Organometallics","2007","26","3","713","","10.1021/om060912v","","","0.71073","MoKα","","0.0669","0.0446","","","0.0924","0.1007","","","","","","1.105","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072662","15.045","0.006","19.289","0.008","22.687","0.009","90","","90","","90","","6584","5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H60 N2 O2 Os Si2 -","- C24 H60 N2 O2 Os Si2 -","- C192 H480 N16 O16 Os8 Si16 -","8","1","","Kiefer, Adam M.; Giles, John A.; Shapley, Patricia A.","Synthesis, Structure, and Reactivity of Organometallic Osmium(VI) Hydroxo Compounds","Organometallics","2007","26","8","1881","","10.1021/om060918k","","","0.71073","MoKα","","0.1715","0.0697","","","0.0983","0.1191","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072675","10.734","0.0005","11.2427","0.0005","31.3159","0.0015","90","","90","","90","","3779.2","0.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 F3 N O3 S Si -","- C14 H24 F3 N O3 S Si -","- C112 H192 F24 N8 O24 S8 Si8 -","8","1","","Hassall, Kathryn; Lobachevsky, Sofia; Schiesser, Carl H.; White, Jonathan M.","Carbon−Silicon Hyperconjugation and Strain-Enhanced Hyperconjugation: Structures ofN-Methyl 2- and 4-tert-Butyldimethylsilylmethyl Pyridinium Cations","Organometallics","2007","26","6","1361","","10.1021/om060939e","","","0.71073","MoKα","","0.0435","0.0396","","","0.1054","0.1078","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072721","15.7173","0.0007","17.0705","0.0008","18.667","0.0009","90","","90","","90","","5008.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 B9 Ir -","- C24 H36 B9 Ir -","- C192 H288 B72 Ir8 -","8","1","","Alekseev, Leonid S.; Dolgushin, Fedor M.; Korlyukov, Alexander A.; Godovikov, Ivan A.; Vorontsov, Evgenii V.; Chizhevsky, Igor T.","Synthesis of 16-Electron (η3-Cyclooctenyl)metallacarboranes of Rhodium(III) and Iridium(III) with the New Sterically Demanding [(4‘-MeC6H4)2C2B9H9]2-Carborane Ligand. Molecular Structures of [3-{(1−3-η3)-C8H13}-1,2-(4‘-MeC6H4)2-3,1,2-pseudocloso-MC2B9H9] (M = Rh, Ir) and [(η6-MeC6H4)Rh(C2B9H9C6H4Me)Rh(η4-C8H12)]2, a Dimeric Byproduct Containing Distorted 13-Vertex {4,9,1,10-Rh2C2B9} Cluster Units","Organometallics","2007","26","15","3868","","10.1021/om0609721","","","0.71073","MoKα","","0.0276","0.019","","","0.0412","0.0444","","","","","","1.034","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072816","11.5297","0.0004","19.4678","0.0006","29.0284","0.0009","90","","90","","90","","6515.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H54 O2 W -","- C34 H54 O2 W -","- C272 H432 O16 W8 -","8","1","","Tonzetich, Zachary J.; Lam, Yan Choi; Müller, Peter; Schrock, Richard R.","Facile Synthesis of a Tungsten Alkylidyne Catalyst for Alkyne Metathesis","Organometallics","2007","26","3","475","","10.1021/om0610647","","","0.71073","MoKα","","0.029","0.0222","","","0.0523","0.0557","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072840","17.793","0.004","15.863","0.004","23.31","0.005","90","","90","","90","","6579","3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 F12 Ru Sb2 -","- C32 H28 F12 Ru Sb2 -","- C256 H224 F96 Ru8 Sb16 -","8","1","","Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.","η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)","Organometallics","2007","26","7","1721","","10.1021/om0610795","","","0.71073","MoKα","","0.0905","0.0596","","","0.1521","0.1753","","","","","","1.15","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072841","17.783","0.004","16.056","0.003","23.27","0.005","90","","90","","90","","6644","2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H30 F12 Ru Sb2 -","- C33 H30 F12 Ru Sb2 -","- C264 H240 F96 Ru8 Sb16 -","8","1","","Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.","η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)","Organometallics","2007","26","7","1721","","10.1021/om0610795","","","0.71073","MoKα","","0.0613","0.04","","","0.0976","0.1157","","","","","","1.029","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072842","18.03","0.004","15.11","0.003","23.476","0.005","90","","90","","90","","6396","2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H26 F12 Ru Sb2 -","- C31 H26 F12 Ru Sb2 -","- C248 H208 F96 Ru8 Sb16 -","8","1","","Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.","η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)","Organometallics","2007","26","7","1721","","10.1021/om0610795","","","0.71073","MoKα","","0.0419","0.0339","","","0.0815","0.0881","","","","","","1.101","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072884","16.0743","0.0011","19.1","0.0009","21.9454","0.0011","90","","90","","90","","6737.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B Fe2 Li O -","- C40 H46 B Fe2 Li O -","- C320 H368 B8 Fe16 Li8 O8 -","8","1","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li+Cation","Organometallics","2007","26","7","1771","","10.1021/om061117k","","","0.71073","MoKα","","0.1344","0.0633","","","0.1083","0.1281","","","","","","0.927","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072920","8.699","0.002","19.281","0.003","23.397","0.004","90","","90","","90","","3924.3","1.3","173.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O Pt S -","- C21 H23 N O Pt S -","- C168 H184 N8 O8 Pt8 S8 -","8","1","","Yagyu, Takeyoshi; Ohashi, Jun-ichi; Maeda, Masunobu","Monoarylplatinum(II) Complexes with a 2-Phenylpyridyl Ligand and Coordinated Solvent, [Pt(Ar)(Phpy)(solv)] (Phpy = 2-phenylpyridyl; solv = NCCH3, dmso). Preparation from [Pt(Ar)2(solv)2], Structures, and Chemical Properties","Organometallics","2007","26","9","2383","","10.1021/om061137m","","","0.7107","MoKα","","","0.0662","","","","0.1276","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072942","21.2482","0.0014","15.82","0.0011","24.3741","0.0017","90","","90","","90","","8193.3","1","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H25 B Bi F20 N O -","- C43 H24 B Bi F20 N O -","- C344 H192 B8 Bi8 F160 N8 O8 -","8","1","","Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru","Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules","Organometallics","2007","26","7","1816","","10.1021/om0611453","","","0.71069","MoKα","","","0.0432","","","","0.1281","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072944","21.3142","0.001","15.8821","0.0008","24.2633","0.0012","90","","90","","90","","8213.5","0.7","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H23 B Bi Cl2 F20 N -","- C43 H23 B Bi Cl2 F20 N -","- C344 H184 B8 Bi8 Cl16 F160 N8 -","8","1","","Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru","Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules","Organometallics","2007","26","7","1816","","10.1021/om0611453","","","0.71069","MoKα","","","0.043","","","","0.1129","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072952","16.1827","0.0004","15.6776","0.0004","22.2677","0.0008","90","","90","","90","","5649.4","0.3","243.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H42 Al N O4 Ti -","- C27 H42 Al N O4 Ti -","- C216 H336 Al8 N8 O32 Ti8 -","8","1","","Padmanabhan, Sudhakar; Katao, Shouhei; Nomura, Kotohiro","Synthesis and Structure of Titanatranes Containing Tetradentate Trianionic Donor Ligands of the Type [(O-2,4-R2C6H2-6-CH2)2(OCH2CH2)]N3-and Their Use in Catalysis for Ethylene Polymerization","Organometallics","2007","26","7","1616","","10.1021/om0611507","","","0.71075","MoKα","","","0.0441","","","","0.109","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072958","11.984","0.0017","13.3474","0.0019","20.537","0.003","90","","90","","90","","3285","0.8","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Bi I N2 -","- C13 H22 Bi I N2 -","- C104 H176 Bi8 I8 N16 -","8","1","","Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C.","Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides","Organometallics","2007","26","5","1196","","10.1021/om0611608","","","0.71073","MoKα","","0.0632","0.0483","","","0.0918","0.0968","","","","","","1.159","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072963","15.785","0.0003","16.3154","0.0004","21.8306","0.0003","90","","90","","90","","5622.22","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H43 O3 P2 Pd -","- C25 H43 O3 P2 Pd -","- C200 H344 O24 P16 Pd8 -","8","1","","Johansson, Roger; Wendt, Ola F.","Synthesis and Reactivity of (PCP) Palladium Hydroxy Carbonyl and Related Complexes toward CO2and Phenylacetylene","Organometallics","2007","26","9","2426","","10.1021/om0611709","","","0.71073","MoKα","","0.1211","0.0383","","","0.0877","0.093","","","","","","0.911","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072994","17.267","0.002","17.974","0.002","18.631","0.003","90","","90","","90","","5782.3","1.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 I3 P Ru -","- C26 H40 I3 P Ru -","- C208 H320 I24 P8 Ru8 -","8","1","","Caskey, Stephen R.; Stewart, Michael H.; Ahn, Yi Joon; Johnson, Marc J. A.; Rowsell, Jesse L. C.; Kampf, Jeff W.","Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes","Organometallics","2007","26","8","1912","","10.1021/om061192v","","","0.71073","MoKα","","0.0328","0.0271","","","0.0807","0.0828","","","","","","1.288","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073008","7.163","0.003","11.724","0.006","36.548","0.017","90","","90","","90","","3069","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 Fe O3 -","- C19 H14 Fe O3 -","- C152 H112 Fe8 O24 -","8","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Tsumori, Nobuko; Xu, Qiang; Chen, Jiabi","Thermolytic Products Derived from Thermolysis of Cycloolefin-Coordinated Diiron Bridging Carbene Complexes†","Organometallics","2007","26","10","2630","","10.1021/om070009a","","","0.71073","MoKα","","0.1369","0.0498","","","0.0903","0.1069","","","","","","0.795","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073010","16.2931","0.0007","18.4265","0.0008","20.346","0.0009","90","","90","","90","","6108.4","0.5","86","2","86","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DHP-(Fe(CO)3)2","","","- C36 H34 Fe2 O6 -","- C36 H34 Fe2 O6 -","- C288 H272 Fe16 O48 -","8","1","","Zhang, Rui; Fan, Wei; Twamley, Brendan; Berg, David J.; Mitchell, Reginald H.","Synthesis and Structures of Dimethyldihydropyrene Iron Carbonyl Complexes","Organometallics","2007","26","8","1888","","10.1021/om0700112","","","0.71073","MoKα","","0.0414","0.0378","","","0.0916","0.094","","","","","","1.067","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073067","16.478","0.0013","18.948","0.0014","32.554","0.003","90","","90","","90","","10164.2","1.4","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H54 Cl5 F6 P3 Ru -","- C51 H54 Cl5 F6 P3 Ru -","- C408 H432 Cl40 F48 P24 Ru8 -","8","1","","Chaplin, Adrian B.; Dyson, Paul J.","Catalytic Activity of Bis-phosphine Ruthenium(II)−Arene Compounds: Structure−Activity Correlations","Organometallics","2007","26","9","2447","","10.1021/om070050d","","","0.71073","MoKα","","0.1131","0.0672","","","0.1497","0.17","","","","","","1.079","","","","has coordinates,has disorder","178619","2020-10-21","18:00:00",""
"4073209","14.0141","0.0012","13.8065","0.0012","17.5198","0.0015","90","","90","","90","","3389.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18.38 H19.13 Cl1.63 Cr N -","- C18.387 H19.161 Cl1.613 Cr N -","- C147.096 H153.288 Cl12.904 Cr8 N8 -","8","1","","Fernández, Pablo; Pritzkow, Hans; Carbó, Jorge J.; Hofmann, Peter; Enders, Markus","1H NMR Investigation of Paramagnetic Chromium(III) Olefin Polymerization Catalysts: Experimental Results, Shift Assignment and Prediction by Quantum Chemical Calculations†","Organometallics","2007","26","18","4402","","10.1021/om070173y","","","0.71073","MoKα","","0.0761","0.0494","","","0.1233","0.1395","","","","","","1.098","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4073353","7.3144","0.0013","10.319","0.0018","43.365","0.008","90","","90","","90","","3273.1","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Br2 N2 Pd -","- C14 H24 Br2 N2 Pd -","- C112 H192 Br16 N16 Pd8 -","8","1","","Guo, Ruiyun; Portscheller, Janelle L.; Day, Victor W.; Malinakova, Helena C.","An Allylpalladium(IV) Intermediate in the Synthesis of Highly Substituted Benzoxepines and Benzopyrans via Reactions of Stable Pallada(II)cycles with Allyl Bromides","Organometallics","2007","26","15","3874","","10.1021/om7002865","","","0.71073","MoKα","","0.1164","0.0586","","","0.1021","0.1157","","","","","","0.949","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073460","15.552","0.012","10.704","0.008","22.633","0.018","90","","90","","90","","3768","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C168 H184 O16 P8 S8 -","- C168 H184 O16 P8 S8 -","- C168 H184 O16 P8 S8 -","1","0.125","","Duan, Zheng; Clochard, Magali; Donnadieu, Bruno; Mathey, François; Tham, Fook S.","Synthesis and X-ray Crystal Structure of a P-Confused Carbaporphyrinoid","Organometallics","2007","26","15","3617","","10.1021/om700344q","","","0.71073","MoKα","","0.1295","0.0735","","","0.1507","0.1754","","","","","","1.098","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073515","18.34","0.002","15.2377","0.0018","20.012","0.003","90","","90","","90","","5592.5","1.2","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H35 F3 N2 O3 P2 Pd S -","- C22 H35 F3 N2 O3 P2 Pd S -","- C176 H280 F24 N16 O24 P16 Pd8 S8 -","8","1","","Weng, Wei; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.","Palladium Complexes of a P2C Ligand Containing a Central Carbene Moiety","Organometallics","2007","26","14","3315","","10.1021/om700414t","","","0.71073","MoKα","","0.044","0.0255","","0.0635","0.0519","0.0635","","","","","","0.9213","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073542","11.8474","0.0006","16.9853","0.0008","23.2002","0.001","90","","90","","90","","4668.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl5 N2 Pt -","- C18 H31 Cl5 N2 Pt -","- C144 H248 Cl40 N16 Pt8 -","8","1","","Fantasia, Serena; Jacobsen, Heiko; Cavallo, Luigi; Nolan, Steven P.","Insertion of a N-Heterocyclic Carbene (NHC) into a Platinum−Olefin Bond","Organometallics","2007","26","14","3286","","10.1021/om700447u","","","0.71073","MoKα","","0.0493","0.0376","","","0.0853","0.09","","","","","","1.083","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073543","13.6364","0.0013","12.0796","0.0011","13.9393","0.0011","90","","90","","90","","2296.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H4 B Br2 Mn O3 -","- C8 H4 B Br2 Mn O3 -","- C64 H32 B8 Br16 Mn8 O24 -","8","1","","Kunz, Kerstin; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mn(CO)2Complexes of Cyclopentadienyl/Scorpionate Hybrid Ligands","Organometallics","2007","26","18","4663","","10.1021/om700450j","","","0.71073","MoKα","","0.0979","0.0618","","","0.1048","0.1148","","","","","","1.084","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073555","20.613","0.0006","21.261","0.0006","27.921","0.001","90","","90","","90","","12236.5","0.7","230","0.1","230","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H68 N7 P3 Zr -","- C69 H60 N7 P3 Zr -","- C552 H480 N56 P24 Zr8 -","8","1","","Smolensky, Elena; Kapon, Moshe; Eisen, Moris S.","Intermolecular Hydroamination of Methylenecyclopropane Catalyzed by Group IV Metal Complexes","Organometallics","2007","26","18","4510","","10.1021/om700455e","","","0.71073","MoKα","","0.1475","0.0563","","","0.1136","0.1334","","","","","","0.881","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073578","9.4352","0.0003","12.5514","0.0004","31.2216","0.001","90","","90","","90","","3697.4","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cr Si2 -","- C19 H26 Cr Si2 -","- C152 H208 Cr8 Si16 -","8","1","","Braunschweig, Holger; Kupfer, Thomas","Transition-Metal-Catalyzed Bis-Silylation of Propyne by [2]Chromoarenophanes","Organometallics","2007","26","18","4634","","10.1021/om700479h","","","0.71073","MoKα","","0.0323","0.0308","","","0.0735","0.0743","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073592","16.98","0.001","33.843","0.002","18.534","0.001","90","","90","","90","","10650.6","1.1","296.2","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","complex 1a","","","- C51 H83 Cl N O2 P2 Rh -","- C51 H83 Cl N O2 P2 Rh -","- C408 H664 Cl8 N8 O16 P16 Rh8 -","8","1","","Hayashi, Akito; Okazaki, Masaaki; Ozawa, Fumiyuki; Tanaka, Rika","Synthesis, Structures, and Catalytic Properties of Late-Transition-Metal 2,6-Bis(2-phosphaethenyl)pyridine Complexes","Organometallics","2007","26","21","5246","","10.1021/om700488y","","x-ray","0.7107","MoKα","","","0.063","","","","0.1831","","","","","","1.032","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073665","22.7759","0.0019","18.791","0.004","26.845","0.003","90","","90","","90","","11489","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 Fe O2 P2 Ru S -","- C65 H51 Cl3 Fe O2 P2 Ru S -","- C520 H408 Cl24 Fe8 O16 P16 Ru8 S8 -","8","1","","Cowley, Andrew R.; Hector, Andrew L.; Hill, Anthony F.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Synthesis and Reactions of Five-Coordinate Mono- and Binuclear Thiocarbonyl−Alkenyl and Thioacyl Complexes of Ruthenium(II)","Organometallics","2007","26","25","6114","","10.1021/om700518m","","","0.71073","MoKα","","0.1256","0.0608","","","0.1317","0.1503","","","","","","0.977","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073695","17.2381","0.0009","9.518","0.0005","17.8717","0.0009","90","","90","","90","","2932.2","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Br2 N4 Pt -","- C26 H36 Br2 N4 Pt -","- C104 H144 Br8 N16 Pt4 -","4","0.5","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Mono- vs Bis(carbene) Complexes: A Detailed Study on Platinum(II)−Benzimidazolin-2-ylidenes","Organometallics","2007","26","18","4612","","10.1021/om700543p","","","0.71073","MoKα","","0.0538","0.0269","","","0.061","0.0692","","","","","","0.992","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073698","17.1196","0.0007","9.7318","0.0004","29.7136","0.0011","90","","90","","90","","4950.4","0.3","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 Br2 N3 O Pt -","- C22 H31 Br2 N3 O Pt -","- C176 H248 Br16 N24 O8 Pt8 -","8","1","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Mono- vs Bis(carbene) Complexes: A Detailed Study on Platinum(II)−Benzimidazolin-2-ylidenes","Organometallics","2007","26","18","4612","","10.1021/om700543p","","","0.71073","MoKα","","0.0444","0.0305","","","0.0636","0.0675","","","","","","1.022","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4073709","15.9742","0.0007","22.7462","0.0011","18.2842","0.0013","90","","90","","90","","6643.6","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H53 Ga O Yb -","- C34 H53 Ga O Yb -","- C272 H424 Ga8 O8 Yb8 -","8","1","","Wiecko, Michal; Roesky, Peter W.","Gallium(I)−Lanthanide(II) Donor−Acceptor Bonds","Organometallics","2007","26","19","4846","","10.1021/om7005672","","","0.71073","MoKα","","0.0425","0.0259","","","0.0469","0.0496","","","","","","1.004","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073712","19.945","0.0001","9.597","0.0002","31.168","0.0003","90","","90","","90","","5965.93","0.14","150","2","150","2","","","","","","","synthesized by the authors","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 O2 Sn -","- C34 H40 O2 Sn -","- C272 H320 O16 Sn8 -","8","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.71073","MoKα","","0.0618","0.0337","","","0.0748","0.0847","","","","","","1.034","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073720","18.062","0.0002","11.654","0.0003","18.445","0.0003","90","","90","","90","","3882.57","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl2 O2 Sn -","- C18 H22 Cl2 O2 Sn -","- C144 H176 Cl16 O16 Sn8 -","8","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.7107","MoKα","","0.0274","0.023","","","0.0615","0.0637","","","","","","1.03","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073744","20.091","0.003","19.288","0.002","29.998","0.004","90","","90","","90","","11625","3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H82 Li6 N4 -","- C64 H82 Li6 N4 -","- C512 H656 Li48 N32 -","8","1","","Koller, Jürgen; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of (2,6-iPrNCN)HfCl2-and (3,5-MeNCN)2Hf2-(where NCN = 2,6-bis[phenylazanidyl]methylphenyl): New Trianionic Pincer Ligands","Organometallics","2007","26","22","5438","","10.1021/om700597u","","","0.71073","MoKα","","0.1887","0.0589","","","0.0916","0.1242","","","","","","0.874","","","","has coordinates,has disorder","178626","2020-10-21","18:00:00",""
"4073748","17.62","0.001","19.713","0.001","20.132","0.001","90","","90","","90","","6992.7","0.6","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Au F6 N3 O4 S2 -","- C29 H36 Au F6 N3 O4 S2 -","- C232 H288 Au8 F48 N24 O32 S16 -","8","1","","Ricard, Louis; Gagosz, Fabien","Synthesis and Reactivity of Air-Stable N-Heterocyclic Carbene Gold(I) Bis(trifluoromethanesulfonyl)imidate Complexes","Organometallics","2007","26","19","4704","","10.1021/om7006002","","","0.71069","MoKα","","0.044","0.0272","","","0.0713","0.0781","","","","","","1.031","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073766","16.2756","0.0018","18.041","0.002","23.284","0.003","90","","90","","90","","6836.8","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N6 Ni O3 S -","- C38 H38 N6 Ni O3 S -","- C304 H304 N48 Ni8 O24 S8 -","8","1","","Liao, Chuang-Yi; Chan, Kai-Ting; Chang, Yu-Chuan; Chen, Chih-Yuan; Tu, Cheng-Yi; Hu, Ching-Han; Lee, Hon Man","Unexpected Solvent-Induced Cis/Trans Isomerization and Catalytic Application of a Bis-bidentate Nickel(II) Complex with N-Heterocyclic Carbene and Amido Functionalities","Organometallics","2007","26","24","5826","","10.1021/om700607m","","x-ray","0.71073","MoKα","","0.1138","0.0488","","","0.0998","0.1216","","","","","","1.008","","","","has coordinates,has disorder","178626","2020-10-21","18:00:00",""
"4073825","18.083","0.003","15.268","0.003","23.643","0.005","90","","90","","90","","6528","2","243.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl2 N O Ti -","- C33 H45 Cl2 N O Ti -","- C264 H360 Cl16 N8 O8 Ti8 -","8","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.037","","","","0.0976","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073828","13.129","0.004","14.93","0.003","24.791","0.006","90","","90","","90","","4859","2","243.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H29 Cl2 N O Ti -","- C25 H29 Cl2 N O Ti -","- C200 H232 Cl16 N8 O8 Ti8 -","8","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.0443","","","","0.0973","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073871","17.636","0.004","17.126","0.003","35.532","0.007","90","","90","","90","","10732","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H41 B F20 N2 O3 W -","- C57 H41 B F20 N2 O3 W -","- C456 H328 B8 F160 N16 O24 W8 -","8","1","","Wu, Fan; Dioumaev, Vladimir K.; Szalda, David J.; Hanson, Jonathan; Bullock, R. Morris","A Tungsten Complex with a Bidentate, Hemilabile N-Heterocyclic Carbene Ligand, Facile Displacement of the Weakly Bound W−(CC) Bond, and the Vulnerability of the NHC Ligand toward Catalyst Deactivation during Ketone Hydrogenation","Organometallics","2007","26","20","5079","","10.1021/om700694e","","","0.922","synchrotron","","0.0952","0.0607","","","0.1539","0.1733","","","","","","1.047","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073940","10.106","0.002","22.497","0.005","30.43","0.006","90","","90","","90","","6918","2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H54 Si9 -","- C18 H54 Si9 -","- C144 H432 Si72 -","8","1","","Wagner, Harald; Wallner, Andreas; Fischer, Jelena; Flock, Michaela; Baumgartner, Judith; Marschner, Christoph","Rearrangement of Cyclic Silanes with Aluminum Trichloride","Organometallics","2007","26","27","6704","","10.1021/om7007524","","","0.71073","MoKα","","0.0906","0.0763","","","0.1595","0.1656","","","","","","1.295","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073966","18.366","0.0018","14.5829","0.0015","19.565","0.002","90","","90","","90","","5240.1","0.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H48 N2 O14 P2 W2 -","- C54 H52 N2 O14 P2 W2 -","- C216 H208 N8 O56 P8 W8 -","4","0.5","","Darensbourg, Donald J.; Andreatta, Jeremy R.; Stranahan, Sarah M.; Reibenspies, Joseph H.","What is the Real Steric Impact of Triphenylphosphite? Solid-State and Solution Structural Studies ofcis- andtrans-Isomers of M(CO)4[P(OPh)3]2(M = Mo and W)","Organometallics","2007","26","27","6832","","10.1021/om700761q","","","0.71073","MoKα","","0.0569","0.0504","","","0.1237","0.1345","","","","","","1.084","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074025","11.3646","0.001","20.8314","0.0018","34.466","0.003","90","","90","","90","","8159.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 3","","","- C38 H68 Al N6 Na O -","- C38 H68 Al N6 Na O -","- C304 H544 Al8 N48 Na8 O8 -","8","1","","Cortes-Llamas, Sara A.; Muñoz-Hernández, Miguel-Ángel","Sodium Polypyrazolylaluminates: Synthesis, Characterization, and Isolation of a Reaction Intermediate of a Trispyrazolylaluminate","Organometallics","2007","26","27","6844","","10.1021/om700828b","","","0.71073","MoKα","","0.0607","0.0463","","","0.1148","0.1249","","","","","","0.946","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074084","12.8652","0.0004","17.5997","0.0004","19.9029","0.0007","90","","90","","90","","4506.5","0.2","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 K N3 Si3 -","- C16 H36 K N3 Si3 -","- C128 H288 K8 N24 Si24 -","8","1","","Coles, Martyn P.; Sözerli, Sebnem E.; Smith, J. David; Hitchcock, Peter B.","Metal Complexes of Guanidine-Substituted Alkyl Ligands: An Unsolvated Monomeric Two-Coordinate Organolithium","Organometallics","2007","26","27","6691","","10.1021/om700963c","","x-ray","0.71073","MoKα","","0.0525","0.0367","","","0.0844","0.0915","","","","","","1.033","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074200","16.7318","0.0002","16.5324","0.0002","18.7277","0.0003","90","","90","","90","","5180.4","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetrakis-(2,4-dichloro-phenyl)stannane","","- C24 H12 Cl8 Sn -","- C24 H12 Cl8 Sn -","- C192 H96 Cl64 Sn8 -","8","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0371","0.0256","","","0.0546","0.0585","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074213","10.0921","0.0002","17.0645","0.0003","33.8558","0.0006","90","","90","","90","","5830.53","0.19","90","0.2","90","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H41 Cl N2 P2 Ru -","- C29 H41 Cl N2 P2 Ru -","- C232 H328 Cl8 N16 P16 Ru8 -","8","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0851","0.0426","","","0.0963","0.1137","","","","","","1.057","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074230","12.731","0.003","14.117","0.003","29.964","0.006","90","","90","","90","","5385","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Co2 O6 Si4 -","- C17 H28 Co2 O6 Si4 -","- C136 H224 Co16 O48 Si32 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.1015","0.0975","","","0.1867","0.1884","","","","","","1.404","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074245","13.334","0.0001","8.558","0.0002","22.036","0.0004","90","","90","","90","","2514.58","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 O2 Sb -","- C10 H13 Cl2 O2 Sb -","- C80 H104 Cl16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0342","0.0261","","","0.06","0.0652","","","","","","1.14","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074247","14.028","0.0001","8.098","0.0002","25.426","0.0003","90","","90","","90","","2888.36","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 I2 O2 Sb -","- C10 H13 I2 O2 Sb -","- C80 H104 I16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0239","0.0206","","","0.0477","0.0496","","","","","","1.136","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074267","10.7234","0.0006","14.3049","0.0008","16.7704","0.001","90","","90","","90","","2572.5","0.3","115","2","115","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 F3 P Rh -","- C11 H17 F3 P Rh -","- C88 H136 F24 P8 Rh8 -","8","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0284","0.0251","","","0.0645","0.0662","","","","","","1.033","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074285","22.428","0.0001","14.053","0.0002","26.975","0.0003","90","","90","","90","","8502","0.16","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C32 H57 B18 Co O2 Sn -","- C32 H57 B18 Co O2 Sn -","- C256 H456 B144 Co8 O16 Sn8 -","8","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0889","0.047","","","0.1079","0.1273","","","","","","1.022","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074319","12.947","0.003","16.041","0.004","17.013","0.005","90","","90","","90","","3533.3","1.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Fe N O S -","- C19 H21 Fe N O S -","- C152 H168 Fe8 N8 O8 S8 -","8","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.1556","0.1156","","","0.1996","0.2183","","","","","","1.325","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074340","10.3219","0.0006","11.117","0.0007","30.546","0.002","90","","90","","90","","3505.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl N O4 Si -","- C18 H20 Cl N O4 Si -","- C144 H160 Cl8 N8 O32 Si8 -","8","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0528","0.0373","","","0.0933","0.0998","","","","","","1.023","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074443","29.475","0.003","9.9062","0.0007","30.888","0.004","90","","90","","90","","9018.8","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H108 F18 Na2 O24 S6 U2 -","- C70 H108 F18 Na2 O24 S6 U2 -","- C280 H432 F72 Na8 O96 S24 U8 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.1423","0.0601","","","0.1063","0.1228","","","","","","0.979","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074526","13.9931","0.0007","15.0248","0.0007","21.9786","0.0012","90","","90","","90","","4620.9","0.4","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N O2 P W -","- C25 H30 N O2 P W -","- C200 H240 N8 O16 P8 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0496","0.026","","","0.0545","0.0613","","","","","","1.091","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074543","15.896","0.003","16.054","0.003","18.968","0.003","90","","90","","90","","4840.5","1.5","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 N2 P Pd -","- C25 H27 Cl2 N2 P Pd -","- C200 H216 Cl16 N16 P8 Pd8 -","8","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0568","0.0442","","","0.0927","0.0976","","","","","","1.098","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074553","11.8225","0.0013","14.7615","0.0016","33.447","0.004","90","","90","","90","","5837.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H39 Al3 N3 P -","- C27 H39 Al3 N3 P -","- C216 H312 Al24 N24 P8 -","8","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0555","0.0446","","","0.1079","0.119","","","","","","1.112","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074623","15.497","0.003","8.758","0.0014","27.081","0.005","90","","90","","90","","3675.5","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Ga2 N4 -","- C18 H22 Ga2 N4 -","- C144 H176 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0705","0.0609","","","0.1429","0.1474","","","","","","0.998","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074624","8.9727","0.0018","17.608","0.003","26.764","0.005","90","","90","","90","","4228.5","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 Ga2 N4 -","- C21 H25 Ga2 N4 -","- C168 H200 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0622","0.0451","","","0.0982","0.1061","","","","","","1.039","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074656","31.612","0.003","16.459","0.002","8.331","0.002","90","","90","","90","","4334.6","1.2","291.2","","291.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Cl Ir N2 -","- C21 H34 Cl Ir N2 -","- C168 H272 Cl8 Ir8 N16 -","8","1","","Hanasaka, Fumihiro; Tanabe, Yusuke; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes and Facile Intramolecular Alkyl C−H Bond Activation Reactions of the Carbene Ligand","Organometallics","2006","25","4","826","","10.1021/om050723x","","","0.7107","MoKα","","0.0309","0.031","","0.035","","0.035","","","1.457","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074814","13.229","0.0008","15.9825","0.001","18.6367","0.0012","90","","90","","90","","3940.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Au N P -","- C19 H31 Au N P -","- C152 H248 Au8 N8 P8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0309","0.0219","","","0.0532","0.0585","","","","","","1.016","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074815","13.3126","0.0011","16.7227","0.0014","18.1608","0.0015","90","","90","","90","","4043","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N P Pt -","- C19 H32 N P Pt -","- C152 H256 N8 P8 Pt8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0371","0.0257","","","0.0596","0.065","","","","","","1.06","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074816","17.2031","0.0009","14.297","0.0007","32.2154","0.0016","90","","90","","90","","7923.5","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C288 H464 B8 Cl8 F32 N16 P16 Pt16 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0584","0.0492","","","0.1129","0.1198","","","","","","1.298","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074890","16.0892","0.0003","18.456","0.0004","20.1698","0.0004","90","","90","","90","","5989.3","0.2","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 B N7 O W -","- C29 H38 B N7 O W -","- C232 H304 B8 N56 O8 W8 -","8","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.051","0.027","","0.026","0.024","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074951","6.3802","0.0006","5.9324","0.0004","21.8428","0.0017","90","","90","","90","","826.75","0.12","140","2","140","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 Cl Zn -","- C2 H5 Cl Zn -","- C16 H40 Cl8 Zn8 -","8","1","","Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred","Synthesis and Crystal Structure of Ethyl Zinc Chloride","Organometallics","2006","25","6","1525","1527","10.1021/om051043x","","","0.71073","Mo-Kα","","0.0233","0.0225","","","0.0548","0.055","","","","","","1.335","","","","has coordinates","209912","2020-10-21","18:00:00",""
"4074976","15.454","0.0003","14.694","0.0003","23.737","0.0003","90","","90","","90","","5390.22","0.17","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Fe N O8 P -","- C26 H32 Fe N O8 P -","- C208 H256 Fe8 N8 O64 P8 -","8","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0478","0.0441","","","0.1105","0.1124","","","","","","1.073","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074982","16.817","0.0003","18.4174","0.0003","37.6423","0.0006","90","","90","","90","","11658.8","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H84 Mg N4 Na2 O4 -","- C56 H84 Mg N4 Na2 O4 -","- C448 H672 Mg8 N32 Na16 O32 -","8","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1598","0.0668","","","0.1188","0.1488","","","","","","1.011","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4075016","19.7425","0.0001","24.6941","0.0001","38.1453","0.0002","90","","90","","90","","18596.7","0.16","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound 3a","","","- C80 H108 Cd F20 N2 O Pt2 -","- C80 H108 Cd F20 N2 O Pt2 -","- C640 H864 Cd8 F160 N16 O8 Pt16 -","8","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0908","0.0588","","","0.1612","0.1936","","","","","","1.069","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075018","13.42","0.005","18.214","0.012","31.5","0.02","90","","90","","90","","7700","8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0847","0.0749","","","0.1807","0.1896","","","","","","1.124","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075019","13.634","0.003","18.426","0.004","32.261","0.007","90","","90","","90","","8105","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0626","0.0552","","","0.1395","0.1451","","","","","","1.204","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075020","13.4117","0.0005","18.2367","0.0007","31.5142","0.0012","90","","90","","90","","7707.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0711","0.0375","","","0.0844","0.1028","","","","","","1.012","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075022","13.4402","0.0007","18.2669","0.001","31.5543","0.0018","90","","90","","90","","7746.9","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0672","0.0404","","","0.1022","0.1116","","","","","","0.963","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075023","13.582","0.003","18.654","0.004","32.019","0.006","90","","90","","90","","8112","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.1055","0.0902","","","0.2619","0.2755","","","","","","1.146","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075025","13.448","0.003","18.352","0.004","31.591","0.007","90","","90","","90","","7797","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb2 Si2 -","- C30 H54 N4 P2 Pb2 Si2 -","- C240 H432 N32 P16 Pb16 Si16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0743","0.0324","","","0.059","0.0673","","","","","","0.876","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075027","12.5944","0.0012","12.1571","0.0009","17.0443","0.0014","90","","90","","90","","2609.7","0.4","73","2","73","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","RhIPTN(Me)CO","","","- C8 H16 I N3 O P Rh -","- C8 H16 I N3 O P Rh -","- C64 H128 I8 N24 O8 P8 Rh8 -","8","1","","Phillips, Andrew D.; Bolaño, Sandra; Bosquain, Sylvain S.; Daran, Jean-Claude; Malacea, Raluca; Peruzzini, Maurizio; Poli, Rinaldo; Gonsalvi, Luca","A New Class of Rhodium(I) κ1-Pand κ2-P,NComplexes with Rigid PTN(R) Ligands (PTN = 7-Phospha-3-methyl-1,3,5-triazabicyclo[3.3.1]nonane)","Organometallics","2006","25","9","2189","","10.1021/om051099r","","","0.71073","MoKα","","0.0452","0.0344","","","0.0787","0.084","","","","","","1.082","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075029","16.2821","0.001","12.3917","0.0008","27.172","0.0017","90","","90","","90","","5482.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(eta1-[2.2.2]paracyclophane)- tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)","","- C56 H48 F12 O8 Rh2 -","- C56 H48 F12 O8 Rh2 -","- C224 H192 F48 O32 Rh8 -","4","0.5","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0601","0.0503","","","0.1316","0.1413","","","","","","1.03","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075092","16.8836","0.0005","7.7972","0.0003","17.912","0.0006","90","","90","","90","","2358.02","0.14","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 Pt -","- C12 H15 N3 Pt -","- C96 H120 N24 Pt8 -","8","1","","Britovsek, George J. P.; Taylor, Russell A.; Sunley, Glenn J.; Law, David J.; White, Andrew J. P.","Protonation of Platinum(II) Dialkyl Complexes Containing Ligands with Proximate H-Bonding Substituents","Organometallics","2006","25","8","2074","","10.1021/om060036l","","","0.71073","MoKα","","0.0478","0.0472","","","0.1227","0.1233","","","","","","1.279","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075114","12.1448","0.0007","16.2297","0.0011","29.596","0.002","90","","90","","90","","5833.6","0.7","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B9 Mo N3 O -","- C22 H42 B9 Mo N3 O -","- C176 H336 B72 Mo8 N24 O8 -","8","1","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0651","0.0352","","","0.0774","0.0863","","","","","","1.03","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075168","15.5538","0.0006","15.3753","0.0006","28.002","0.0011","90","","90","","90","","6696.5","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Ti -","- C23 H49 B10 N4 O P Ti -","- C184 H392 B80 N32 O8 P8 Ti8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.0929","0.0551","","","0.1532","0.1834","","","","","","1.062","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075169","15.7404","0.0008","15.3928","0.0007","27.9697","0.0013","90","","90","","90","","6776.7","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Zr -","- C23 H49 B10 N4 O P Zr -","- C184 H392 B80 N32 O8 P8 Zr8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1525","0.0909","","","0.2156","0.2785","","","","","","1.096","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075182","13.8835","0.0002","18.8229","0.0003","24.528","0.0005","90","","90","","90","","6409.85","0.19","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","[PhNMe2(CH2Cl)][B(ArF)4]","","- C33 H13 B Cl F20 N -","- C33 H13 B Cl F20 N -","- C264 H104 B8 Cl8 F160 N8 -","8","1","","Bolton, Paul D.; Clot, Eric; Adams, Nico; Dubberley, Stuart R.; Cowley, Andrew R.; Mountford, Philip","Experimental and DFT Studies of Cationic Imido Titanium Alkyls: Agostic Interactions and C−H Bond and Solvent Activation Reactions of Isolobal Analogues of Group 4 Metallocenium Cations","Organometallics","2006","25","11","2806","","10.1021/om060096r","","","0.71073","MoKα","","","0.0372","","","","0.0396","","","","","","1.0698","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075192","13.181","0.004","17.03","0.005","24.82","0.008","90","","90","","90","","5571","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl2 Cr N P2 -","- C28 H29 Cl2 Cr N P2 -","- C224 H232 Cl16 Cr8 N8 P16 -","8","1","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.1185","0.06","","","0.1128","0.1366","","","","","","1.031","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075206","13.883","0.0008","14.5367","0.0007","17.2427","0.0008","90","","90","","90","","3479.8","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B7 Co2 O6 -","- C10 H15 B7 Co2 O6 -","- C80 H120 B56 Co16 O48 -","8","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.1133","0.0784","","","0.2005","0.225","","","","","","1.06","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075253","14.3366","0.001","21.9394","0.0015","29.751","0.002","90","","90","","90","","9357.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H42 Fe N6 O Sn2 -","- C47 H42 Fe N6 O Sn2 -","- C376 H336 Fe8 N48 O8 Sn16 -","8","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0835","0.051","","","0.1235","0.1414","","","","","","0.979","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075300","12.8641","0.0006","12.9076","0.0006","18.1202","0.0008","90","","90","","90","","3008.8","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C88 H144 B80 -","8","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0808","0.0577","","","0.163","0.1889","","","","","","1.039","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075319","17.465","0.007","15.145","0.007","17.87","0.008","90","","90","","90","","4727","4","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F6 N2 P Pt -","- C24 H25 F6 N2 P Pt -","- C192 H200 F48 N16 P8 Pt8 -","8","1","","Suzaki, Yuji; Osakada, Kohtaro","Chemical Properties of Mononuclear and Dinuclear Phenylplatinum(II) Hydroxo Complexes with Cod Ligands. Transmetalation of Arylboronic Acids, Coupling of the Phenyl Ligands, and Carbonylation","Organometallics","2006","25","13","3251","","10.1021/om060206u","","","0.7107","MoKα","","","0.0418","","","","0.0762","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075350","15.4164","0.0009","13.1723","0.0007","21.0485","0.0004","90","","90","","90","","4274.3","0.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O3 Ru -","- C27 H31 N O3 Ru -","- C216 H248 N8 O24 Ru8 -","8","1","","Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki","Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes","Organometallics","2006","25","12","2934","","10.1021/om060242t","","","0.71069","MoKα","","","0.0442","","","","0.1126","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075374","19.9908","0.0011","16.7232","0.0009","20.0723","0.0011","90","","90","","90","","6710.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H23 Al F15 Ta -","- C37 H23 Al F15 Ta -","- C296 H184 Al8 F120 Ta8 -","8","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.0398","0.0251","","","0.0587","0.0679","","","","","","1.059","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075380","16.4719","0.0008","17.0792","0.0007","22.1152","0.0014","90","","90","","90","","6221.6","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 O3 Ti -","- C38 H38 O3 Ti -","- C304 H304 O24 Ti8 -","8","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0779","0.0472","","","0.1193","0.1306","","","","","","0.952","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075386","19.961","0.002","15.566","0.001","26.987","0.002","90","","90","","90","","8385.2","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C49 H61 La N2 O -","- C49 H61 La N2 O -","- C392 H488 La8 N16 O8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0826","0.0423","","","0.0903","0.1077","","","","","","1.025","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075388","18.3872","0.0009","18.3346","0.0009","27.242","0.001","90","","90","","90","","9183.9","0.7","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C54 H66 B La O4 -","- C54 H66 B La O4 -","- C432 H528 B8 La8 O32 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0604","0.0365","","","0.0775","0.0859","","","","","","1.016","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075439","17.775","0.002","20.181","0.002","30.309","0.003","90","","90","","90","","10872","2","100","1","100","1","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C54 H88 B N4 O2 Si2 Y -","- C50 H80 B N4 O Si2 Y -","- C400 H640 B8 N32 O8 Si16 Y8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1218","0.0622","","","0.1444","0.1637","","","","","","0.972","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075463","12.6356","0.0007","19.2328","0.0011","24.6795","0.0014","90","","90","","90","","5997.6","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H39.5 N2 Ni S -","- C36 H39.5 N2 Ni S -","- C288 H316 N16 Ni8 S8 -","8","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0598","0.0473","","","0.132","0.1374","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075508","15.4404","0.0004","14.5893","0.0005","18.4586","0.0005","90","","90","","90","","4158.1","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Li N3 Zn -","- C17 H40 Li N3 Zn -","- C136 H320 Li8 N24 Zn8 -","8","1","","Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Lithium Dimethyl(amido)zinc Complexes: Contrasting Zincate (Amido = TMP) and Inverse Zincate (Amido = HMDS) Structures on Addition of TMEDA","Organometallics","2006","25","14","3297","","10.1021/om060334i","","","0.71073","MoKα","","0.102","0.0414","","","0.0664","0.0806","","","","","","1.006","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075560","16.2785","0.0002","16.9519","0.0002","27.6714","0.0005","90","","90","","90","","7635.96","0.19","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H54 O2 Si Ti -","- C44 H54 O2 Si Ti -","- C352 H432 O16 Si8 Ti8 -","8","1","","González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt","Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2","Organometallics","2006","25","18","4358","","10.1021/om060368q","","","0.71073","MoKα","","0.0783","0.061","","","0.1089","0.1146","","","","","","1.204","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075578","21.235","0.006","11.528","0.003","24.514","0.007","90","","90","","90","","6001","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B9 Cl3 Ir2 O S2 -","- C20 H38 B9 Cl3 Ir2 O S2 -","- C160 H304 B72 Cl24 Ir16 O8 S16 -","8","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0653","0.0369","","","0.0732","0.0838","","","","","","1.012","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075587","13.481","0.002","17.536","0.003","23.734","0.004","90","","90","","90","","5610.8","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H45 I N2 Si4 Sn -","- C17 H45 I N2 Si4 Sn -","- C136 H360 I8 N16 Si32 Sn8 -","8","1","","Bartolin, Jeffrey M.; Kavara, Ajdin; Kampf, Jeff; Banaszak Holl, Mark M.","Tin-Mediated CH Activation and Cross-Coupling in a Single Flask","Organometallics","2006","25","20","4738","","10.1021/om060388s","","","0.71073","MoKα","","0.0243","0.0202","","","0.0475","0.0493","","","","","","1.104","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075612","18.1068","0.0011","20.7282","0.0013","20.7627","0.0013","90","","90","","90","","7792.7","0.8","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H33 N4 O15 P Pt -","- C37 H33 N4 O15 P Pt -","- C296 H264 N32 O120 P8 Pt8 -","8","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.027","0.0191","","","0.0462","0.0495","","","","","","1.028","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075638","10.4699","0.001","23.469","0.002","23.67","0.002","90","","90","","90","","5816.1","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Cl2 Fe2 N O4 -","- C28 H25 Cl2 Fe2 N O4 -","- C224 H200 Cl16 Fe16 N8 O32 -","8","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.1672","0.0741","","","0.1653","0.2006","","","","","","0.944","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075643","12.6248","0.0001","17.9528","0.0001","27.0927","0.0002","90","","90","","90","","6140.57","0.07","173","1","173","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H38 N3 O2 P Pd -","- C35 H38 N3 O2 P Pd -","- C280 H304 N24 O16 P8 Pd8 -","8","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0384","0.0291","","","0.0679","0.0717","","","","","","1.035","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075678","26.1543","0.0014","15.383","0.0008","31.5394","0.0017","90","","90","","90","","12689.3","1.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H73 O2 P2 Pt -","- C78 H73 O2 P2 Pt -","- C624 H584 O16 P16 Pt8 -","8","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0978","0.0509","","","0.1009","0.1116","","","","","","1.017","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075700","10.146","0.003","15.736","0.005","34.459","0.012","90","","90","","90","","5502","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 S2 -","- C17 H25 B10 Co2 Ir O5 S2 -","- C136 H200 B80 Co16 Ir8 O40 S16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0491","0.0381","","","0.0935","0.0986","","","","","","1.208","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075701","10.154","0.003","16.051","0.004","34.606","0.01","90","","90","","90","","5640","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 Se2 -","- C17 H25 B10 Co2 Ir O5 Se2 -","- C136 H200 B80 Co16 Ir8 O40 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0719","0.049","","","0.0964","0.113","","","","","","1.168","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075702","18.076","0.007","14.012","0.005","19.787","0.007","90","","90","","90","","5012","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe Ir O3 Se2 -","- C15 H25 B10 Fe Ir O3 Se2 -","- C120 H200 B80 Fe8 Ir8 O24 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0577","0.0314","","","0.0648","0.0769","","","","","","1.062","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075817","16.191","0.003","15.763","0.003","19.781","0.004","90","","90","","90","","5048.5","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C192 H256 B72 Rh8 -","8","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.1223","0.0419","","","0.0935","0.109","","","","","","0.849","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075825","10.141","0.004","14.429","0.004","24.061","0.007","90","","90","","90","","3521","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B8 Ru -","- C13 H26 B8 Ru -","- C104 H208 B64 Ru8 -","8","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.1177","0.0608","","","0.1251","0.1411","","","","","","1.02","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075856","20.4244","0.0005","19.9666","0.0005","29.2898","0.0008","90","","90","","90","","11944.6","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Al N6 P2 Si4 Ta2 -","- C52 H73 Al N6 P2 Si4 Ta2 -","- C416 H584 Al8 N48 P16 Si32 Ta16 -","8","1","","MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.","Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement","Organometallics","2005","24","16","3836","","10.1021/om050208z","","","0.71069","MoKα","","0.0771","0.0344","","","0.0726","0.087","","","","","","0.833","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"4075937","17.5179","0.0013","11.9804","0.0009","25.3939","0.0019","90","","90","","90","","5329.5","0.7","293","2","258","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mono adduct of 1,4 diphenylbutadiyne (5)","","","- C29 H26 Mo2 S4 -","- C29 H26 Mo2 S4 -","- C232 H208 Mo16 S32 -","8","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.1884","0.0802","","","0.1511","0.192","","","","","","0.951","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075948","7.732","0.001","18.38","0.001","33.917","0.001","90","","90","","90","","4820.1","0.7","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl P Zr -","- C28 H26 Cl P Zr -","- C224 H208 Cl8 P8 Zr8 -","8","1","","Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian","Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines","Organometallics","2005","24","20","4742","","10.1021/om050336n","","","0.71073","MoKα","","0.056","0.0349","","","0.0761","0.083","","","","","","1.016","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076086","20.3845","0.0008","21.7255","0.0008","43.1498","0.0019","90","","90","","90","","19109.5","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H63 N2 P3 Ru Si4 -","- C44.5 H63 N2 P3 Ru Si4 -","- C712 H1008 N32 P48 Ru16 Si64 -","16","2","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.71069","MoKα","","0.0831","0.0642","","","0.1484","0.1581","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076102","12.527","0.001","13.747","0.001","15.721","0.001","90","","90","","90","","2707.3","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 N Ti -","- C13 H13 Cl2 N Ti -","- C104 H104 Cl16 N8 Ti8 -","8","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.043","0.0313","","","0.0746","0.0801","","","","","","1.027","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076110","10.123","0.002","15.764","0.004","34.566","0.008","90","","90","","90","","5516","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh S2 -","- C17 H25 B10 Co2 O5 Rh S2 -","- C136 H200 B80 Co16 O40 Rh8 S16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0756","0.0535","","","0.1034","0.1204","","","","","","1.172","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076111","10.129","0.002","16.048","0.004","34.604","0.008","90","","90","","90","","5625","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh Se2 -","- C17 H25 B10 Co2 O5 Rh Se2 -","- C136 H200 B80 Co16 O40 Rh8 Se16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0672","0.0429","","","0.0802","0.0882","","","","","","1.059","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076165","17.4129","0.0004","21.1733","0.0005","26.7744","0.0006","90","","90","","90","","9871.4","0.4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H81 Al N6 O -","- C53 H81 Al N6 O -","- C424 H648 Al8 N48 O8 -","8","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0586","0.0418","","","0.1057","0.1124","","","","","","1.036","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076260","20.337","0.001","14.775","0.001","23.608","0.001","90","","90","","90","","7093.7","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H45 I N O3 P Pd -","- C36 H45 I N O3 P Pd -","- C288 H360 I8 N8 O24 P8 Pd8 -","8","1","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.2744","0.076","","","0.155","0.2117","","","","","","0.872","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076339","16.835","0.0011","10.0153","0.0006","23.5193","0.0014","90","","90","","90","","3965.5","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H21 N2 P -","- C25 H21 N2 P -","- C200 H168 N16 P8 -","8","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.1408","0.0564","","","0.1143","0.1423","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076371","16.49","0.0005","31.31","0.001","17.71","0.0005","90","","90","","90","","9143.7","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55.5 H43 Cl O P3 Rh Si -","- C55.5 H43 Cl O P3 Rh Si -","- C444 H344 Cl8 O8 P24 Rh8 Si8 -","8","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0458","0.0433","","","0.084","0.085","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076417","12.8813","0.001","16.6456","0.0013","32.319","0.002","90","","90","","90","","6929.7","0.9","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H51 N4 Nb -","- C35 H51 N4 Nb -","- C280 H408 N32 Nb8 -","8","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio","New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions","Organometallics","2012","31","5","1840","","10.1021/om201192w","","","0.71073","MoKα","","0.1506","0.0615","","","0.1211","0.1496","","","","","","0.977","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076447","9.1974","0.0002","15.1196","0.0004","24.5587","0.0008","90","","90","","90","","3415.16","0.16","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","JMM02047","JMM02047","","- C17 H29 Ir N2 -","- C17 H29 Ir N2 -","- C136 H232 Ir8 N16 -","8","1","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.0967","0.0371","","","0.0799","0.0984","","","","","","0.89","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076572","14.0313","0.0012","15.0391","0.0013","18.2127","0.0016","90","","90","","90","","3843.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","11167b","","","- C21 H18 Cl Mo O2 P -","- C21 H18 Cl Mo O2 P -","- C168 H144 Cl8 Mo8 O16 P8 -","8","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0348","0.0258","","","0.0589","0.0635","","","","","","1.018","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076630","7.429","0.0001","13.7402","0.0002","26.0687","0.0004","90","","90","","90","","2660.99","0.07","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","DiMauro, Erin F.; Kozlowski, Marisa C.","Late-Transition-Metal Complexes of BINOL-Derived Salens: Synthesis, Structure, and Reactivity","Organometallics","2002","21","7","1454","","10.1021/om010571f","","","0.71069","MoKα","","0.072","0.0629","","0.1253","0.1198","","","","1.304","1.305","1.305","","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076711","22.112","0.0003","21.537","0.0004","27.987","0.0005","90","","90","","90","","13328.1","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 B22 Li N2 O6 Sm -","- C46 H90 B22 Li N2 O6 Sm -","- C368 H720 B176 Li8 N16 O48 Sm8 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0794","0.0612","","","0.1683","0.184","","","","","","1.015","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076713","22.2311","0.001","21.2643","0.001","27.965","0.0014","90","","90","","90","","13219.9","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 B22 Li N2 O6 Yb -","- C46 H90 B22 Li N2 O6 Yb -","- C368 H720 B176 Li8 N16 O48 Yb8 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0958","0.0474","","","0.1183","0.1537","","","","","","1.068","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076762","11.959","0.0017","16.271","0.003","21.31","0.003","90","","90","","90","","4146.6","1.1","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H58 O6 Ti2 -","- C44 H58 O6 Ti2 -","- C176 H232 O24 Ti8 -","4","0.5","","Knjazhanski, Sergei Ya.; Cadenas, Gregorio; García, Maricela; Pérez, Catalina M.; Nifant'ev, Ilya E.; Kashulin, Igor A.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","(Fluorenyl)titanium Triisopropoxide and Bis(fluorenyl)titanium Diisopropoxide: A Facile Synthesis, Molecular Structure, and Catalytic Activity in Styrene Polymerization","Organometallics","2002","21","15","3094","","10.1021/om011080y","","","0.71073","MoKα","","0.0808","0.06","","","0.1467","0.1618","","","","","","1.107","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076847","15.4663","0.0013","13.7007","0.0011","23.544","0.002","90","","90","","90","","4989","0.7","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cr N6 O4 -","- C16 H36 Cr N6 O4 P2 -","- C128 H288 Cr8 N48 O32 P16 -","8","1","","Brunet, Jean-Jacques; Diallo, Ousmane; Donnadieu, Bruno; Roblou, Emmanuel","Ligand Substitution Processes on Carbonylmetal Derivatives. 3.1Reaction of Hydridopentacarbonylchromates with Phosphines","Organometallics","2002","21","16","3388","","10.1021/om020130b","","","0.71073","MoKα","","0.1118","0.0733","","","0.1216","0.1376","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076864","21.091","0.005","23.371","0.006","8.772","0.003","90","","90","","90","","4324","2","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-PhCr(CO)3","","- C21 H24 B4 Cr Fe O3 -","- C21 H24 B4 Cr Fe O3 -","- C168 H192 B32 Cr8 Fe8 O24 -","8","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71069","MoKα","","0.0324","0.046","","","0.065","0.0727","","","","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076879","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C33 H60 Li N4 O Si2 Ta -","- C264 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Schmidt, Joseph A. R.; Arnold, John","Reactions of a Triazacyclononane-Supported Tantalum−Lithium Bridging Alkylidene with Organic Substrates","Organometallics","2002","21","16","3426","","10.1021/om020175c","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","0.0283","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076886","15.7617","0.0018","15.8066","0.0018","17.8368","0.0019","90","","90","","90","","4443.8","0.9","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H44 Cr -","- C20 H44 Cr -","- C160 H352 Cr8 -","8","1","","Schulzke, Carola; Enright, Dave; Sugiyama, Hiroyasu; LeBlanc, Guy; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence K.; Wilson, David R.; Duchateau, Rob","The Unusual Stability of Homoleptic Di- and Tetravalent Chromium Alkyls","Organometallics","2002","21","18","3810","","10.1021/om020237z","","","0.71073","MoKα","","0.1461","0.0873","","","0.2965","0.3154","","","","","","1.085","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00",""
"4076912","7.0727","0.0003","13.0378","0.0006","29.0898","0.0014","90","","90","","90","","2682.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cr N O3 S2 -","- C11 H11 Cr N O3 S2 -","- C88 H88 Cr8 N8 O24 S16 -","8","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.057","0.042","","","0.0889","0.094","","","","","","0.98","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076922","12.7127","0.0004","16.0862","0.0005","18.3629","0.0006","90","","90","","90","","3755.2","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cr N2 O3 -","- C18 H26 Cr N2 O3 -","- C144 H208 Cr8 N16 O24 -","8","1","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.0855","0.0537","","","0.1182","0.1312","","","","","","0.964","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076936","14.646","0.004","12.629","0.007","32.278","0.009","90","","90","","90","","5970","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 4a","","","- C68 H64 Fe2 O8 Os2 -","- C68 H64 Fe2 O8 Os2 -","- C272 H256 Fe8 O32 Os8 -","4","0.5","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.05","0.0308","","","0.0685","0.0756","","","","","","1.013","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076982","17.8561","0.0009","16.5768","0.0008","18.0698","0.0009","90","0.001","90","0.001","90","0.001","5348.6","0.5","137.2","","137.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H44 I N3 Si Yb -","- C23 H44 I N3 Si Yb -","- C184 H352 I8 N24 Si8 Yb8 -","8","1","","Giesbrecht, Garth R.; Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Arnold, John","Divalent Lanthanide Metal Complexes of a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand: X-ray Crystal Structures of [C5Me4SiMe2(iPr2-tacn)]LnI (Ln = Sm, Yb; tacn = 1,4-Diisopropyl-1,4,7-triazacyclononane)","Organometallics","2002","21","18","3841","","10.1021/om020372b","","","0.7107","MoKα","","0.0644","0.021","","0.0308","0.021","0.021","","","","","","0.64","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077027","16.4801","0.0002","16.5822","0.0002","19.6949","0.0003","90","","90","","90","","5382.15","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H42 F3 O4 P2 Rh S -","- C20 H42 F3 O4 P2 Rh S -","- C160 H336 F24 O32 P16 Rh8 S8 -","8","1","","Bleeke, John R.; Donnay, Edward; Rath, Nigam P.","Oxapentadienyl−Rhodium−Phosphine Chemistry1","Organometallics","2002","21","20","4099","","10.1021/om020429u","","","0.71073","MoKα","","0.0644","0.0328","","","0.0679","0.0886","","","","","","1.096","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00",""
"4077028","16.2681","0.0001","13.8952","0.0001","24.5341","0.0002","90","","90","","90","","5545.9","0.07","193","","193","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C29 H40 Al Si Y -","- C29 H40 Al Si Y -","- C232 H320 Al8 Si8 Y8 -","8","1","","Klimpel, Michael G.; Eppinger, Jörg; Sirsch, Peter; Scherer, Wolfgang; Anwander, Reiner","The Lanthanide Ziegler−Natta Model: Aluminum-Mediated Chain Transfer","Organometallics","2002","21","20","4021","","10.1021/om020440u","","","0.71073","MoKa","","0.0633","0.0339","","","0.0799","0.0851","","","","","","0.86","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077030","15.674","0.004","16.711","0.004","17.955","0.004","90","","90","","90","","4703","2","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[RuTp(m-apic)Cl]2.2(O(C2H5)2) = (5b.2(O(C2H5)2)","","","- C38 H56 B2 Cl2 N16 O2 Ru2 -","- C38 H56 B2 Cl2 N16 O2 Ru2 -","- C152 H224 B8 Cl8 N64 O8 Ru8 -","4","0.5","","Rüba, Eva; Hummel, Alexandra; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Ruthenium Trispyrazolylborate Complexes. 18.1Aminocarbene Ruthenium Complexes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2002","21","23","4955","","10.1021/om020441m","","","0.71073","MoKα","","0.0701","0.0372","","","0.0846","0.1041","","","","","","1.093","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077072","6.984","0.001","22.873","0.001","23.788","0.001","90","","90","","90","","3800","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Fe N2 O3 -","- C21 H16 Fe N2 O3 -","- C168 H128 Fe8 N16 O24 -","8","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.1318","0.0411","","","0.0966","0.169","","","","","","0.944","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077173","14.112","0.007","14.793","0.009","15.233","0.01","90","","90","","90","","3180","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Fe N3 O4 Si -","- C10 H19 Fe N3 O4 Si -","- C80 H152 Fe8 N24 O32 Si8 -","8","1","","Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker","New Mono- and Polynuclear Iron Silylene and Stannylene Complexes","Organometallics","2001","20","4","627","","10.1021/om000515z","","","0.71073","MoKα","","0.0464","0.0322","","","0.0737","0.0836","","","","","","1.065","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077189","13.5997","0.0005","13.2814","0.0005","15.1233","0.0006","90","","90","","90","","2731.62","0.18","93","2","93","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","η^6^-Hexamethylbenzenechromium(0)tricarbonyl","","- C15 H18 Cr O3 -","- C15 H18 Cr O3 -","- C120 H144 Cr8 O24 -","8","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0322","0.0254","","0.0874","0.0722","","","","1.011","1.028","1.028","","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077227","9.8686","0.0015","18.51","0.003","27.427","0.004","90","","90","","90","","5010","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H33 N2 Ti -","- C31 H33 N2 Ti -","- C248 H264 N16 Ti8 -","8","1","","Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.","Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents","Organometallics","2001","20","12","2492","","10.1021/om000799n","","","0.71073","MoKα","","0.2104","0.0772","","","0.1721","0.2241","","","","","","0.837","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077246","15.5166","0.0015","17.1999","0.0016","18.1167","0.0017","90","","90","","90","","4835.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 P2 S2 -","- C20 H30 N4 P2 S2 -","- C160 H240 N32 P16 S16 -","8","1","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.0727","0.0444","","","0.1046","0.1213","","","","","","1.028","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077287","14.814","0.0018","20.55","0.002","21.62","0.003","90","","90","","90","","6581.7","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H34 I N3 O2 Pd -","- C35 H34 I N3 O2 Pd -","- C280 H272 I8 N24 O16 Pd8 -","8","1","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0863","0.039","","","0.0601","0.0683","","","","","","0.794","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00",""
"4077361","17.055","0.003","16.304","0.003","17.645","0.004","90","","90","","90","","4906.5","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(eta5:eta1-1-(1-cyclohexyl-2-diphenylphosphinoethyl)indenyl)(carbonyl)rhodium","","- C30 H30 O P Rh -","- C30 H30 O P Rh -","- C240 H240 O8 P8 Rh8 -","8","1","","Brookings, Daniel C.; Harrison, Stephen A.; Whitby, Richard J.; Crombie, Barry; Jones, Ray V. H.","Induction of Planar Chirality in Formation of (η5:η1-1-(1-Cyclohexyl-2-(diphenylphosphino)ethyl)indenyl)carbonylrhodium and (η5:η1-1-(2-Phenyl-2- (diphenylphosphino)ethyl)indenyl)carbonylrhodium","Organometallics","2001","20","22","4574","","10.1021/om010367s","","","0.71073","MoKα","","0.0972","0.0432","","","0.0764","0.0896","","","","","","0.945","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077362","10.356","0.0006","12.1443","0.0008","22.0752","0.0015","90","","90","","90","","2776.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Al4 D10 N6 -","- C20 H46 Al4 N6 -","- C80 H184 Al16 N24 -","4","0.5","","Chang, Jr-Chiuan; Hung, Chen-Hsiung; Huang, Jui-Hsien","An Unusual Hydride-Bridged Aluminum Complex with a Square-Planar Tetraaluminum Core Stabilized by 2,5-Bis((Dimethylamino)methyl)pyrrole Ligands","Organometallics","2001","20","22","4445","","10.1021/om010368k","","","0.71073","MoKα","","0.1119","0.0307","","","0.0459","0.0539","","","","","","0.639","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077432","13.037","0.003","15.717","0.003","25.071","0.005","90","","90","","90","","5137.1","1.8","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Zr -","- C34 H40 Zr -","- C272 H320 Zr8 -","8","1","","Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe","Synthesis and Structural Investigation of Stable Zirconacyclopentanes Which Bear Additional Functional Groups","Organometallics","2001","20","25","5472","","10.1021/om010680u","","","0.71073","MoKα","","0.0881","0.0601","","0.1497","0.1387","","","","0.923","1.123","1.123","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077441","16.88","0.002","16.1793","0.0013","29.049","0.005","90","","90","","90","","7933.5","1.8","171","2","171","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 F40 P4 Pt2 -","- C22 H12 F40 P4 Pt2 -","- C176 H96 F320 P32 Pt16 -","8","1","","White, Shannon; Kalberer, Eric W.; Bennett, Byron L.; Roddick, Dean M.","Synthesis, Structure, and Characterization of a Bridging Ethylidene (Perfluoroalkyl)phosphine Platinum Complex","Organometallics","2001","20","26","5731","","10.1021/om0107237","","","0.71073","MoKα","","0.1412","0.0767","","0.1582","0.1374","","","","1.038","1.21","1.21","","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077442","18.8904","0.0017","18.4966","0.0017","23.594","0.002","90","","90","","90","","8243.9","1.3","158","2","158","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C45 H68 Sm2 -","- C45 H68 Sm2 -","- C360 H544 Sm16 -","8","1","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0866","0.0467","","","0.1019","0.1189","","","","","","1.025","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077444","23.3208","0.0007","19.8008","0.0006","42.9886","0.0013","90","","90","","90","","19850.9","1","163","2","163","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C56.5 H76 Sm2 -","- C56.5 H76 Sm2 -","- C904 H1216 Sm32 -","16","2","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0649","0.0384","","","0.0755","0.0883","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077446","15.5363","0.001","16.0828","0.001","19.6394","0.001","90","","90","","90","","4907.2","0.5","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H10 B F15 Nb -","- C28 H10 B F15 Nb -","- C224 H80 B8 F120 Nb8 -","8","1","","Liu, Shengming; Liu, Fu-Chen; Renkes, Gordon; Shore, Sheldon G.","Formation of Triniobocene Cationic and Neutral Mononiobocene Species as a Function of Solvent in the Reaction of Cp2Nb{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14) with B(C6F5)3","Organometallics","2001","20","26","5717","","10.1021/om0107744","","","0.71073","MoKα","","0.0379","0.0271","","","0.0641","0.0683","","","","","","1.032","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077449","15.8974","0.0007","17.3476","0.0008","20.6778","0.0009","90","","90","","90","","5702.6","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(dtbpm)RhCl(2,2'-biphenylene)","","","- C29 H46 Cl P2 Rh -","- C29 H46 Cl P2 Rh -","- C232 H368 Cl8 P16 Rh8 -","8","1","","Iverson, Carl N.; Jones, William D.","Rhodium-Catalyzed Activation and Functionalization of the C−C Bond of Biphenylene","Organometallics","2001","20","26","5745","","10.1021/om0107946","","","0.71073","MoKα","","0.0397","0.0324","","","0.0908","0.0997","","","","","","0.617","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077467","15.1493","0.0011","19.5483","0.0016","24.609","0.002","90","","90","","90","","7287.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B9 O P Ru -","- C33 H46 B9 O P Ru -","- C264 H368 B72 O8 P8 Ru8 -","8","1","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.1636","0.0651","","","0.0951","0.13","","","","","","1.022","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077486","14.79","0.009","9.315","0.007","22.093","0.015","90","","90","","90","","3044","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CuBr(coct)2]","bromo-bis(cyclooctyne)copper","","- C16 H24 Br Cu -","- C16 H24 Br Cu -","- C128 H192 Br8 Cu8 -","8","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","1.54178","CuKα","","0.0971","0.0483","","","0.1201","0.1416","","","","","","0.998","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077487","15.109","0.0001","9.3298","0.0001","22.6794","0.0002","90","","90","","90","","3196.98","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CuI(coct)2]","bis(cyclooctyne)iodo-copper","","- C16 H24 Cu I -","- C16 H24 Cu I -","- C128 H192 Cu8 I8 -","8","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0406","0.031","","","0.069","0.0723","","","","","","0.975","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077506","17.88","0.005","11.301","0.005","16.378","0.005","90","0.005","90","0.005","90","0.005","3309","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cl N3 O Pd -","- C16 H18 Cl N3 O Pd -","- C128 H144 Cl8 N24 O8 Pd8 -","8","1","","Aresta, Michele; Giannoccaro, Potenzo; Tommasi, Immacolata; Dibenedetto, Angela; Manotti Lanfredi, Anna Maria; Ugozzoli, Franco","Synthesis and Solid State and Solution Characterization of Mono- and Di-(η1-C) Carbamoyl−Palladium Complexes. New Efficient Palladium-Catalyzed Routes to Carbamoyl Chlorides: Key Intermediates to Isocyanates, Carbamic Esters, and Ureas","Organometallics","2000","19","19","3879","","10.1021/om000198w","","","0.71069","MoKα","","0.0809","0.0437","","0.1248","0.1139","","","","0.896","1.061","1.061","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077522","14.566","0.001","14.717","0.001","16.7","0.001","90","","90","","90","","3579.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F6 Mo O4 -","- C15 H15 F6 Mo O4 -","- C120 H120 F48 Mo8 O32 -","8","1","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0652","0.0416","","0.1296","0.1132","","","","1.033","1.054","1.054","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077537","9.0587","0.0002","9.0587","0.0002","50.2953","0.0008","90","0.001","90","0.001","90","0.001","4127.23","0.14","161.2","","161.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Fe N6 -","- C10 H8 Fe N6 -","- C160 H128 Fe16 N96 -","16","2","","Shafir, Alexandr; Power, Maurice P.; Whitener, Glenn D.; Arnold, John","Synthesis, Structure, and Properties of 1,1‘-Diamino- and 1,1‘-Diazidoferrocene","Organometallics","2000","19","19","3978","","10.1021/om0004085","","","0.7107","MoKalpha","","","0.0354","","","0.045","","","","","1.022","1.022","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077544","16.106","0.001","14.22","0.001","37.378","0.004","90","","90","","90","","8560.6","1.2","295","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl P2 Ru -","- C21 H27 Cl P2 Ru -","- C336 H432 Cl16 P32 Ru16 -","16","2","","Freeman, Samuel T. N.; Lemke, Frederick R.; Haar, Christopher M.; Nolan, Steven P.; Petersen, Jeffrey L.","Effect of Ancillary Ligation on the Relative Bond Disruption Enthalpies of Ru−H and Ru−Cl Bonds in Cp(PR3)2RuX (PR3= PMe3, PMe2Ph, PMePh2, PPh3; X = H, Cl)","Organometallics","2000","19","23","4828","","10.1021/om000420x","","","0.71073","MoKα","","0.1011","0.0456","","0.0927","0.0746","","","","1.001","1.077","1.077","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077563","12.0712","0.0001","17.2622","0.0001","34.6301","0.0001","90","","90","","90","","7216.06","0.08","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H30 Cl4 O2 Os P2 -","- C40 H30 Cl4 O2 Os P2 -","- C320 H240 Cl32 O16 Os8 P16 -","8","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0468","0.0434","","","0.0902","0.0914","","","","","","1.393","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077581","20.8592","0.0012","10.3433","0.0006","28.1509","0.0015","90","","90","","90","","6073.6","0.6","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H23 Fe2 O6 P -","- C35 H23 Fe2 O6 P -","- C280 H184 Fe16 O48 P8 -","8","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Clegg, William; Elsegood, Mark R. J.","Reactions of Alkynes with [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of Diphenylvinylphosphine-Functionalized Vinyl Carbenes via Carbon−Carbon and Carbon−Phosphorus Bond Formation and Hydrogen Migration⊥","Organometallics","2000","19","22","4557","","10.1021/om0005147","","","0.71073","MoKα","","0.0693","0.0415","","","0.074","0.0833","","","","","","1.046","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077629","17.0349","0.0015","15.777","0.0013","22.1476","0.0016","90","","90","","90","","5952.4","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{Cp*Ru(CO)}{Cp*Ru}{Co(CO)2(mu-CO)(NC4H4C)(BH)2","","- C29 H36 B2 Co N O4 Ru2 -","- C29 H36 B2 Co N O4 Ru2 -","- C232 H288 B16 Co8 N8 O32 Ru16 -","8","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reaction of Phosphines and Pyridine with a Heterometal Metallaborane. Ligand Substitution on Boron vs Metal Sites, Borane Displacement, and Orthometalation of a Boron-Coordinated Pyridine","Organometallics","2000","19","25","5266","","10.1021/om000667u","","","0.71073","MoKα","","0.0563","0.0368","","","0.0847","0.0936","","","","","","1.047","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077698","17.7686","0.0003","7.8881","0.0003","30.6968","0.001","90","","90","","90","","4302.5","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F3 Si -","- C24 H25 F3 Si -","- C192 H200 F24 Si8 -","8","1","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.0765","0.051","","","0.1073","0.1147","","","","","","1.08","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077733","14.4022","0.0009","14.6208","0.0009","14.8973","0.0009","90","","90","","90","","3136.9","0.3","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Cl2 N O3 Ti -","- C12 H21 Cl2 N O3 Ti -","- C96 H168 Cl16 N8 O24 Ti8 -","8","1","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","0.71073","MoKα","","0.0641","0.0457","","","0.0949","0.1037","","","","","","1.07","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077756","9.623","0.001","18.272","0.001","30.565","0.008","90","","90","","90","","5374.3","1.5","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H45 O3 P W -","- C22 H45 O3 P W -","- C176 H360 O24 P8 W8 -","8","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71069","MoKα","","0.0561","0.0301","","0.0798","0.07","","","","1.02","1.066","1.066","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077770","17.7921","0.0013","18.3983","0.0015","25.016","0.002","90","","90","","90","","8188.8","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Cl11 D3 O2 P Pt -","- C32 H34 Cl11 O2 P Pt -","- C256 H272 Cl88 O16 P8 Pt8 -","8","1","","Vicente, José; Chicote, María-Teresa; MacBeath, Calum; Fernández-Baeza, Juan; Bautista, Delia","Nucleophilic Attack of Carbonyl-Stabilized Phosphorus Ylides on 1,5-Cyclooctadiene Complexes of Palladium and Platinum","Organometallics","1999","18","14","2677","","10.1021/om9901022","","","0.71073","MoKα","","0.0998","0.0613","","0.1509","0.1321","","","","1.036","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077806","18.239","0.006","15.971","0.005","23.062","0.007","90","","90","","90","","6718","4","294","2","294","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","1,1,1-tricarbonyl-1-[2,6-(dimethylphenyl)isocyanide]-2-[2,6-(dimethylphenyl) imino]-3-(p-chlorobenzyl)-4-[2,6-(dimethylphenyl)]-4-azamangancylobut-3-ene","","- C37 H33 Cl Mn N3 O3 -","- C37 H33 Cl Mn N3 O3 -","- C296 H264 Cl8 Mn8 N24 O24 -","8","1","","Becker, Thomas M.; Alexander, John J.; Krause Bauer, Jeanette A.; Nauss, Jeffrey L.; Wireko, Fred C.","CNR and CO Insertion Reactions of 2,6-Xylyl Isocyanide withp-Chlorobenzylpentacarbonylmanganese","Organometallics","1999","18","26","5594","","10.1021/om9903644","","","1.54178","CuKα","","0.2871","0.0882","","","0.1925","0.2975","","","","","","1.198","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077844","12.8521","0.0005","16.2817","0.0006","33.9667","0.0012","90","","90","","90","","7107.7","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2010src0133","","","- C32 H46 B9 Co2 F7 O -","- C32 H46 B9 Co2 F7 O -","- C256 H368 B72 Co16 F56 O8 -","8","1","","Ward, Jas S.; Tricas, Hugo; Scott, Greig; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Facile Isomerization and Unprecedented Decarbonation of Metallacarboranes with Fluorinated Aryl Substituents","Organometallics","2012","31","7","2523","","10.1021/om200691z","","","0.71073","MoKα","","0.1341","0.0899","","","0.1459","0.1601","","","","","","1.422","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077851","11.8861","0.0005","15.2456","0.0006","21.607","0.0008","90","","90","","90","","3915.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 O4 Ru Si2 -","- C15 H24 O4 Ru Si2 -","- C120 H192 O32 Ru8 Si16 -","8","1","","Casey, Charles P.; Guan, Hairong","Trimethylsilyl-Substituted Hydroxycyclopentadienyl Ruthenium Hydrides as Benchmarks to Probe Ligand and Metal Effects on the Reactivity of Shvo Type Complexes.","Organometallics","2012","31","7","2631","2638","10.1021/om2007453","","","0.71073","Mo-Kα","","0.0181","0.0167","","","0.045","0.0461","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077915","19.3158","0.0004","8.817","0.0002","25.1475","0.0005","90","","90","","90","","4282.81","0.16","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 B7 Fe Si -","- C19 H27 B7 Fe Si -","- C152 H216 B56 Fe8 Si8 -","8","1","","Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes","Organometallics","2012","31","7","2741","","10.1021/om201044r","","","0.71073","MoKα","","0.039","0.0286","","","0.0663","0.0714","","","","","","0.993","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077996","16.7705","0.0012","17.5056","0.0015","16.2008","0.0012","90","","90","","90","","4756.2","0.6","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Br Sn -","- C30 H23 Br Sn -","- C240 H184 Br8 Sn8 -","8","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0359","","","","0.0783","","","","","","1.125","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078065","10.4679","0.0003","21.7161","0.0011","26.6018","0.001","90","","90","","90","","6047.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H41 Ir N4 O2 -","- C31 H41 Ir N4 O2 -","- C248 H328 Ir8 N32 O16 -","8","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0471","0.0339","","","0.0805","0.0857","","","","","","1.015","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078083","18.436","0.013","9.448","0.007","21.777","0.015","90","","90","","90","","3793","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","","Hu, Ping; Qiao, Ya-Lin; Wang, Jian-Qiang; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Titanium Complexes with Double-Duty Tridentate [ONN] Ligands","Organometallics","2012","31","8","3241","","10.1021/om300091e","","","0.71073","MoKα","","0.1255","0.0592","","","0.1448","0.1899","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078118","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078120","13.8031","0.0007","14.163","0.0008","18.1401","0.0009","90","","90","","90","","3546.3","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C88 H192 B80 Si8 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0543","0.0417","","","0.1168","0.1341","","","","","","1.056","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078124","12.8235","0.0004","19.04","0.0006","20.2987","0.0006","90","","90","","90","","4956.1","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H34 B20 -","- C14 H34 B20 -","- C112 H272 B160 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0699","0.0517","","","0.1408","0.1609","","","","","","1.022","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078161","13.709","0.002","14.199","0.002","31.494","0.005","90","","90","","90","","6130.4","1.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H29 F12 N2 P2 Rh Se -","- C24 H29 F12 N2 P2 Rh Se -","- C192 H232 F96 N16 P16 Rh8 Se8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0982","0.083","","","0.1992","0.208","","","","","","1.172","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078194","15.9761","0.0019","13.5978","0.0016","18.897","0.002","90","","90","","90","","4105.2","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 Cu Hg N2 O2 -","- C19 H20 Cl2 Cu Hg N2 O2 -","- C152 H160 Cl16 Cu8 Hg8 N16 O16 -","8","1","","Biswas, Saptarshi; Saha, Rajat; Ghosh, Ashutosh","Copper(II)‒Mercury(II) Heterometallic Complexes Derived from a Salen-Type Ligand: A New Coordination Mode of the Old Schiff Base Ligand","Organometallics","2012","31","10","3844","","10.1021/om201033q","","","0.71073","MoKα","","0.0577","0.0338","","","0.0826","0.0942","","","","","","1.025","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078220","13.855","0.003","14.006","0.003","15.074","0.003","90","","90","","90","","2925.2","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl2 N2 Pt Si -","- C12 H14 Cl2 N2 Pt Si -","- C96 H112 Cl16 N16 Pt8 Si8 -","8","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0994","0.0631","","","0.1583","0.1823","","","","","","1.079","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078263","14.824","0.009","12.977","0.008","27.363","0.016","90","","90","","90","","5264","5","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H6 Au Cl10 F6 N2 P -","- C16 H6 Au Cl10 F6 N2 P -","- C128 H48 Au8 Cl80 F48 N16 P8 -","8","1","","Overton, Atiya T.; López-de-Luzuriaga, José M.; Olmos, M. Elena; Mohamed, Ahmed A.","Oxidative Rearrangement in Gold Organometallics","Organometallics","2012","31","9","3460","","10.1021/om3001422","","","0.71073","MoKα","","0.1509","0.0853","","","0.1516","0.1749","","","","","","1.046","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078351","13.982","0.004","16.842","0.009","26.031","0.007","90","","90","","90","","6130","4","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H52 Si -","- C34 H52 Si -","- C272 H416 Si8 -","8","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","1.54178","CuKα","","0.1603","0.1076","","0.3715","0.2998","","","","1.294","1.337","1.337","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078368","12.067","0.002","12.359","0.002","16.76","0.002","90","","90","","90","","2499.5","0.7","298.2","","298.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ru -","- C16 H16 Ru -","- C128 H128 Ru8 -","8","1","","Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E.","Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives","Organometallics","1997","16","13","2868","","10.1021/om970065j","","","0.7107","MoKα","","0.1408","0.0506","","0.0724","0.0641","","","","1.928","2.481","2.481","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078463","11.9389","0.0005","22.1383","0.0009","40.6437","0.0019","90","","90","","90","","10742.4","0.8","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H62 B Ir O4 P4 -","- C61 H62 B Ir O4 P4 -","- C488 H496 B8 Ir8 O32 P32 -","8","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.107","0.0865","","","0.1305","0.1368","","","","","","1.286","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078524","11.6939","0.0005","20.5307","0.0009","26.4471","0.0011","90","","90","","90","","6349.5","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 Fe4 N2 -","- C40 H40 Fe4 N2 -","- C320 H320 Fe32 N16 -","8","1","","Okazaki, Masaaki; Suto, Kosei; Kudo, Naotsugu; Takano, Masato; Ozawa, Fumiyuki","Synthesis and Structure of Cubane-Type Tetrairon Clusters Possessing μ3-Isonitrile Ligands. Reductive Coupling of Two Isonitriles on Redox-Responsive Tetrairon Reaction Sites","Organometallics","2012","31","11","4110","","10.1021/om3002944","","x-ray","0.71075","MoKα","","0.0313","0.025","","","0.0601","0.0629","","","","","","1.044","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078557","17.8374","0.0015","20.5763","0.0017","25.961","0.002","90","","90","","90","","9528.4","1.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 F2 Fe2 N6 -","- C46 H74 F2 Fe2 N6 -","- C368 H592 F16 Fe16 N48 -","8","1","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.0426","0.0333","","","0.0866","0.0944","","","","","","1.047","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078564","13.809","0.0008","13.5992","0.0008","19.0054","0.001","90","","90","","90","","3569","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H19 B10 Br Fe -","- C12 H19 B10 Br Fe -","- C96 H152 B80 Br8 Fe8 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0685","0.0446","","","0.1051","0.1189","","","","","","1.012","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078584","16.9882","0.0009","9.9514","0.0005","18.5623","0.001","90","","90","","90","","3138.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H42 N4 O4 Pd -","- C30 H42 N4 O4 Pd -","- C120 H168 N16 O16 Pd4 -","4","0.5","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.0784","0.0465","","","0.0949","0.1062","","","","","","1.047","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078603","18.233","0.002","21.495","0.003","24.119","0.003","90","","90","","90","","9453","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H80 Co6 N4 Ni22 O36 -","- C74 H80 Co6 N4 Ni22 O36 -","- C296 H320 Co24 N16 Ni88 O144 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.068","0.042","","","0.0991","0.1171","","","","","","1.075","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078611","9.1187","0.0007","20.3918","0.0015","23.2891","0.0018","90","","90","","90","","4330.5","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C176 H232 N8 O24 S8 -","8","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0829","0.0567","","","0.129","0.1404","","","","","","1.074","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078613","14.689","0.003","9.005","0.002","32.942","0.008","90","","90","","90","","4357.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 N O3 S -","- C23 H31 N O3 S -","- C184 H248 N8 O24 S8 -","8","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0782","0.0493","","","0.118","0.1339","","","","","","1.047","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078616","21.472","0.01","7.707","0.003","30.064","0.014","90","","90","","90","","4975","4","203","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Mn N O11 -","- C24 H24 Mn N O11 -","- C192 H192 Mn8 N8 O88 -","8","1","","Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils","Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation","Organometallics","2012","31","16","5760","","10.1021/om201146c","","","0.71073","MoKα","","0.0766","0.0616","","","0.1584","0.1758","","","","","","1.055","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078623","10.3898","0.0011","16.0613","0.0019","34.037","0.004","90","","90","","90","","5679.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 O P2 S -","- C36 H28 O P2 S -","- C288 H224 O8 P16 S8 -","8","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.054","0.0421","","","0.105","0.1137","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078653","13.2693","0.0003","18.6775","0.0004","20.5498","0.0004","90","","90","","90","","5093.01","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H30 Cl2 Si2 Ti -","- C26 H30 Cl2 Si2 Ti -","- C208 H240 Cl16 Si16 Ti8 -","8","1","","Deally, Anthony; Hackenberg, Frauke; Lally, Grainne; Müller-Bunz, Helge; Tacke, Matthias","Synthesis and Cytotoxicity Studies of Silyl-Substituted Titanocene Dichloride Derivatives","Organometallics","2012","31","16","5782","","10.1021/om300227h","","","0.71073","MoKα","","0.0415","0.0293","","","0.0637","0.0699","","","","","","1.035","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078655","19.4593","0.0003","18.6396","0.0002","25.1695","0.0004","90","","90","","90","","9129.3","0.2","200","","200","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","[Tp'(CO)~2~MoCBF~2~(OMe)]K.C~12~H~24~O~6~.C~6~H~6~","","- C37 H55 B2 F2 K Mo N6 O9 -","- C37 H55 B2 F2 K Mo N6 O9 -","- C296 H440 B16 F16 K8 Mo8 N48 O72 -","8","1","","Hill, Anthony F.; Shang, Rong","Boratocarbyne Complexes: Li[Mo{≡CB(OMe)3}(CO)2{HB(pzMe2)3}] and [K(18-crown-6)][Mo(≡CBF2OMe)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl)","Organometallics","2012","31","13","4635","","10.1021/om300238m","","","0.71073","MoKα","","0.0555","0.0261","","0.1065","0.0737","0.1065","","","","","","0.9828","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078680","9.342","0.003","22.935","0.008","30.025","0.01","90","","90","","90","","6433","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cl N2 Ni P -","- C37 H36 Cl N2 Ni P -","- C296 H288 Cl8 N16 Ni8 P8 -","8","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.0629","0.0388","","","0.0872","0.0957","","","","","","0.947","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078699","21.3507","0.0003","16.799","0.0004","24.2172","0.0004","90","","90","","90","","8686","0.3","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H44 Au F6 N12 P -","- C42 H44 Au F6 N12 P -","- C336 H352 Au8 F48 N96 P8 -","8","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0459","0.031","","","0.0462","0.0491","","","","","","1.094","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078710","15.9358","0.0008","15.9913","0.001","26.273","0.0018","90","","90","","90","","6695.3","0.7","153","","153","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H42 N5 Ni O8 Rh S3 -","- C27 H42 N5 Ni O8 Rh S3 -","- C216 H336 N40 Ni8 O64 Rh8 S24 -","8","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.064","","","","0.1807","","","","","","1.182","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078725","17.1047","0.0013","19.2401","0.0014","29.473","0.002","90","","90","","90","","9699.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H76 N3 O2 Si Y -","- C49 H76 N3 O2 Si Y -","- C392 H608 N24 O16 Si8 Y8 -","8","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.1653","0.0615","","","0.1048","0.125","","","","","","0.867","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078775","11.752","0.002","14.931","0.003","19.287","0.004","90","","90","","90","","3384.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tetracarbonyl-2,3-bis(ethoxymethylidenyl)-5-methyl-thiophene- chromium(0)","2,2,2,2-Tetracarbonyl-1,3-diethoxy-2- chroma(0)-5-methylcyclopentatrieno[b]thiophene","","- C15 H14 Cr O6 S -","- C15 H14 Cr O6 S -","- C120 H112 Cr8 O48 S8 -","8","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0473","0.0328","","","0.0776","0.084","","","","","","1.053","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078817","17.067","0.003","17.728","0.003","33.616","0.005","90","","90","","90","","10171","3","113.1","","113.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H59 N P4 W -","- C61 H59 N P4 W -","- C488 H472 N8 P32 W8 -","8","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Tungsten(II) Alkylimido Complexes from Insertion of Nitriles into Tungsten Hydride: Alkylideneamido Intermediate Stage and Nitrene Group Transfer to Isocyanide","Organometallics","2012","31","14","4933","","10.1021/om3004338","","","0.7107","MoKα","","","0.0402","","","","0.0929","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078853","16.426","0.004","9.501","0.003","32.743","0.009","90","","90","","90","","5110","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 Pd -","- C24 H30 Br2 N4 Pd -","- C192 H240 Br16 N32 Pd8 -","8","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0706","0.0489","","","0.1238","0.135","","","","","","1.04","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078925","13.2528","0.0017","12.3497","0.0014","31.634","0.004","90","","90","","90","","5177.5","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H39 Br O Si4 -","- C19 H39 Br O Si4 -","- C152 H312 Br8 O8 Si32 -","8","1","","Cho, Hyeon Mo; Bok, Kyongjin; Park, Seo Hyeon; Lim, Young Mook; Lee, Myong Euy; Choi, Moon-Gun; Lee, Kang Mun","A New Synthetic Route for Silacyclopropanes: Reactions of a Bromosilylenoid with Olefins","Organometallics","2012","31","15","5227","","10.1021/om3005349","","","0.71073","MoKα","","0.1038","0.049","","","0.1299","0.1863","","","","","","1.001","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078951","14.2599","0.0001","21.481","0.0002","31.5683","0.0003","90","","90","","90","","9669.9","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(pR*,S~S~*)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C26.45 H22.5 Cl2.1 O Rh S -","- C26.45 H22.5 Cl2.1 O Rh S -","- C423.2 H360 Cl33.6 O16 Rh16 S16 -","16","2","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0391","0.0328","","","0.095","0.1002","","","","","","1.485","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078957","18.4883","0.001","18.5351","0.0011","19.2487","0.0011","90","","90","","90","","6596.2","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 B F15 P -","- C33 H31 B F15 P -","- C264 H248 B8 F120 P8 -","8","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0766","0.0516","","","0.1332","0.1501","","","","","","1.039","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078982","10.383","0.004","15.316","0.005","25.274","0.01","90","","90","","90","","4019","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N5 O Ti -","- C16 H31 N5 O Ti -","- C128 H248 N40 O8 Ti8 -","8","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.1555","0.0548","","","0.0906","0.1182","","","","","","0.974","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078988","10.7012","0.0005","19.0875","0.0008","28.4803","0.0012","90","","90","","90","","5817.4","0.4","11","2","11","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H48 N3 O0 Sc Si2 -","- C24 H48 N3 Sc Si2 -","- C192 H384 N24 Sc8 Si16 -","8","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.059","0.0487","","","0.1345","0.1433","","","","","","1.037","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079004","17.7299","0.0008","26.2321","0.0011","30.9424","0.0014","90","","90","","90","","14391.1","1.1","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H101.1 B2 F8 N6 Ni O4 P4 -","- C68 H101.1 B2 F8 N6 Ni O4 P4 -","- C544 H808.8 B16 F64 N48 Ni8 O32 P32 -","8","1","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.1574","0.0579","","","0.0893","0.1149","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079029","15.8985","0.0006","16.4376","0.0007","27.0644","0.0011","90","","90","","90","","7072.8","0.5","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H60 Al2 Nd O4 P Si -","- C27 H60 Al2 Nd O4 P Si -","- C216 H480 Al16 Nd8 O32 P8 Si8 -","8","1","","Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner","Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15","Organometallics","2012","31","18","6526","","10.1021/om300168s","","","0.71073","MoKα","","0.0456","0.0327","","","0.0797","0.086","","","","","","1.075","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079039","11.2215","0.0002","16.6052","0.0004","23.0812","0.0005","90","","90","","90","","4300.84","0.16","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H32 Cl4 P4 S4 Sn2 -","- C40 H32 Cl4 P4 S4 Sn2 -","- C160 H128 Cl16 P16 S16 Sn8 -","4","0.5","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0293","0.0221","","","0.0478","0.052","","","","","","1.033","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079054","11.5075","0.0004","20.0888","0.0006","35.4127","0.0012","90","","90","","90","","8186.4","0.5","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H64 N2 O Si2 Th -","- C36 H64 N2 O Si2 Th -","- C288 H512 N16 O8 Si16 Th8 -","8","1","","Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes","Organometallics","2012","31","19","6732","","10.1021/om300410h","","","0.71073","MoKα","","0.0899","0.045","","0.05","0.0424","0.0441","","","","","","1.5847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079101","17.96778","0.00017","17.6095","0.00018","30.1255","0.0004","90","","90","","90","","9531.82","0.18","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H58 Cu4 Li2 O8 -","- C50 H58 Cu4 Li2 O8 -","- C400 H464 Cu32 Li16 O64 -","8","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","0.71073","MoKα","","0.1018","0.0563","","","0.1168","0.141","","","","","","1.131","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079120","14.1603","0.0005","10.7021","0.0003","34.5829","0.0013","90","","90","","90","","5240.9","0.3","115","","115","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H29 Fe3 N -","- C35 H29 Fe3 N -","- C280 H232 Fe24 N8 -","8","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Hahn, Torsten; Liebing, Simon; Kortus, Jens; Lang, Heinrich","Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations","Organometallics","2012","31","19","6761","","10.1021/om300511v","","","0.71073","MoKα","","0.082","0.0489","","","0.1174","0.1249","","","","","","0.949","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079136","12.09","0.0011","11.6199","0.0011","24.842","0.003","90","","90","","90","","3489.9","0.6","150","0.2","150","0.2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H42 F3 Fe N4 O3 S Si2 -","- C25 H42 F3 Fe N4 O3 S Si2 -","- C100 H168 F12 Fe4 N16 O12 S4 Si8 -","4","0.5","","Cao, Zhi; Forrest, William P.; Gao, Yang; Fanwick, Phillip E.; Ren, Tong","trans-[Fe(cyclam)(C2R)2]+: A New Family of Iron(III) Bis-Alkynyl Compounds","Organometallics","2012","31","17","6199","","10.1021/om300515r","","","1.54184","CU-Kα","","0.134","0.095","","","0.252","0.292","","","","","","1.039","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079190","11.3575","0.0016","18.976","0.002","35.022","0.003","90","","90","","90","","7547.9","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H32 F9 Ir N4 O3 S -","- C35 H32 F9 Ir N4 O3 S -","- C280 H256 F72 Ir8 N32 O24 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.0182","0.0159","","","0.0367","0.0381","","","","","","1.224","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079194","13.3214","0.0012","19.264","0.005","30.362","0.006","90","","90","","90","","7792","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H32 F9 Ir N4 O5 S -","- C35 H32 F9 Ir N4 O5 S -","- C280 H256 F72 Ir8 N32 O40 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.067","0.0443","","","0.088","0.0979","","","","","","1.336","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079195","13.8499","0.0004","13.3155","0.0003","27.0349","0.0008","90","","90","","90","","4985.7","0.2","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Fe N6 P2 Se2 -","- C20 H30 Fe N6 P2 Se2 -","- C160 H240 Fe8 N48 P16 Se16 -","8","1","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0291","0.0243","","","0.0524","0.0549","","","","","","1.069","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079217","13.737","0.002","16.871","0.003","28.096","0.005","90","","90","","90","","6511.4","1.9","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H47 Al N2 O2 S2 -","- C33 H47 Al N2 O2 S2 -","- C264 H376 Al8 N16 O16 S16 -","8","1","","Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong","Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol","Organometallics","2012","31","17","6500","","10.1021/om300577j","","","0.71073","MoKα","","0.07","0.064","","","0.1388","0.1422","","","","","","1.142","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079236","8.3839","0.0003","9.2671","0.0004","37.1174","0.0015","90","","90","","90","","2883.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C112 H176 Cl8 N8 O8 -","8","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0536","0.0461","","","0.1072","0.1117","","","","","","1.121","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079286","18.2275","0.0005","17.1965","0.0005","20.7428","0.0007","90","","90","","90","","6501.8","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N4 Sn2 -","- C32 H46 N4 Sn2 -","- C256 H368 N32 Sn16 -","8","1","","Chia, Siew-Peng; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Distannylene toward Potassium Graphite: Synthesis of a Stannylidenide Anion","Organometallics","2012","31","17","6415","","10.1021/om300646d","","","0.71073","MoKα","","0.071","0.0368","","","0.0949","0.1353","","","","","","1.057","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079337","15.21","0.0002","18.029","0.0003","23.847","0.0005","90","","90","","90","","6539.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 B I N9 Ru -","- C21 H33 B I N9 Ru -","- C168 H264 B8 I8 N72 Ru8 -","8","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0982","0.059","","","0.1543","0.1747","","","","","","1.04","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079410","10.0709","0.0007","15.5194","0.0011","22.5797","0.0016","90","","90","","90","","3529.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Cl N2 O4 Pd -","- C17 H19 Cl N2 O4 Pd -","- C136 H152 Cl8 N16 O32 Pd8 -","8","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0312","0.0295","","","0.0606","0.0614","","","","","","1.15","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079416","18.108","0.003","19.588","0.003","37.948","0.005","90","","90","","90","","13460","4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H61 Cl6 N3 Pd -","- C75 H61 Cl6 N3 Pd -","- C600 H488 Cl48 N24 Pd8 -","8","1","","Chartoire, Anthony; Frogneux, Xavier; Boreux, Arnaud; Slawin, Alexandra M. Z.; Nolan, Steven P.","[Pd(IPr*)(3-Cl-pyridinyl)Cl2]: A Novel and Efficient PEPPSI Precatalyst","Organometallics","2012","31","19","6947","","10.1021/om300725f","","","0.71073","MoKα","","0.1312","0.0951","","","0.2578","0.2944","","","","","","1.016","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079467","19.976","0.004","13.016","0.003","29.35","0.006","90","","90","","90","","7631","3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Al N2 O4 -","- C39 H63 Al N2 O4 -","- C312 H504 Al8 N16 O32 -","8","1","","Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.","Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations","Organometallics","2012","31","23","8145","","10.1021/om300757u","","","0.71075","MoKα","","0.2374","0.1224","","","0.2307","0.2881","","","","","","1.038","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079500","11.085","0.004","18.454","0.007","43.113","0.017","90","","90","","90","","8819","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H58 B N11 O P Y -","- C40 H58 B N11 O P Y -","- C320 H464 B8 N88 O8 P8 Y8 -","8","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.2106","0.1337","","","0.3208","0.3519","","","","","","0.995","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079528","16.5802","0.00004","18.09136","0.00004","19.48429","0.00004","90","","90","","90","","5844.48","0.02","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H54 N P3 Ru -","- C25 H54 N P3 Ru -","- C200 H432 N8 P24 Ru8 -","8","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0174","0.0172","","","0.0434","0.0436","","","","","","1.053","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079591","12.5208","0.0002","18.2828","0.0003","24.9107","0.0005","90","","90","","90","","5702.44","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H13.5 Cl4.5 N7 O3 Re -","- C24.5 H13.5 Cl4.5 N7 O3 Re -","- C196 H108 Cl36 N56 O24 Re8 -","8","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.0628","0.0437","","","0.0966","0.1026","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079596","15.9559","0.0006","11.4221","0.0004","21.7288","0.0008","90","","90","","90","","3960.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H30 N3 P -","- C19 H30 N3 P -","- C152 H240 N24 P8 -","8","1","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Zarudnitskii, Evgeniy V.; Hurieva, Anastasiya N.; Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Biffis, Andrea; Kostyuk, Aleksandr N.","Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes","Organometallics","2012","31","23","8257","","10.1021/om300872g","","","0.71073","MoKα","","0.1157","0.0632","","","0.1354","0.1579","","","","","","1.008","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079663","8.7539","0.0007","10.3947","0.0008","17.2466","0.0014","90","","90","","90","","1569.3","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","0.5","","Kozhukh, Julia; Fedoce Lopes, Juliana; Dos Santos, Hélio F.; Lippard, Stephen J.","Reactions of Organozinc Thiolates with Nitrosonium Ion:C-Nitroso Formation by Possible Transnitrosation","Organometallics","2012","31","23","8063","","10.1021/om300922m","","","0.71073","MoKα","","0.0435","0.0387","","","0.1089","0.1124","","","","","","1.052","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079697","11.551","0.007","24.178","0.016","28.816","0.018","90","","90","","90","","8048","9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C44 H58 Cl2 Zr -","- C44 H58 Cl2 Zr -","- C352 H464 Cl16 Zr8 -","8","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.1458","0.103","","","0.176","0.1937","","","","","","1.219","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079731","16.484","0.0017","18.1198","0.0018","19.0049","0.0019","90","","90","","90","","5676.5","1","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Mo N P2 -","- C27 H35 Cl3 Mo N P2 -","- C216 H280 Cl24 Mo8 N8 P16 -","8","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0301","","","","0.051","","","","","","1.038","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079732","16.1351","0.0004","18.2992","0.0004","20.8235","0.0005","90","","90","","90","","6148.3","0.3","183","","183","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H47 Cl3 Mo N P2 -","- C27 H47 Cl3 Mo N P2 -","- C216 H376 Cl24 Mo8 N8 P16 -","8","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0266","","","","0.0509","","","","","","1.007","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079758","18.223","0.0011","17.1315","0.0011","28.6054","0.0018","90","","90","","90","","8930.2","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H32 Ge2 O10 Os3 -","- C46 H32 Ge2 O10 Os3 -","- C368 H256 Ge16 O80 Os24 -","8","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0594","0.0373","","","0.0503","0.0557","","","","","","1.078","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079830","12.3956","0.0012","13.0995","0.0013","19.6103","0.0018","90","","90","","90","","3184.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Cl N2 Si -","- C15 H21 Cl N2 Si -","- C120 H168 Cl8 N16 Si8 -","8","1","","Li, Yiqun; de Kock, Carmen; Smith, Peter J.; Guzgay, Hajira; Hendricks, Denver T.; Naran, Krupa; Mizrahi, Valerie; Warner, Digby F.; Chibale, Kelly; Smith, Gregory S.","Synthesis, Characterization, and Pharmacological Evaluation of Silicon-Containing Aminoquinoline Organometallic Complexes As Antiplasmodial, Antitumor, and Antimycobacterial Agents","Organometallics","2013","32","1","141","","10.1021/om300945c","","","0.71073","MoKα","","0.0838","0.05","","","0.1103","0.1243","","","","","","1.028","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079836","13.909","0.012","14.831","0.012","21.003","0.018","90","","90","","90","","4333","6","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Co F3 O3 P3 S -","- C12 H33 Co F3 O3 P3 S -","- C96 H264 Co8 F24 O24 P24 S8 -","8","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","Intermolecular Methyl Group Exchange and Reversible P‒Me Bond Cleavage at Cobalt(III) Dimethyl Halide Species","Organometallics","2013","32","3","798","","10.1021/om3009537","","","0.71073","MoKα","","0.0686","0.0473","","","0.1182","0.1349","","","","","","1.017","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079854","12.5205","0.0002","20.7663","0.0003","22.532","0.0003","90","","90","","90","","5858.42","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H90 N6 O8 Ti2 -","- C58 H90 N6 O8 Ti2 -","- C232 H360 N24 O32 Ti8 -","4","0.5","","Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan","Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2013","32","1","172","","10.1021/om300962k","","","0.71073","MoKα","","0.0632","0.0468","","","0.1147","0.1249","","","","","","1.034","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079914","14.6798","0.0016","16.706","0.002","20.104","0.003","90","","90","","90","","4930.3","1.1","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H56 Au2 F6 N6 O6 P2 S2 -","- C38 H56 Au2 F6 N6 O6 P2 S2 -","- C152 H224 Au8 F24 N24 O24 P8 S8 -","4","0.5","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea","N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals","Organometallics","2013","32","2","718","","10.1021/om301051t","","","0.71073","MoKα","","0.1736","0.0445","","","0.0729","0.1308","","","","","","0.998","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079919","15.399","0.014","16.37","0.015","20.187","0.018","90","","90","","90","","5089","8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Al N3 O -","- C29 H36 Al N3 O -","- C232 H288 Al8 N24 O8 -","8","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.1935","0.0947","","","0.1935","0.2431","","","","","","0.951","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079938","16.81","0.003","16.578","0.003","22.578","0.005","90","","90","","90","","6292","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Mo N2 O3 P2 -","- C36 H30 Mo N2 O3 P2 -","- C288 H240 Mo8 N16 O24 P16 -","8","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0531","0.0312","","","0.0607","0.0653","","","","","","0.96","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079939","16.766","0.003","16.528","0.003","22.564","0.005","90","","90","","90","","6253","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 O3 P2 W -","- C36 H30 N2 O3 P2 W -","- C288 H240 N16 O24 P16 W8 -","8","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0493","0.0289","","","0.0603","0.0658","","","","","","0.944","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080041","17.116","0.0016","12.9707","0.0012","28.893","0.003","90","","90","","90","","6414.4","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H23 B F4 N4 O6 Ru2 -","- C34 H23 B F4 N4 O6 Ru2 -","- C272 H184 B8 F32 N32 O48 Ru16 -","8","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.0822","0.0485","","","0.1006","0.1199","","","","","","1.056","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080042","14.986","0.003","16.923","0.004","25.396","0.005","90","","90","","90","","6441","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H23 B F4 N4 O6 Ru2 -","- C34 H23 B F4 N4 O6 Ru2 -","- C272 H184 B8 F32 N32 O48 Ru16 -","8","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.1628","0.0658","","","0.144","0.1898","","","","","","1.01","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080046","11.1255","0.0007","22.7387","0.0016","28.4541","0.0019","90","","90","","90","","7198.3","0.8","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H41 Cl N2 O P2 Pt -","- C43 H41 Cl N2 O P2 Pt -","- C344 H328 Cl8 N16 O8 P16 Pt8 -","8","1","","Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.","Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism","Organometallics","2013","32","2","704","","10.1021/om301230f","","","0.71073","MoKα","","0.0503","0.0272","","0.0653","0.0557","0.0653","","","","","","0.9786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080069","16.5825","0.0006","19.588","0.0008","21.8479","0.0009","90","","90","","90","","7096.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 P2 Rh Si -","- C35 H61 P2 Rh Si -","- C280 H488 P16 Rh8 Si8 -","8","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71073","MoKα","","0.0454","0.0306","","","0.0694","0.078","","","","","","1.13","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080070","16.541","0.005","19.613","0.005","21.955","0.005","90","0","90","0","90","0","7123","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 Ge P2 Rh -","- C35 H61 Ge P2 Rh -","- C280 H488 Ge8 P16 Rh8 -","8","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71069","MoKα","","0.0309","0.0235","","","0.0571","0.061","","","","","","1.088","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080148","9.8877","0.0004","17.1927","0.0007","22.3641","0.001","90","","90","","90","","3801.8","0.3","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation","Organometallics","2013","32","6","1571","1574","10.1021/om301244m","","x-ray","0.71073","MoKα","","0.0141","0.0126","","","0.0329","0.034","","","","","","1.167","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080157","16.846","0.002","13.7766","0.0018","22.911","0.003","90","","90","","90","","5317.2","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 Br2 N2 -","- C32 H26 Br2 N2 -","- C256 H208 Br16 N16 -","8","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.1064","0.0455","","","0.1","0.1241","","","","","","1.002","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080158","17.7877","0.0011","16.6656","0.0011","18.986","0.0012","90","","90","","90","","5628.3","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Br2 N2 Ni -","- C32 H28 Br2 N2 Ni -","- C256 H224 Br16 N16 Ni8 -","8","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0589","0.0363","","","0.0843","0.0978","","","","","","1.018","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080231","15.3405","0.0007","14.8579","0.0007","17.7921","0.0008","90","","90","","90","","4055.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Al2 O4 -","- C48 H50 Al2 O4 -","- C192 H200 Al8 O16 -","4","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0708","0.0439","","","0.1056","0.1244","","","","","","1.01","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080248","21.7767","0.0019","14.309","0.0012","22.33","0.0019","90","","90","","90","","6958.1","1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H33 B F15 K N4 -","- C30 H33 B F15 K N4 -","- C240 H264 B8 F120 K8 N32 -","8","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0544","0.0332","","","0.0785","0.0932","","","","","","1.046","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080305","19.5632","0.0003","19.1357","0.0003","23.8446","0.0004","90","","90","","90","","8926.4","0.2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Sm(DippForm)Br2(THF)3]","","","- C44 H67 Br2 N2 O3 Sm -","- C44 H67 Br2 N2 O3 Sm -","- C352 H536 Br16 N16 O24 Sm8 -","8","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0724","0.0379","","","0.0822","0.0936","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080307","14.5587","0.0007","18.1919","0.0008","34.3519","0.0013","90","","90","","90","","9098.1","0.7","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Cd F4 O9 Zr2 -","- C33 H64 Cd F4 O9 Zr2 -","- C264 H512 Cd8 F32 O72 Zr16 -","8","1","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0975","0.0357","","","0.075","0.0865","","","","","","0.735","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080313","20.2917","0.0004","20.1932","0.0004","21.6979","0.0006","90","","90","","90","","8890.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H112 Cd2 F12 O24 Zr4 -","- C56 H112 Cd2 F12 O24 Zr4 -","- C224 H448 Cd8 F48 O96 Zr16 -","4","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.1154","0.0528","","","0.1369","0.1722","","","","","","0.971","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080384","9.1793","0.0006","18.3533","0.0012","31.392","0.002","90","","90","","90","","5288.6","0.6","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C33 H29 N O Si -","- C33 H29 N O Si -","- C264 H232 N8 O8 Si8 -","8","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0556","0.0406","","","0.0962","0.1041","","","","","","1.017","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080441","13.639","0.003","16.21","0.003","19.728","0.004","90","","90","","90","","4361.6","1.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Zr -","- C28 H28 Zr -","- C224 H224 Zr8 -","8","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.0535","0.0407","","","0.0724","0.0784","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080481","18.8812","0.0004","13.8509","0.0003","19.7703","0.0004","90","","90","","90","","5170.36","0.19","100","2","100.02","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 Si -","- C32 H24 N2 Si -","- C256 H192 N16 Si8 -","8","1","","Carroll, James B.; Braddock-Wilking, Janet","Synthesis of 2,5-Substituted Siloles and Optical Study of Interactions with Mercury(II), Copper(II), and Nickel(II) Cations","Organometallics","2013","32","6","1905","","10.1021/om400022f","","","0.71073","MoKα","","0.0548","0.0413","","","0.1081","0.121","","","","","","1.034","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080517","16.7271","0.0018","23.182","0.003","33.512","0.003","90","","90","","90","","12995","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Cl N4 O3 Ru -","- C31 H42 Cl N4 O3 Ru -","- C496 H672 Cl16 N64 O48 Ru16 -","16","2","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0604","0.0444","","","0.1089","0.1197","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080557","12.184","0.0008","14.951","0.0016","27.754","0.003","90","","90","","90","","5055.8","0.8","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl4 Ge2 N2 O -","- C20 H26 Cl4 Ge2 N2 O -","- C160 H208 Cl32 Ge16 N16 O8 -","8","1","","Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Stabilization of Three-Coordinated Germanium(II) and Tin(II) Cations by a Neutral Chelating Ligand","Organometallics","2013","32","6","1995","","10.1021/om400082t","","","0.71073","MoKα","","0.0938","0.0593","","","0.1056","0.1275","","","","","","1.121","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080580","10.51965","0.00015","19.8913","0.0004","47.7557","0.0007","90","","90","","90","","9992.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H64 N5 S Y -","- C56 H64 N5 S Y -","- C448 H512 N40 S8 Y8 -","8","1","","Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.","Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes","Organometallics","2013","32","8","2379","","10.1021/om400099z","","","0.71073","MoKα","","0.0904","0.0748","","","0.123","0.127","","","","","","1.249","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080669","18.4035","0.0008","19.7103","0.0009","29.7739","0.0014","90","","90","","90","","10800.1","0.8","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C117 H88 Cl2 F12 Ir2 N6 O2 P6 -","- C117 H88 Cl2 F12 Ir2 N6 O2 P6 -","- C468 H352 Cl8 F48 Ir8 N24 O8 P24 -","4","0.5","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.0676","0.044","","","0.1205","0.1486","","","","","","1.149","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080680","24.6781","0.0002","20.9612","0.0001","27.588","0.0003","90","","90","","90","","14270.8","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C35 H39 Au F6 N2 O -","- C35 H39 Au F6 N2 O -","- C560 H624 Au16 F96 N32 O16 -","16","2","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0929","0.0363","","","0.0562","0.0707","","","","","","1.035","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080712","8.3847","0.0004","22.048","0.001","29.1904","0.0013","90","","90","","90","","5396.3","0.4","83","2","83","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 La Si3 -","- C24 H39 La Si3 -","- C192 H312 La8 Si24 -","8","1","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0261","0.022","","","0.0543","0.0568","","","","","","1.104","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080715","8.1546","0.0004","22.3062","0.0011","28.6176","0.0014","90","","90","","90","","5205.5","0.4","83","2","83","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Lu Si3 -","- C24 H39 Lu Si3 -","- C192 H312 Lu8 Si24 -","8","1","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0218","0.0181","","","0.0397","0.0412","","","","","","1.108","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080729","16.9395","0.0011","13.5596","0.0009","28.602","0.002","90","","90","","90","","6569.7","0.8","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 O2 P3 Pd Ru -","- C27 H38 Cl F6 O2 P3 Pd Ru -","- C216 H304 Cl8 F48 O16 P24 Pd8 Ru8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1424","0.086","","","0.2031","0.2271","","","","","","1.153","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080731","17.0269","0.0014","13.2282","0.0011","28.684","0.002","90","","90","","90","","6460.6","0.9","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe Ni O2 P3 -","- C27 H38 Cl F6 Fe Ni O2 P3 -","- C216 H304 Cl8 F48 Fe8 Ni8 O16 P24 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1499","0.0801","","","0.1823","0.2134","","","","","","1.008","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080732","17.074","0.002","13.2009","0.0016","29.002","0.004","90","","90","","90","","6536.8","1.4","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe O2 P3 Pd -","- C27 H38 Cl F6 Fe O2 P3 Pd -","- C216 H304 Cl8 F48 Fe8 O16 P24 Pd8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1955","0.0718","","","0.1502","0.1899","","","","","","0.898","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080733","17.0443","0.0012","13.1286","0.0009","29.024","0.002","90","","90","","90","","6494.6","0.8","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe O2 P3 Pt -","- C27 H38 Cl F6 Fe O2 P3 Pt -","- C216 H304 Cl8 F48 Fe8 O16 P24 Pt8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1093","0.0588","","","0.1365","0.154","","","","","","0.943","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080764","20.1797","0.0011","17.4954","0.001","20.3989","0.0011","90","","90","","90","","7201.9","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Fe N2 O2 -","- C45 H42 Fe N2 O2 -","- C360 H336 Fe8 N16 O16 -","8","1","","Pranckevicius, Conor; Stephan, Douglas W.","Three-Coordinate, Cyclic Bent Allene Iron Complexes","Organometallics","2013","32","9","2693","","10.1021/om400166t","","","0.71073","MoKα","","0.0677","0.0384","","","0.0778","0.0881","","","","","","1.007","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080791","14.862","0.0004","16.5798","0.0005","21.861","0.0006","90","","90","","90","","5386.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Hf I3 N2 -","- C22 H33 Hf I3 N2 -","- C176 H264 Hf8 I24 N16 -","8","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0202","0.0163","","","0.0326","0.0336","","","","","","1.039","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080820","16.6098","0.0007","14.2088","0.0007","19.5728","0.001","90","","90","","90","","4619.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","difluorido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H38 F2 O8 Sn -","- C20 H38 F2 O8 Sn -","- C160 H304 F16 O64 Sn8 -","8","1","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0611","0.0292","","","0.0499","0.0521","","","","","","0.856","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080852","17.4696","0.0005","15.529","0.0004","23.394","0.0006","90","","90","","90","","6346.5","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","1664 [Mo(PNP-Ph)(CO)3H]BF4 (7a)","[Mo(PNP-Ph)(CO)3H]BF4 (7a)","","- C32 H26 B F4 Mo N3 O3 P2 -","- C32 H26 B F4 Mo N3 O3 P2 -","- C256 H208 B8 F32 Mo8 N24 O24 P16 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0302","0.0252","","","0.0595","0.0636","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080854","17.515","0.0004","15.5022","0.0003","23.3387","0.0005","90","","90","","90","","6336.9","0.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","1665 [W(PNP-Ph)(CO)3H]BF4 (8a)","[W(PNP-Ph)(CO)3H]BF4 (8a)","","- C32 H26 B F4 N3 O3 P2 W -","- C32 H26 B F4 N3 O3 P2 W -","- C256 H208 B8 F32 N24 O24 P16 W8 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.026","0.02","","","0.0385","0.0406","","","","","","1.123","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080867","13.312","0.0004","11.045","0.0006","38.614","0.0016","90","","90","","90","","5677.5","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl F4 N P2 Pd -","- C25 H36 Cl F4 N P2 Pd -","- C200 H288 Cl8 F32 N8 P16 Pd8 -","8","1","","Orbach, Meital; Zenkina, Olena V.; Diskin-Posner, Yael; Iron, Mark A.; van der Boom, Milko E.","A Phosphine-Accelerated ArF‒Chloride Bond Activation Process by Palladium","Organometallics","2013","32","10","3074","","10.1021/om400295p","","","0.71073","MoKα","","0.1084","0.0498","","","0.1093","0.1265","","","","","","0.989","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080885","19.8316","0.0002","22.3574","0.0002","47.3876","0.0007","90","","90","","90","","21010.9","0.4","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Ti (N2O)(NNPh2){N(NPh2)C(NAr)S}(py)","","- C52 H70 N6 O S Si2 Ti -","- C52 H70 N6 O S Si2 Ti -","- C832 H1120 N96 O16 S16 Si32 Ti16 -","16","2","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","1.54184","CuKα","","0.1049","0.0799","","0.0736","0.0666","0.0648","","","","","","0.9054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080917","11.36","0.004","19.563","0.007","22.094","0.008","90","","90","","90","","4910","3","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl F6 N3 P Ru S -","- C22 H21 Cl F6 N3 P Ru S -","- C176 H168 Cl8 F48 N24 P8 Ru8 S8 -","8","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0412","0.0342","","","0.0872","0.0907","","","","","","1.068","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080918","11.52","0.03","19.65","0.05","22.37","0.05","90","","90","","90","","5064","2","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl F6 N3 P Ru Se -","- C22 H21 Cl F6 N3 P Ru Se -","- C176 H168 Cl8 F48 N24 P8 Ru8 Se8 -","8","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0492","0.0341","","","0.081","0.0849","","","","","","0.979","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080944","16.9939","0.0003","19.829","0.0004","20.2081","0.0005","90","","90","","90","","6809.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H30 F8 Ni P2 -","- C40 H30 F8 Ni P2 -","- C320 H240 F64 Ni8 P16 -","8","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0569","0.0419","","","0.0955","0.1044","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080945","19.442","0.005","15.58","0.004","24.21","0.006","90","","90","","90","","7333","3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H66 F4 Ni P2 -","- C38 H66 F4 Ni P2 -","- C304 H528 F32 Ni8 P16 -","8","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.245","0.0923","","","0.1763","0.2468","","","","","","0.934","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080998","13.5702","0.0011","13.175","0.001","27.7649","0.0018","90","","90","","90","","4964","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H29 B Br Cl F4 Ir N2 -","- C21 H29 B Br Cl F4 Ir N2 -","- C168 H232 B8 Br8 Cl8 F32 Ir8 N16 -","8","1","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.0711","0.0404","","","0.1067","0.1362","","","","","","1.125","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4081060","13.8842","0.0006","15.7786","0.0007","26.5432","0.0011","90","","90","","90","","5814.9","0.4","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H33 Br N P Pt -","- C34 H33 Br N P Pt -","- C272 H264 Br8 N8 P8 Pt8 -","8","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0596","0.0292","","","0.0478","0.0556","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081078","10.9917","0.0012","17.0689","0.0018","25.153","0.003","90","","90","","90","","4719.1","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 P2 Pd2 -","- C20 H40 P2 Pd2 -","- C160 H320 P16 Pd16 -","8","1","","Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.","Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4223","","10.1021/om400415c","","","0.71075","MoKα","","0.0792","0.0528","","","0.0637","0.0683","","","","","","1.157","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081084","13.0039","0.0004","14.2484","0.0004","18.4949","0.0005","90","","90","","90","","3426.82","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N4 Na2 O8 Sn2 -","- C24 H58 N4 Na2 O8 Sn2 -","- C96 H232 N16 Na8 O32 Sn8 -","4","0.5","","Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus","Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3","Organometallics","2013","32","15","4262","","10.1021/om400432k","","","0.71073","MoKα","","0.0387","0.0345","","","0.0687","0.07","","","","","","1.205","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081124","21.1681","0.0009","18.5763","0.001","25.2229","0.0013","90","","90","","90","","9918.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61.8 H56.2 O P3 Ru -","- C61.8 H56.2 O P3 Ru -","- C494.4 H449.6 O8 P24 Ru8 -","8","1","","Samouei, Hamidreza; Grushin, Vladimir V.","New, Highly Efficient, Simple, Safe, and Scalable Synthesis of [(Ph3P)3Ru(CO)(H)2]","Organometallics","2013","32","15","4440","","10.1021/om400461w","","","0.71073","MoKα","","0.0822","0.0449","","","0.106","0.128","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081195","17.479","0.005","15.373","0.005","19.062","0.005","90","","90","","90","","5122","3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","{CY5[NP]DMP(PPh2)}(K)(THF)","","","- C58 H66 K2 N2 O2 P2 -","- C58 H66 K2 N2 O2 P2 -","- C232 H264 K8 N8 O8 P8 -","4","0.5","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71069","MoKα","","0.049","0.041","","","0.1005","0.1072","","","","","","1.015","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081275","19.6738","0.0013","18.0264","0.0012","21.1293","0.0014","90","","90","","90","","7493.5","0.9","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H56 I N2 U -","- C39 H56 I N2 U -","- C312 H448 I8 N16 U8 -","8","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.0304","0.0246","","","0.0596","0.0625","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081346","13.542","0.003","22.443","0.005","35.743","0.007","90","","90","","90","","10863","4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H82 N4 O2 Sr -","- C56 H82 N4 O2 Sr -","- C448 H656 N32 O16 Sr8 -","8","1","","Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.","Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity","Organometallics","2013","32","16","4636","","10.1021/om400622d","","","0.71073","MoKα","","0.1024","0.0618","","","0.1008","0.1114","","","","","","1.092","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081367","17.8564","0.0004","16.0031","0.0004","19.9027","0.0004","90","","90","","90","","5687.4","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H32 F3 N3 O6 Pd S -","- C25 H32 F3 N3 O6 Pd S -","- C200 H256 F24 N24 O48 Pd8 S8 -","8","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0437","0.029","","","0.0586","0.0656","","","","","","1.068","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081442","18.5126","0.0002","17.52419","0.00019","20.2002","0.0002","90","","90","","90","","6553.31","0.12","110","1","110","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.77 H52.43 N Ni O1.94 P2 S -","- C28.768 H52.42 N Ni O1.942 P2 S -","- C230.144 H419.36 N8 Ni8 O15.536 P16 S8 -","8","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0704","0.0648","","","0.1487","0.1521","","","","","","1.106","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081462","12.2149","0.0006","18.3881","0.0008","18.7489","0.0009","90","","90","","90","","4211.2","0.3","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Fe2 O6 S Si -","- C19 H16 Fe2 O6 S Si -","- C152 H128 Fe16 O48 S8 Si8 -","8","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0401","0.0353","","","0.0817","0.0849","","","","","","1.072","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081529","10.5867","0.0006","10.9127","0.0007","16.5647","0.0009","90","","90","","90","","1913.71","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Fe N6 -","- C20 H28 Fe N6 -","- C80 H112 Fe4 N24 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0313","0.0274","","","0.0793","0.0811","","","","","","1.064","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081572","17.55","0.005","18.129","0.005","18.314","0.005","90","0.005","90","0.005","90","0.005","5827","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.","Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C5Me5)2Yb(3,3′-Me2-bipy)","Organometallics","2013","32","19","5305","","10.1021/om400528d","","","0.71069","MoKα","","0.0353","0.0247","","","","0.0574","","","","","","1.078","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081578","16.2256","0.0002","17.4125","0.0002","25.6091","0.0002","90","","90","","90","","7235.29","0.13","123.01","0.1","123.01","0.1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C37 H52 F6 Fe P Ru -","- C37 H52 F6 Fe P Ru -","- C296 H416 F48 Fe8 P8 Ru8 -","8","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","x-ray","1.54184","CuKα","","0.0463","0.037","","","0.0827","0.0884","","","","","","1.062","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081599","17.736","0.0004","19.175","0.0005","23.708","0.0004","90","","90","","90","","8062.8","0.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H80 Cl2 F12 I2 N4 P4 Sb4 Si4 -","- C63 H78 Cl2 F12 I2 N4 P4 Sb4 Si4 -","- C252 H312 Cl8 F48 I8 N16 P16 Sb16 Si16 -","4","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.0963","0.0679","","","0.1111","0.1235","","","","","","1.173","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081650","20.652","0.0007","21.0587","0.0007","21.6212","0.0007","90","","90","","90","","9403.2","0.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H58 Cl F5 N4 O3 Ru S -","- C48 H58 Cl F5 N4 O3 Ru S -","- C384 H464 Cl8 F40 N32 O24 Ru8 S8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","A New Route to Ruthenium Thiolate Alkylidene Complexes","Organometallics","2013","32","19","5253","","10.1021/om400740p","","","0.71073","MoKα","","0.1092","0.0491","","","0.0923","0.1116","","","","","","1.003","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081651","10.9876","0.0009","17.2317","0.0013","27.31","0.002","90","","90","","90","","5170.7","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466)","","- C11 H14 O2 S Si -","- C11 H14 O2 S Si -","- C176 H224 O32 S16 Si16 -","16","2","","Baldridge, Kim K.; Bunker, Kevin D.; Vélez, Carmen L.; Holland, Ryan L.; Rheingold, Arnold L.; Moore, Curtis E.; O’Connor, Joseph M.","Structural Characterization of (C5H5)Co(PPh3)(η2-alkyne) and (C5H5)Co(η2-alkyne) Complexes of Highly Polarized Alkynes","Organometallics","2013","32","19","5473","","10.1021/om400749g","","x-ray","0.71073","MoKα","K-L~3~","0.0376","0.0329","","","0.0867","0.0902","","","","","","1.034","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081712","11.472","0.004","37.285","0.014","13.446","0.005","90","","90","","90","","5751","4","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H45 B N2 O3 P2 Ru -","- C26 H45 B N2 O3 P2 Ru -","- C208 H360 B8 N16 O24 P16 Ru8 -","8","1","","Miyada, Takuma; Yamashita, Makoto","Oxygenation of a Ruthenium Complex Bearing a PBP-Pincer Ligand Inducing the Formation of a Boronato Ligand with a Weak Ru‒O Bond","Organometallics","2013","32","19","5281","","10.1021/om400915x","","","0.71075","MoKα","","0.0797","0.0587","","","0.0883","0.0957","","","","","","1.177","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081731","20.774","0.0005","15.1577","0.0003","22.9277","0.0005","90","","90","","90","","7219.6","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1","","","- C32 H40 Ge2 N2 O5 W -","- C32 H40 Ge2 N2 O5 W -","- C256 H320 Ge16 N16 O40 W8 -","8","1","","Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric","Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene","Organometallics","2013","32","22","6658","","10.1021/om400361n","","","1.54178","CuKα","","0.0426","0.0387","","","0.1118","0.1184","","","","","","1.079","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081738","10.1922","0.0011","14.6406","0.0015","25.205","0.003","90","","90","","90","","3761.1","0.7","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl3 N6 Ta -","- C14 H24 Cl3 N6 Ta -","- C112 H192 Cl24 N48 Ta8 -","8","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0544","0.0283","","","0.0554","0.0626","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081802","8.5464","0.0008","18.25","0.0016","34.363","0.003","90","","90","","90","","5359.7","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 B O P -","- C33 H36 B O P -","- C264 H288 B8 O8 P8 -","8","1","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.1371","0.0667","","","0.1202","0.1432","","","","","","0.93","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081807","19.628","0.01","21.691","0.013","21.83","0.012","90","","90","","90","","9294","9","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H71 B K N2 O7 -","- C49 H71 B K N2 O7 -","- C392 H568 B8 K8 N16 O56 -","8","1","","Kushida, Tomokatsu; Yamaguchi, Shigehiro","A Radical Anion of Structurally Constrained Triphenylborane","Organometallics","2013","32","22","6654","","10.1021/om400560u","","","0.7107","MoKa","","0.0754","0.0666","","","0.1629","0.1733","","","","","","1.096","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081859","12.8487","0.0004","13.8907","0.0004","34.2663","0.0009","90","","90","","90","","6115.8","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H44 B F4 N2 P -","- C31 H44 B F4 N2 P -","- C248 H352 B8 F32 N16 P8 -","8","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","1.54178","CuKα","","0.0678","0.051","","","0.132","0.148","","","","","","1.013","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081909","15.3704","0.0005","15.6192","0.0005","25.9025","0.0011","90","","90","","90","","6218.5","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F4 Ir N5 O4 -","- C34 H24 F4 Ir N5 O4 -","- C272 H192 F32 Ir8 N40 O32 -","8","1","","Oh, Hankook; Park, Ki-Min; Hwang, Hyonseok; Oh, Sihyun; Lee, Ji Hye; Lu, Jia-Sheng; Wang, Suning; Kang, Youngjin","Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands","Organometallics","2013","32","21","6427","","10.1021/om400770h","","","0.71073","MoKα","","0.0779","0.0455","","","0.0887","0.1001","","","","","","1.023","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081920","17.4616","0.0009","9.7707","0.0005","35.9822","0.0019","90","","90","","90","","6139","0.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Br2 N5 Pd -","- C30 H35 Br2 N5 Pd -","- C240 H280 Br16 N40 Pd8 -","8","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0799","0.0578","","","0.095","0.1001","","","","","","1.26","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081940","12.8261","0.0009","17.2673","0.0012","23.4196","0.0016","90","","90","","90","","5186.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl3 Ge2 Si3 -","- C15 H33 Cl3 Ge2 Si3 -","- C120 H264 Cl24 Ge16 Si24 -","8","1","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0338","0.0225","","","0.0533","0.0559","","","","","","1.036","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081947","7.8601","0.0001","18.9706","0.0002","26.9778","0.0003","90","","90","","90","","4022.68","0.08","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3-PCP)Os(CO)2Cl","","","- C14 H7 Cl F12 O2 Os P2 -","- C14 H7 Cl F12 O2 Os P2 -","- C112 H56 Cl8 F96 O16 Os8 P16 -","8","1","","Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)","Organometallics","2013","32","21","6468","","10.1021/om400823s","","","0.71073","MoKα","","0.053","0.0334","","","0.0634","0.0684","","","","","","1.058","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081957","24.6355","0.001","20.2804","0.0009","39.6424","0.0016","90","","90","","90","","19806","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52.5 H78.5 Hf N5 -","- C52.5 H78.5 Hf N5 -","- C840 H1256 Hf16 N80 -","16","2","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.04","0.0274","","","0.0557","0.0599","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081995","19.682","0.002","14.4566","0.0017","20.905","0.003","90","","90","","90","","5948.2","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl F6 Ir O P2 -","- C29 H38 Cl F6 Ir O P2 -","- C232 H304 Cl8 F48 Ir8 O8 P16 -","8","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.","Cyclometalated Iridium Complexes from Intramolecular C‒H Activation of [IrCp*Cl{═C(OMe)CH═C(CH3)R}L] (R = CH3, Ph; L = PPh2Me, PMe3)","Organometallics","2013","32","23","7241","","10.1021/om4008778","","","0.71073","MoKα","","0.1442","0.0537","","","0.104","0.1515","","","","","","1.027","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082016","10.3993","0.001","18.3187","0.0017","28.328","0.003","90","","90","","90","","5396.5","0.9","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H44 B Lu N2 Si2 -","- C21 H44 B Lu N2 Si2 -","- C168 H352 B8 Lu8 N16 Si16 -","8","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0311","0.0275","","","0.1125","0.1181","","","","","","1.027","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082017","10.4773","0.0016","18.341","0.003","28.397","0.004","90","","90","","90","","5456.9","1.4","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H44 B N2 Si2 Y -","- C21 H44 B N2 Si2 Y -","- C168 H352 B8 N16 Si16 Y8 -","8","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0772","0.0397","","","0.0795","0.0912","","","","","","1.035","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082052","20.9457","0.0003","19.1797","0.0004","23.0383","0.0005","90","","90","","90","","9255.2","0.3","200.1","0.3","200.1","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H58 Cl2 N4 O Rh2 -","- C50 H58 Cl2 N4 O Rh2 -","- C400 H464 Cl16 N32 O8 Rh16 -","8","1","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","1.5418","CuKα","","0.0749","0.0592","","","0.1862","0.2151","","","","","","1.224","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082054","16.313","0.005","11.584","0.005","36.423","0.005","90","","90","","90","","6883","4","123","0.1","123","0.1","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C33 H51 B Mo2 O2 P2 -","- C33 H51 B Mo2 O2 P2 -","- C264 H408 B8 Mo16 O16 P16 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Novel Dimerization of Maleic Anhydride at a Mo2 Complex: Phase-Driven Keto/Enol Tautomerism in a Phosphinidenium‒Ylide Complex","Organometallics","2013","32","21","6178","","10.1021/om4009586","","x-ray","1.5418","CuKα","","0.0456","0.0375","","","0.1031","0.1072","","","","","","1.101","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4082056","16.459","0.0005","14.0598","0.0004","19.597","0.0006","90","","90","","90","","4534.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H37 B11 Ir P -","- C15 H37 B11 Ir P -","- C120 H296 B88 Ir8 P8 -","8","1","","El-Hellani, Ahmad; Kefalidis, Christos E.; Tham, Fook S.; Maron, Laurent; Lavallo, Vincent","Structure and Bonding of a Zwitterionic Iridium Complex Supported by a Phosphine with the Parent Carba-closo-dodecaborate CB11H11‒Ligand Substituent","Organometallics","2013","32","23","6887","","10.1021/om401001p","","","0.71073","MoKα","","0.0269","0.0233","","","0.0694","0.0718","","","","","","1.086","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082067","7.21921","0.00017","11.7082","0.0003","29.1083","0.0007","90","","90","","90","","2460.35","0.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N Se -","- C12 H12 Br N Se -","- C96 H96 Br8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","1.54184","CuKα","","0.0485","0.0378","","","0.1056","0.1108","","","","","","1.051","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082069","9.1305","0.0005","13.9195","0.0008","19.2955","0.0011","90","","90","","90","","2452.3","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 Se -","- C13 H12 N2 Se -","- C104 H96 N16 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","0.71073","MoKα","","0.1808","0.0301","","","0.046","0.0574","","","","","","0.663","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082135","13.401","0.002","14.041","0.003","16.643","0.003","90","","90","","90","","3131.6","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H22 B12 Si -","- C6 H22 B12 Si -","- C48 H176 B96 Si8 -","8","1","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1396","0.0667","","","0.1606","0.2033","","","","","","1.002","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082206","13.142","0.003","10.518","0.002","17.372","0.003","90","","90","","90","","2401.3","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 F8 N2 Ni -","- C8 H6 F8 N2 Ni -","- C64 H48 F64 N16 Ni8 -","8","1","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0741","0.0623","","","0.1248","0.1307","","","","","","1.204","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082239","20.1012","0.0005","11.2224","0.0002","22.9667","0.0005","90","","90","","90","","5180.91","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H48 Cl2 Cu2 P2 Pd2 -","- C54 H48 Cl2 Cu2 P2 Pd2 -","- C216 H192 Cl8 Cu8 P8 Pd8 -","4","0.5","","Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.","Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling","Organometallics","2014","33","1","1","","10.1021/om4005498","","","0.71073","MoKα","","0.0625","0.0359","","","0.0869","0.0931","","","","","","0.964","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082325","11.2997","0.0004","14.9484","0.0005","31.7286","0.0011","90","","90","","90","","5359.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 N2 Zn -","- C28 H48 N2 Zn -","- C224 H384 N16 Zn8 -","8","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.0827","0.0432","","","0.0897","0.0985","","","","","","0.982","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082355","16.021","0.002","11.6893","0.0015","17.185","0.003","90","","90","","90","","3218.3","0.8","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H20 Cl3 Fe N2 -","- C11 H20 Cl3 Fe N2 -","- C88 H160 Cl24 Fe8 N16 -","8","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0409","","","","0.0724","","","","","","1.004","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082376","23.85","0.0018","16.201","0.0011","12.761","0.009","90","","90","","90","","4931","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Cl Co N3 O7 -","- C24 H27 Cl Co N3 O7 -","- C192 H216 Cl8 Co8 N24 O56 -","8","1","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica","A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate","Organometallics","2014","33","4","909","","10.1021/om401038v","","","1","synchrotron","","0.0558","0.0557","","","0.1391","0.1394","","","","","","1.2","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082418","20.2423","0.0012","16.2452","0.001","21.0095","0.0014","90","","90","","90","","6908.8","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H33 Cl2 Fe Mn O4 P2 S2 -","- C34 H33 Cl2 Fe Mn O4 P2 S2 -","- C272 H264 Cl16 Fe8 Mn8 O32 P16 S16 -","8","1","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0408","0.0283","","","0.068","0.0762","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082439","19.0946","0.0006","11.084","0.0003","31.8307","0.0012","90","","90","","90","","6736.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 N3 P2 Pd -","- C42 H35 N3 P2 Pd -","- C336 H280 N24 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0487","0.0354","","","0.0845","0.0924","","","","","","1.058","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082441","16.678","0.011","19.729","0.018","21.472","0.012","90","","90","","90","","7065","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 I2 O P2 Pd -","- C39 H32 I2 O P2 Pd -","- C312 H256 I16 O8 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.128","0.0602","","","0.1135","0.1346","","","","","","1.056","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082442","15.9178","0.0004","20.2527","0.0005","23.6017","0.0005","90","","90","","90","","7608.7","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cl3 N6 O P2 Pd -","- C40 H33 Cl3 N6 O P2 Pd -","- C320 H264 Cl24 N48 O8 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0584","0.0402","","","0.0942","0.1055","","","","","","1.026","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082447","16.5227","0.0011","19.163","0.0013","24.0933","0.0017","90","","90","","90","","7628.5","0.9","187","2","187","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H51 Mg N2 O P -","- C44 H51 Mg N2 O P -","- C352 H408 Mg8 N16 O8 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1597","0.1131","","","0.2941","0.3385","","","","","","1.036","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082448","18.0013","0.0014","19.5713","0.0016","23.3879","0.0019","90","","90","","90","","8239.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H55 Mg N2 O P -","- C46 H55 Mg N2 O P -","- C368 H440 Mg8 N16 O8 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1454","0.0697","","","0.1494","0.1839","","","","","","1.004","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082514","27.304","0.003","11.2118","0.0011","31.402","0.003","90","","90","","90","","9613","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H53 Br Cl3 N3 O3 Pd -","- C47 H53 Br Cl3 N3 O3 Pd -","- C376 H424 Br8 Cl24 N24 O24 Pd8 -","8","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0556","0.0421","","","0.0868","0.0911","","","","","","1.128","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082520","12.8765","0.0013","14.3057","0.0014","24.212","0.002","90","","90","","90","","4460","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 F3 N O5 S -","- C21 H24 F3 N O5 S -","- C168 H192 F24 N8 O40 S8 -","8","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0979","0.0802","","","0.1665","0.1748","","","","","","1.236","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082547","9.964","0.0002","16.355","0.0004","22.0192","0.0005","90","","90","","90","","3588.28","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N P S -","- C22 H18 N P S -","- C176 H144 N8 P8 S8 -","8","1","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0432","0.0308","","","0.0724","0.0787","","","","","","1.042","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082554","15.7183","0.0015","12.804","0.0012","18.5749","0.0018","90","","90","","90","","3738.3","0.6","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sjfbk22","","","- C18 H26 N2 O4 Si -","- C18 H26 N2 O4 Si -","- C144 H208 N16 O32 Si8 -","8","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0776","0.0427","","","0.0921","0.1073","","","","","","1.013","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082569","18.2652","0.0006","18.2872","0.0006","22.2926","0.0008","90","","90","","90","","7446.2","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C62 H92 Cu2 F6 N8 O8 S2 Si4 -","- C62 H92 Cu2 F6 N8 O8 S2 Si4 -","- C248 H368 Cu8 F24 N32 O32 S8 Si16 -","4","0.5","","Tan, Gengwen; Blom, Burgert; Gallego, Daniel; Driess, Matthias","Facile Access to Mono- and Dinuclear Heteroleptic N-Heterocyclic Silylene Copper Complexes","Organometallics","2014","33","1","363","","10.1021/om4011033","","","0.71073","MoKα","","0.0917","0.0708","","","0.141","0.1508","","","","","","1.097","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082690","20.0859","0.0015","24.0588","0.0016","28.841","0.002","90","","90","","90","","13937.2","1.7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C78 H59 N2 Ni -","- C78 H59 N2 Ni -","- C624 H472 N16 Ni8 -","8","1","","Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke","One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit","Organometallics","2014","33","5","1276","","10.1021/om500088p","","","0.71075","MoKα","","0.2306","0.0967","","","0.1962","0.2495","","","","","","0.91","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082749","8.7374","0.0017","11.492","0.002","24.169","0.005","90","","90","","90","","2426.8","0.8","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 K O3 Ru -","- C11 H13 K O3 Ru -","- C88 H104 K8 O24 Ru8 -","8","1","","Kalz, Kai F.; Kindermann, Nicole; Xiang, Sheng-Qi; Kronz, Andreas; Lange, Adam; Meyer, Franc","Revisiting the Synthesis and Elucidating the Structure of Potassium Cyclopentadienyldicarbonylruthenate, K[CpRu(CO)2]","Organometallics","2014","33","6","1475","","10.1021/om500107j","","","0.71073","MoKα","","0.03","0.0249","","","0.0637","0.0659","","","","","","1.073","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082822","23.5771","0.0012","7.5787","0.0005","28.8018","0.0014","90","","90","","90","","5146.4","0.5","104.95","0.1","104.95","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cl2 Fe2 N2 O2 S -","- C29 H22 Cl2 Fe2 N2 O2 S -","- C232 H176 Cl16 Fe16 N16 O16 S8 -","8","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","1.54184","CuKα","","0.0949","0.0623","","","0.153","0.1789","","","","","","1.018","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082843","8.1846","0.0007","20.3198","0.0016","39.301","0.003","90","","90","","90","","6536.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H53 N4 Zr -","- C37 H53 N4 Zr -","- C296 H424 N32 Zr8 -","8","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","1.54184","CuKα","","0.0916","0.0647","","","0.1153","0.1245","","","","","","1.133","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082902","13.036","0.005","19.934","0.005","22.598","0.005","90","","90","","90","","5872","3","107.2","0.2","107.2","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Fe2 Si -","- C38 H34 Fe2 Si -","- C304 H272 Fe16 Si8 -","8","1","","Lehrich, Steve W.; Hildebrandt, Alexander; Rüffer, Tobias; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis, Characterization, Electrochemistry, and Computational Studies of Ferrocenyl-Substituted Siloles","Organometallics","2014","33","18","4836","","10.1021/om500072q","","","0.71073","MoKα","","0.0316","0.0258","","","0.0635","0.0656","","","","","","1.03","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082922","8.321","0.004","20.941","0.009","30.868","0.013","90","","90","","90","","5379","4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br2 N4 O3 Pd S -","- C22 H30 Br2 N4 O3 Pd S -","- C176 H240 Br16 N32 O24 Pd8 S8 -","8","1","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0669","0.042","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082961","23.772","0.0008","21.7328","0.0007","25.8611","0.0007","90","","90","","90","","13360.7","0.7","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H85 Co N3 O P3 S Zr -","- C59 H85 Co N3 O P3 S Zr -","- C472 H680 Co8 N24 O8 P24 S8 Zr8 -","8","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.0649","0.0346","","0.084","0.073","0.084","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083015","14.413","0.003","16.861","0.003","29.284","0.006","90","","90","","90","","7117","2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H60 Al4 N4 -","- C25 H60 Al4 N4 -","- C200 H480 Al32 N32 -","8","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0838","0.0471","","","0.1027","0.1216","","","","","","1.075","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083043","12.9654","0.0007","17.2909","0.001","22.5692","0.0013","90","","90","","90","","5059.6","0.5","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 O6 P Ru S2 -","- C25 H31 O6 P Ru S2 -","- C200 H248 O48 P8 Ru8 S16 -","8","1","","Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin","Ruthenium(IV) Complexes for Ethylene Insertion Polymerization","Organometallics","2014","33","8","1913","","10.1021/om5001343","","","0.71073","MoKα","","0.0253","0.022","","","0.0555","0.0573","","","","","","1.052","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083058","18.6145","0.0003","18.8636","0.0003","27.1879","0.0019","90","","90","","90","","9546.7","0.7","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 B4 F24 Mn N3 O3 -","- C41 H30 B4 F24 Mn N3 O3 -","- C328 H240 B32 F192 Mn8 N24 O24 -","8","1","","Carter, Tyler J.; Wang, Justin Y.; Szymczak, Nathaniel K.","Manganese-Mediated Hydride Delivery to a Borazine by Stepwise Reduction and Protonation","Organometallics","2014","33","7","1540","","10.1021/om500157m","","","1.54178","CuKα","","0.073","0.067","","","0.1763","0.181","","","","","","1.192","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083079","12.1857","0.0005","7.6441","0.0002","19.584","0.0008","90","","90","","90","","1824.22","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(IMeEtOH)AuCl]","","","- C6 H10 Au Cl N2 O -","- C6 H10 Au Cl N2 O -","- C48 H80 Au8 Cl8 N16 O8 -","8","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0671","0.0383","","","0.0824","0.0954","","","","","","1.115","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083159","13.702","0.003","14.544","0.003","26.567","0.005","90","","90","","90","","5294.3","1.9","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 P Sn -","- C30 H23 Cl2 P Sn -","- C240 H184 Cl16 P8 Sn8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0735","0.0363","","","0.0774","0.0878","","","","","","0.913","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083185","14.1031","0.001","18.697","0.0013","20.026","0.0014","90","","90","","90","","5280.6","0.6","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Cl P Sn -","- C26 H40 Cl P Sn -","- C208 H320 Cl8 P8 Sn8 -","8","1","","Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions","Organometallics","2014","33","10","2424","","10.1021/om500289b","","","0.71075","MoKα","","","0.0321","","","","0.0723","","","","","","0.901","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083219","16.6772","0.0019","14.3498","0.0016","22.951","0.003","90","","90","","90","","5492.5","1.1","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H106 B40 Co4 N4 O17 S12 -","- C72 H106 B40 Co4 N4 O17 S12 -","- C144 H212 B80 Co8 N8 O34 S24 -","2","0.25","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0688","0.0519","","","0.1192","0.1237","","","","","","1.041","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083221","18.303","0.004","15.749","0.004","19.462","0.005","90","","90","","90","","5610","2","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B10 Co N O2 S3 -","- C22 H28 B10 Co N O2 S3 -","- C176 H224 B80 Co8 N8 O16 S24 -","8","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0556","0.0446","","","0.1097","0.1128","","","","","","1.095","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083297","11.6747","0.0016","12.9731","0.0018","26.144","0.004","90","","90","","90","","3959.7","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Co S2 -","- C12 H25 B10 Co S2 -","- C96 H200 B80 Co8 S16 -","8","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0716","0.0442","","","0.0916","0.0969","","","","","","0.854","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083301","8.991","0.002","16.224","0.004","19.026","0.005","90","","90","","90","","2775.3","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B20 O2 S4 -","- C12 H28 B20 O2 S4 -","- C48 H112 B80 O8 S16 -","4","0.5","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0382","0.0351","","","0.1032","0.1054","","","","","","1.077","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083312","20.9911","0.0002","19.1749","0.0002","21.725","0.0002","90","","90","","90","","8744.36","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Li N O3 Si -","- C48 H56 Li N O3 Si -","- C384 H448 Li8 N8 O24 Si8 -","8","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","1.54178","CuKα","","0.0413","0.037","","","0.1","0.1049","","","","","","1.001","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083412","17.1262","0.0005","17.6768","0.0005","18.0392","0.0005","90","","90","","90","","5461.1","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H29 Ir N4 -","- C34 H29 Ir N4 -","- C272 H232 Ir8 N32 -","8","1","","Stringer, Bradley D.; Quan, Linh M.; Barnard, Peter J.; Wilson, David J. D.; Hogan, Conor F.","Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence","Organometallics","2014","33","18","4860","","10.1021/om500076w","","","0.71073","MoKα","","0.0373","0.0232","","","0.0495","0.0577","","","","","","1.152","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083429","18.5936","0.0007","7.8441","0.0003","24.6284","0.0011","90","","90","","90","","3592.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O4 Pt -","- C18 H23 N3 O4 Pt -","- C144 H184 N24 O32 Pt8 -","8","1","","Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Sequential Introduction of Amide Hydrogen Bonding Groups","Organometallics","2009","28","13","3754","","10.1021/om900272w","","","0.71073","MoKα","","0.1008","0.0401","","","0.0741","0.0887","","","","","","0.911","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083432","19.5742","0.0009","11.7078","0.0006","26.4041","0.0013","90","","90","","90","","6051","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H39 Br N4 O5 Pt -","- C30 H39 Br N4 O5 Pt -","- C240 H312 Br8 N32 O40 Pt8 -","8","1","","Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Sequential Introduction of Amide Hydrogen Bonding Groups","Organometallics","2009","28","13","3754","","10.1021/om900272w","","","0.71073","MoKα","","0.0771","0.0358","","","0.0622","0.0732","","","","","","0.999","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083486","20.1469","0.0002","18.18328","0.00018","22.0518","0.0002","90","","90","","90","","8078.38","0.13","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H49 Al Cl4 Cu N5 -","- C38 H49 Al Cl4 Cu N5 -","- C304 H392 Al8 Cl32 Cu8 N40 -","8","1","","Nako, Adi E.; Tan, Qian Wen; White, Andrew J. P.; Crimmin, Mark R.","Weakly Coordinated Zinc and Aluminum σ-Complexes of Copper(I)","Organometallics","2014","33","11","2685","","10.1021/om500380k","","","1.54184","CuKα","","0.0389","0.0323","","","0.0834","0.0879","","","","","","1.013","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083584","11.008","0.003","14.337","0.004","23.124","0.006","90","","90","","90","","3649.5","1.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N5 -","- C22 H21 N5 -","- C176 H168 N40 -","8","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0711","0.0457","","","0.1166","0.1316","","","","","","1.047","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083601","13.6","0.008","10.698","0.007","25.474","0.016","90","","90","","90","","3706","4","297","2","297","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","1-bromo-3,5-bis(pentafluorophenyl)-4-nitro-benzene","4-bromo-N,N-dioxo-2,6-bis(pentafluorophenyl)anilinium","","- C18 H2 Br F10 N O2 -","- C18 H2 Br F10 N O2 -","- C144 H16 Br8 F80 N8 O16 -","8","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.0783","0.0536","","","0.1009","0.1094","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083609","9.609","0.0008","28.226","0.003","31.973","0.003","90","","90","","90","","8671.8","1.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H44 Cl8 N6 Pd -","- C40 H44 Cl8 N6 Pd -","- C320 H352 Cl64 N48 Pd8 -","8","1","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0891","0.0614","","","0.1241","0.1392","","","","","","1.103","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083688","14.3447","0.0002","13.4055","0.0002","21.8565","0.0004","90","","90","","90","","4202.96","0.12","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H39 N2 O P2 Re -","- C16 H39 N2 O P2 Re -","- C128 H312 N16 O8 P16 Re8 -","8","1","","Choualeb, Aldjia; Lough, Alan J.; Gusev, Dmitry G.","Hydridic Rhenium Nitrosyl Complexes with Pincer-Type PNP Ligands","Organometallics","2007","26","14","3509","","10.1021/om070206+","","","0.71073","MoKα","","0.0556","0.037","","","0.0826","0.0911","","","","","","1.121","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083707","9.3985","0.0004","7.3499","0.0004","17.0003","0.0008","90","","90","","90","","1174.35","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 B2 N2 -","- C8 H24 B2 N2 -","- C32 H96 B8 N8 -","4","0.5","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides","Organometallics","2014","33","20","5716","","10.1021/om500467b","","","0.71073","MoKα","","0.0936","0.0688","","","0.1667","0.1833","","","","","","1.152","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083756","14.5544","0.0006","15.7135","0.0006","19.3095","0.0007","90","","90","","90","","4416.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cmpd15","cmpd15","","- C21 H35 Mo N3 O -","- C21 H35 Mo N3 O -","- C168 H280 Mo8 N24 O8 -","8","1","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0237","0.02","","","0.0437","0.045","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083757","17.874","0.002","18.164","0.002","21.06","0.003","90","","90","","90","","6837.4","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H47 Fe O P Sn -","- C36 H47 Fe O P Sn -","- C288 H376 Fe8 O8 P8 Sn8 -","8","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0674","0.0488","","","0.1261","0.1445","","","","","","1.037","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083783","20.2789","0.0006","9.4519","0.0003","21.9379","0.0007","90","","90","","90","","4204.9","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br2 Cl3 N3 Pd -","- C17 H18 Br2 Cl3 N3 Pd -","- C136 H144 Br16 Cl24 N24 Pd8 -","8","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0358","0.024","","","0.0485","0.0513","","","","","","1.034","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083799","11.6387","0.0007","20.9611","0.0013","28.5005","0.0017","90","","90","","90","","6953","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C264 H200 B8 Cl16 F32 N32 O48 Ru16 -","8","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0729","0.0597","","","0.112","0.1166","","","","","","1.241","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083856","29.57","0.0013","14.856","0.004","14.926","0.0015","90","","90","","90","","6556.9","1.9","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H44 N2 O4 Pt -","- C34 H44 N2 O4 Pt -","- C272 H352 N16 O32 Pt8 -","8","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands","Organometallics","2014","","","140701164044003","","10.1021/om500383b","","","0.71073","MoKα","","0.0879","0.0409","","","0.0611","0.0741","","","","","","1.178","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083929","21.766","0.003","18.131","0.003","22.381","0.004","90","","90","","90","","8832","2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H44 Cl O3.5 P2 Ru S -","- C53 H44 Cl O3.5 P2 Ru S -","- C424 H352 Cl8 O28 P16 Ru8 S8 -","8","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.1424","0.0586","","","0.1094","0.1418","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084009","17.2925","0.0003","18.7276","0.0003","22.4687","0.0003","90","","90","","90","","7276.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H26 Cl O13 Os3 Sb -","- C31 H26 Cl O13 Os3 Sb -","- C248 H208 Cl8 O104 Os24 Sb8 -","8","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0254","0.0211","","","0.0433","0.0446","","","","","","1.111","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084053","12.36","0.006","16.735","0.008","17.747","0.009","90","","90","","90","","3671","3","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Fe N -","- C23 H23 Fe N -","- C184 H184 Fe8 N8 -","8","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71069","MoKα","","0.1297","0.0539","","","0.1039","0.1256","","","","","","0.998","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084066","6.3972","0.0001","19.2951","0.0004","21.8976","0.0006","90","","90","","90","","2702.92","0.1","203","2","203","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Au Cl O P -","- C12 H17 Au Cl O P -","- C96 H136 Au8 Cl8 O8 P8 -","8","1","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","x-ray","0.71073","MoKα","","0.05","0.0343","","","0.0789","0.0843","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084088","14.1181","0.0002","13.603","0.0002","17.5427","0.0002","90","","90","","90","","3369.05","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 Cr N -","- C18 H18 Cl2 Cr N -","- C144 H144 Cl16 Cr8 N8 -","8","1","","Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans","New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization","Organometallics","2001","20","24","5005","","10.1021/om010753+","","","0.71073","MoKα","","0.054","0.0305","","","0.0749","0.0823","","","","","","0.956","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084150","14.9104","0.0005","20.7073","0.0007","22.3889","0.0007","90","","90","","90","","6912.7","0.4","153","","153","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H39 Cl F6 Ir Ni P3 S2 -","- C29 H39 Cl F6 Ir Ni P3 S2 -","- C232 H312 Cl8 F48 Ir8 Ni8 P24 S16 -","8","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0501","","","","0.1416","","","","","","1.125","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084176","14.132","0.0007","16.1975","0.0011","18.2062","0.001","90","","90","","90","","4167.5","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Al B Cl4 N2 O2 -","- C15 H20 Al B Cl4 N2 O2 -","- C120 H160 Al8 B8 Cl32 N16 O16 -","8","1","","Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav","Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution","Organometallics","2014","33","16","4165","","10.1021/om500434r","","","0.71073","","","0.0636","0.036","","","0.087","0.1117","","","","","","1.094","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084265","15.4907","0.001","15.9467","0.001","22.5005","0.0015","90","","90","","90","","5558.2","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H37 Cr N6 -","- C27 H37 Cr N6 -","- C216 H296 Cr8 N48 -","8","1","","Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert","Chromium-Catalyzed CO2‒Epoxide Copolymerization","Organometallics","2014","33","17","4401","","10.1021/om5005644","","","0.71073","MoKα","","0.1226","0.0702","","","0.1649","0.1963","","","","","","1.03","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084310","22.2634","0.0013","21.2876","0.0012","22.5234","0.0013","90","","90","","90","","10674.6","1.1","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","8 in manuscript","","","- C57.5 H46 Au B Cl F15 Fe N2 -","- C57.5 H46 Au B Cl F15 Fe N2 -","- C460 H368 Au8 B8 Cl8 F120 Fe8 N16 -","8","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0748","0.0373","","","0.0664","0.0787","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084321","11.7271","0.0014","15.6966","0.0019","20.646","0.003","90","","90","","90","","3800.4","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonjcm23","{[Cp*Rh(O-PhPy)]2}2+ [BF4]2-","","- C42 H46 B2 F8 N2 O2 Rh2 -","- C42 H46 B2 F8 N2 O2 Rh2 -","- C168 H184 B8 F32 N8 O8 Rh8 -","4","0.5","","Turlington, Christopher R.; Morris, James; White, Peter S.; Brennessel, William W.; Jones, William D.; Brookhart, Maurice; Templeton, Joseph L.","Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium‒Carbon Bond of κ2-Coordinated 2-Phenylpyridine","Organometallics","2014","33","17","4442","","10.1021/om500660n","","","0.71073","MoKα","","0.1052","0.0476","","","0.0828","0.0999","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084402","17.421","0.003","21.212","0.004","34.351","0.006","90","","90","","90","","12694","4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61.84 H76.61 Br2 N2 Ni2 O0.46 P2 -","- C61.844 H76.61 Br2 N2 Ni2 O0.461 P2 -","- C494.752 H612.88 Br16 N16 Ni16 O3.688 P16 -","8","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.7107","MoKα","","0.1349","0.0798","","","0.1868","0.2166","","","","","","1.058","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084431","15.162","0.002","22.034","0.003","30.43","0.004","90","","90","","90","","10166","2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(L2)Rh(crotyl)(CO)","","","- C57 H55 O11 P2 Rh -","- C57 H55 O11 P2 Rh -","- C456 H440 O88 P16 Rh8 -","8","1","","Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter","Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene","Organometallics","2014","33","21","6018","","10.1021/om500643t","","","0.71073","MoKα","","0.1037","0.079","","","0.1411","0.1499","","","","","","1.217","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084479","11.4194","0.0008","15.3929","0.0011","26.9717","0.0018","90","","90","","90","","4741","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Cl2 Co N2 P2 -","- C20 H37 Cl2 Co N2 P2 -","- C160 H296 Cl16 Co8 N16 P16 -","8","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.03","0.0244","","","0.0508","0.0525","","","","1.5","1.5","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084481","14.6089","0.0013","17.1689","0.0016","19.2961","0.0018","90","","90","","90","","4839.8","0.8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H37 Cl Co N2 O P2 -","- C21 H37 Cl Co N2 O P2 -","- C168 H296 Cl8 Co8 N16 O8 P16 -","8","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0462","0.029","","","0.0407","0.0424","","","","1.59","1.59","1.48","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084519","16.1828","0.0003","17.4407","0.0003","27.6211","0.0005","90","","90","","90","","7795.8","0.2","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H128 Al2 Li2 -","- C84 H128 Al2 Li2 -","- C336 H512 Al8 Li8 -","4","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","1.54178","CuKα","","0.044","0.0403","","","0.1079","0.1112","","","","","","1.032","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084579","14.582","0.009","27.583","0.017","35.38","0.02","90","","90","","90","","14230","15","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H40 Br Cl2 N3 O2.5 Pd -","- C35 H38 Br Cl2 N3 O2.5 Pd -","- C560 H608 Br16 Cl32 N48 O40 Pd16 -","16","2","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Insertion Reactions on Carbopalladated Benzyne: From Eight- to Nine- and Ten-Membered Palladacycles. Applications to the Synthesis of N-Heterocycles","Organometallics","2014","33","22","6420","","10.1021/om500772p","","","0.71073","MoKα","","0.0718","0.0532","","","0.1313","0.1419","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084599","17.296","0.002","12.4255","0.0014","22.067","0.003","90","","90","","90","","4742.5","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 I N4 Pt -","- C23 H29 I N4 Pt -","- C184 H232 I8 N32 Pt8 -","8","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.086","0.0364","","","0.0603","0.0737","","","","","","1.003","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084641","22.226","0.004","7.2948","0.0015","22.905","0.005","90","","90","","90","","3713.7","1.3","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Br Fe N O6 -","- C18 H14 Br Fe N O6 -","- C144 H112 Br8 Fe8 N8 O48 -","8","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.0777","0.0537","","","0.1159","0.1266","","","","","","1.114","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084704","11.8909","0.0018","23.798","0.004","39.233","0.006","90","","90","","90","","11102","3","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H46 N2 P2 Si -","- C24 H46 N2 P2 Si -","- C384 H736 N32 P32 Si16 -","16","2","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","0.71075","MoKα","","0.1053","0.0661","","","0.1316","0.144","","","","","","1.088","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084706","14.6106","0.0015","16.329","0.0016","25.127","0.003","90","","90","","90","","5994.7","1.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(POCOP)Rh(C6H4F)(NHPh)","","","- C30 H41 F N O2 P2 Rh -","- C30 H41 F N O2 P2 Rh -","- C240 H328 F8 N8 O16 P16 Rh8 -","8","1","","Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V.","Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis","Organometallics","2014","33","19","5254","","10.1021/om500577w","","","0.71073","MoKα","","0.0429","0.0294","","","0.0658","0.0726","","","","","","1.031","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084743","15.534","0.003","19.993","0.004","24.814","0.005","90","","90","","90","","7707","3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C45 H40 Cl N4 O3 P Ru -","- C45 H40 Cl N4 O3 P Ru -","- C360 H320 Cl8 N32 O24 P8 Ru8 -","8","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0622","0.0389","","","0.0762","0.0855","","","","","","1.172","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084762","10.9609","0.0002","16.6816","0.0003","20.7506","0.0004","90","","90","","90","","3794.15","0.12","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N Ti -","- C24 H23 N Ti -","- C192 H184 N8 Ti8 -","8","1","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.0706","0.0392","","","0.0883","0.1045","","","","","","1.029","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084774","15.3095","0.0002","17.2789","0.0003","20.0357","0.0003","90","","90","","90","","5300.07","0.14","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Ni O3 P2 Si -","- C21 H40 Ni O3 P2 Si -","- C168 H320 Ni8 O24 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0266","0.0262","","","0.0738","0.0742","","","","","","1.044","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084780","12.5789","0.0004","11.8184","0.0004","28.1956","0.001","90","","90","","90","","4191.6","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C21.33 H44 F4 Ni1.33 O2.67 P2.67 -","- C21.3333 H44 F4 Ni1.33333 O2.66667 P2.66667 -","- C128 H264 F24 Ni8 O16 P16 -","6","0.75","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0322","0.0321","","","0.0871","0.0873","","","","","","1.063","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084800","16.9056","0.0019","11.9713","0.0014","32.292","0.004","90","","90","","90","","6535.3","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H40 B Ir N4 O3 -","- C35 H40 B Ir N4 O3 -","- C280 H320 B8 Ir8 N32 O24 -","8","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0486","0.0347","","","0.0779","0.083","","","","","","1.077","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084801","11.795","0.003","24.438","0.006","27.574","0.007","90","","90","","90","","7948","3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H50 B N4 O3 Rh Si -","- C42 H50 B N4 O3 Rh Si -","- C336 H400 B8 N32 O24 Rh8 Si8 -","8","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.1222","0.0575","","","0.1066","0.1282","","","","","","1.01","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084820","14.293","0.0012","17.7981","0.0013","31.814","0.0014","90","","90","","90","","8093.1","1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H44 N2 O5 Sn W -","- C43 H44 N2 O5 Sn W -","- C344 H352 N16 O40 Sn8 W8 -","8","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.0626","0.0358","","","0.0643","0.0739","","","","","","1.181","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084825","12.29","0.002","34.719","0.006","15.244","0.003","90","","90","","90","","6505","2","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H51 B2 Cl3 N2 P2 Ru -","- C25 H51 B2 Cl3 N2 P2 Ru -","- C200 H408 B16 Cl24 N16 P16 Ru8 -","8","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.1079","0.0919","","","0.1978","0.2076","","","","","","1.189","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084845","16.083","0.003","19.993","0.003","31.806","0.005","90","","90","","90","","10227","3","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Br Fe N4 O P2 -","- C20 H37 Br Fe N4 O P2 -","- C320 H592 Br16 Fe16 N64 O16 P32 -","16","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0575","0.0393","","","0.0496","0.0505","","","","3.11","3.11","2.77","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4084847","11.641","0.003","15.517","0.003","26.757","0.006","90","","90","","90","","4833.2","1.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H34 Fe N4 O P2 S -","- C19 H34 Fe N4 O P2 S -","- C152 H272 Fe8 N32 O8 P16 S8 -","8","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0316","0.0231","","","0.0324","0.0331","","","","2.12","2.12","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084901","16.6153","0.0007","18.7713","0.0008","24.1979","0.0013","90","","90","","90","","7547.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H56 B2 N2 P2 Pt -","- C38 H56 B2 N2 P2 Pt -","- C304 H448 B16 N16 P16 Pt8 -","8","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.0743","0.0404","","","0.0868","0.0965","","","","","","0.92","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084902","20.396","0.002","9.1234","0.0008","27.157","0.002","90","","90","","90","","5053.4","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H31 B2 N3 -","- C23 H31 B2 N3 -","- C184 H248 B16 N24 -","8","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.1673","0.1265","","","0.2783","0.2922","","","","","","1.181","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084931","15.061","0.006","10.966","0.004","15.944","0.006","90","","90","","90","","2633.3","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N2 O -","- C14 H19 N2 O -","- C112 H152 N16 O8 -","8","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0996","0.0563","","","0.1095","0.1186","","","","","","0.859","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084972","23.108","0.003","8.366","0.001","26.211","0.003","90","","90","","90","","5067.2","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H32 N2 O Pd -","- C29 H32 N2 O Pd -","- C232 H256 N16 O8 Pd8 -","8","1","","Pong, Frances Y.; Mandal, Sukhendu; Sen, Ayusman","Steric and Electronic Effects in Ethene/Norbornene Copolymerization by Neutral Salicylaldiminato-Ligated Palladium(II) Catalysts","Organometallics","2014","33","24","7044","","10.1021/om500470t","","","0.71073","MoKα","","0.0388","0.033","","","0.0769","0.0794","","","","","","1.084","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084985","17.537","0.0006","16.7133","0.0005","19.1594","0.0004","90","","90","","90","","5615.6","0.3","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H58 B2 F8 N2 Ni P4 S2 -","- C56 H58 B2 F8 N2 Ni P4 S2 -","- C224 H232 B8 F32 N8 Ni4 P16 S8 -","4","0.5","","Ghisolfi, Alessio; Condello, Francesca; Fliedel, Christophe; Rosa, Vitor; Braunstein, Pierre","Facile and Room-Temperature Activation of Csp3‒Cl Bonds by Cheap and Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands","Organometallics","2015","34","11","2255","","10.1021/om501004d","","","0.71073","MoKα","","0.0789","0.0433","","","0.109","0.1346","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085127","16.4813","0.0009","16.3435","0.0009","22.2827","0.0012","90","","90","","90","","6002.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H34 Fe3 Ir N O10 -","- C26 H34 Fe3 Ir N O10 -","- C208 H272 Fe24 Ir8 N8 O80 -","8","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano","[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters","Organometallics","2015","34","1","189","","10.1021/om5010513","","","0.71073","MoKα","","0.0494","0.0261","","","0.0486","0.0561","","","","","","1.032","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085199","43.96","0.02","13.802","0.008","10.668","0.006","90","","90","","90","","6473","6","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H37 B10 Co Fe O4 S2 -","- C27 H37 B10 Co Fe O4 S2 -","- C216 H296 B80 Co8 Fe8 O32 S16 -","8","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0592","0.0401","","","0.0832","0.0865","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085225","8.4226","0.00003","23.97936","0.00006","26.69906","0.00007","90","","90","","90","","5392.37","0.03","110","1","110","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Cl Ir N5 -","- C30 H31 Cl Ir N5 -","- C240 H248 Cl8 Ir8 N40 -","8","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","1.5418","CuKα","","0.0181","0.0178","","","0.0441","0.0442","","","","","","1.126","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085234","11.4952","0.0003","13.611","0.0004","26.4708","0.0007","90","","90","","90","","4141.7","0.2","193","2","193","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Cl Fe Ge N2 O4 -","- C15 H23 Cl Fe Ge N2 O4 -","- C120 H184 Cl8 Fe8 Ge8 N16 O32 -","8","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.0577","0.0322","","","0.0839","0.0935","","","","","","1.06","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085264","11.9231","0.0012","23.13","0.003","28.416","0.003","90","","90","","90","","7836.6","1.5","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Au B F4 N4 -","- C38 H58 Au B F4 N4 -","- C304 H464 Au8 B8 F32 N32 -","8","1","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0276","","","","0.0546","","","","","","1.058","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085284","12.3808","0.0002","17.8464","0.0002","29.4377","0.0004","90","","90","","90","","6504.34","0.16","183","1","183","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(μ^2^-Biphenyl-4,4'-diethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-bis(isothiocyanato)-diiron","","- C58 H104 Fe2 N2 P8 S2 -","- C58 H104 Fe2 N2 P8 S2 -","- C232 H416 Fe8 N8 P32 S8 -","4","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.0513","0.0392","","","0.092","0.0992","","","","","","1.023","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085292","14.2515","0.0014","15.9542","0.0015","26.784","0.003","90","","90","","90","","6089.9","1.1","88","2","88","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H49 K N2 O6 Si -","- C26 H49 K N2 O6 Si -","- C208 H392 K8 N16 O48 Si8 -","8","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0573","0.0356","","","0.0786","0.088","","","","","","1.006","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085295","12.087","0.0005","11.422","0.0009","12.2411","0.0008","90","","90","","90","","1689.98","0.19","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H9 B8 Br -","- C2 H9 B8 Br -","- C16 H72 B64 Br8 -","8","1","","Bakardjiev, Mario; Štíbr, Bohumil; Holub, Josef; Padělková, Zdenka; Růžička, Aleš","Simple Synthesis, Halogenation, and Rearrangement ofcloso-1,6-C2B8H10","Organometallics","2015","34","2","450","","10.1021/om500988z","","","0.71073","MoKα","","0.0543","0.0366","","","0.088","0.1003","","","","","","1.137","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085400","16.2393","0.0009","16.5283","0.0009","36.194","0.002","90","","90","","90","","9714.8","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H54 B10 N3 O Y -","- C33 H54 B10 N3 O Y -","- C264 H432 B80 N24 O8 Y8 -","8","1","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.0865","0.044","","","0.1016","0.1132","","","","","","0.949","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085433","19.2637","0.0018","16.7591","0.0018","24.48","0.003","90","","90","","90","","7903.2","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H59 Cl2 N W -","- C41 H59 Cl2 N W -","- C328 H472 Cl16 N8 W8 -","8","1","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain the 2,6-Bis(2,4,6-triisopropylphenyl)phenylimido (NHIPT) Ligand","Organometallics","2015","34","11","2110","","10.1021/om501213x","","","0.71073","MoKα","","0.0823","0.0587","","","0.1315","0.1428","","","","","","1.103","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085497","15.425","0.001","13.013","0.001","22.356","0.002","90","0","90","0","90","0","4487.4","0.6","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 7","","","- C26 H32 Cr N2 -","- C26 H32 Cr N2 -","- C208 H256 Cr8 N16 -","8","1","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.1821","0.0454","","","0.0881","0.1073","","","","","","0.507","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085502","21.026","0.007","13.208","0.005","32.424","0.011","90","","90","","90","","9005","5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C52 H67 N3 W -","- C52 H67 N3 W -","- C416 H536 N24 W8 -","8","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.1038","0.0986","","","0.2269","0.2322","","","","","","1.238","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085560","17.2649","0.0018","16.7361","0.0018","36.86","0.004","90","","90","","90","","10651","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61 H53 F7 N P3 Pt Sb2 -","- C61 H53 F7 N P3 Pt Sb2 -","- C488 H424 F56 N8 P24 Pt8 Sb16 -","8","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.0449","0.0297","","","0.0545","0.0599","","","","","","1.063","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085565","27.517","0.002","15.031","0.001","30.299","0.002","90","","90","","90","","12531.9","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C94.06 H56.37 Cl3.69 Ir N -","- C94.058 H56.372 Cl3.686 Ir N -","- C752.464 H450.976 Cl29.488 Ir8 N8 -","8","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.84344","synchrotron","","0.1232","0.1148","","","0.2615","0.2645","","","","","","1.063","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085609","12.26","0.006","21.8","0.013","32.613","0.018","90","","90","","90","","8716","8","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C41 H34 Au Cl F12 N8 P2 Ru -","- C41 H34 Au Cl F12 N8 P2 Ru -","- C328 H272 Au8 Cl8 F96 N64 P16 Ru8 -","8","1","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.0665","0.0364","","","0.0646","0.0728","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085745","18.955","0.0016","14.3972","0.0008","22.61","0.0018","90","","90","","90","","6170.2","0.8","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N3 O3 Pd S -","- C32 H39 N3 O3 Pd S -","- C256 H312 N24 O24 Pd8 S8 -","8","1","","Li, Minliang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles","Organometallics","2015","34","10","1969","","10.1021/acs.organomet.5b00214","","","0.71075","MoKα","","0.0366","0.0305","","","0.0737","0.0769","","","","","","1.086","","","","has coordinates","140190","2020-10-21","18:00:00",""
"4085751","7.365","0.0006","23.435","0.002","32.712","0.003","90","","90","","90","","5646.1","0.8","115","","115","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Cl O P Ti -","- C31 H42 Cl O P Ti -","- C248 H336 Cl8 O8 P8 Ti8 -","8","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0725","0.0383","","","0.0764","0.0864","","","","","","1.026","","","","has coordinates","136572","2020-10-21","18:00:00",""
"4085794","14.8931","0.0019","20.025","0.003","21.472","0.003","90","","90","","90","","6403.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H47 O P2 Rh -","- C34 H47 O P2 Rh -","- C272 H376 O8 P16 Rh8 -","8","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0921","0.0398","","","0.0842","0.0948","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085822","9.2765","0.0002","16.6175","0.0004","26.6771","0.0006","90","","90","","90","","4112.33","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Fe N2 O P -","- C24 H23 Fe N2 O P -","- C192 H184 Fe8 N16 O8 P8 -","8","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0607","0.0398","","","0.0904","0.0996","","","","","","1.026","","","","has coordinates","140185","2020-10-21","18:00:00",""
"4085823","8.7368","0.0003","13.4194","0.0004","42.4097","0.0012","90","","90","","90","","4972.2","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Fe N2 O P -","- C30 H27 Fe N2 O P -","- C240 H216 Fe8 N16 O8 P8 -","8","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0488","0.0368","","","0.0758","0.0797","","","","","","1.084","","","","has coordinates","140185","2020-10-21","18:00:00",""
"4085838","17.5141","0.0007","14.3683","0.0006","23.0704","0.0009","90","","90","","90","","5805.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H52 N2 Os P2 -","- C27 H52 N2 Os P2 -","- C216 H416 N16 Os8 P16 -","8","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.0308","0.0202","","","0.0423","0.0441","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085877","14.247","0.005","10.234","0.005","24.15","0.005","90","","90","","90","","3521","2","109.95","0.1","109.95","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N Si2 -","- C15 H23 N Si2 -","- C120 H184 N8 Si16 -","8","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","0.71073","MoKα","","0.059","0.0419","","","0.096","0.102","","","","","","1.033","","","","has coordinates","154753","2020-10-21","18:00:00",""
"4085939","18.8526","0.0014","19.576","0.0015","20.9753","0.0016","90","","90","","90","","7741.1","1","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H61 Fe N5 Si -","- C36 H61 Fe N5 Si -","- C288 H488 Fe8 N40 Si8 -","8","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0974","0.052","","","0.1322","0.1618","","","","","","1.017","","","","has coordinates","140203","2020-10-21","18:00:00",""
"4085989","11.993","0.004","18.945","0.006","20.2","0.007","90","","90","","90","","4590","3","140","1","140","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Ir N2 O P0 S -","- C22 H36 Cl Ir N2 O S -","- C176 H288 Cl8 Ir8 N16 O8 S8 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0214","0.0171","","","0.0434","0.0443","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086061","13.6793","0.0002","19.1488","0.0003","19.1655","0.0003","90","","90","","90","","5020.25","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl Ni O2 P2 -","- C26 H31 Cl Ni O2 P2 -","- C208 H248 Cl8 Ni8 O16 P16 -","8","1","","Adhikary, Anubendu; Krause, Jeanette A.; Guan, Hairong","Configurational Stability and Stereochemistry of P-Stereogenic Nickel POCOP-Pincer Complexes","Organometallics","2015","34","14","3603","","10.1021/acs.organomet.5b00402","","","1.54178","CuKα","","0.0429","0.0334","","","0.0832","0.0894","","","","","","1.032","","","","has coordinates","154761","2020-10-21","18:00:00",""
"4086066","8.919","","15.15","","29.221","","90","","90","","90","","3948.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","W (C O) (N O) (P (C H3)3)3 (H C O2)","","- C11 H28 N O4 P3 W -","- C11 H28 N O4 P3 W -","- C88 H224 N8 O32 P24 W8 -","8","1","","Hoeck, J.; Amor, J.I.; Jacobsen, H.; Schmalle, H.W.; Artus, G.R.J.; Fox, T.; Baeth, F.; Berke, H.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086067","13.681","","12.6325","","29.4236","","90","","90","","90","","5085.14","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","W (C O) (N O) (P (C H3)3)3 ((O C H) Fe (C O)4)","","- C15 H28 Fe N O7 P3 W -","- C15 H28 Fe N O7 P3 W -","- C120 H224 Fe8 N8 O56 P24 W8 -","8","1","","Hoeck, J.; Jacobsen, H.; Fox, T.; Schmalle, H.W.; Artus, G.R.J.; Berke, H.; Baeth, F.; Amor, J.I.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086127","14.6595","0.0005","16.7453","0.0007","18.1488","0.0007","90","","90","","90","","4455.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 P S Si -","- C26 H25 P S Si -","- C208 H200 P8 S8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0688","0.0424","","","0.0875","0.0976","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086128","14.664","0.002","16.986","0.004","18.343","0.003","90","","90","","90","","4568.9","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 P Se Si -","- C26 H25 P Se Si -","- C208 H200 P8 Se8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0759","0.0485","","","0.1237","0.1357","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086130","14.756","0.003","16.989","0.003","18.406","0.004","90","","90","","90","","4614.2","1.6","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25 O P S Si -","- C26 H25 O P S Si -","- C208 H200 O8 P8 S8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0733","0.0354","","","0.081","0.1114","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086131","14.6073","0.0006","16.9212","0.0007","18.4091","0.0007","90","","90","","90","","4550.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25 O P Se Si -","- C26 H25 O P Se Si -","- C208 H200 O8 P8 Se8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0426","0.0331","","","0.0847","0.0896","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086168","19.103","0.0014","24.4642","0.0017","25.053","0.0019","90","","90","","90","","11708.3","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28.5 H44 Mg N4 Si -","- C28.5 H44 Mg N4 Si -","- C456 H704 Mg16 N64 Si16 -","16","2","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.","New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides","Organometallics","2015","34","13","3196","","10.1021/acs.organomet.5b00248","","","0.71073","MoKα","","0.075","0.0413","","","0.1097","0.1205","","","","","","0.883","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086209","12.274","0.002","17.139","0.003","23.522","0.004","90","","90","","90","","4948.2","1.5","93.15","","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H37 B Cl Ir N2 P2 -","- C20 H37 B Cl Ir N2 P2 -","- C160 H296 B8 Cl8 Ir8 N16 P16 -","8","1","","Tanoue, Keita; Yamashita, Makoto","Synthesis of Pincer Iridium Complexes Bearing a Boron Atom andiPr-Substituted Phosphorus Atoms: Application to Catalytic Transfer Dehydrogenation of Alkanes","Organometallics","2015","34","16","4011","","10.1021/acs.organomet.5b00376","","","0.71075","MoKα","","0.0409","0.0352","","","0.0702","0.0729","","","","","","1.071","","","","has coordinates","154750","2020-10-21","18:00:00",""
"4086217","10.797","0.003","19.139","0.005","22.244","0.005","90","","90","","90","","4597","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ge N2 O S Si -","- C18 H32 Ge N2 O S Si -","- C144 H256 Ge8 N16 O8 S8 Si8 -","8","1","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0678","0.0519","","","0.1134","0.1201","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086224","19.1987","0.0009","12.6735","0.0007","20.0406","0.0012","90","","90","","90","","4876.2","0.5","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H72 N8 S4 Si8 Zn2 -","- C24 H72 N8 S4 Si8 Zn2 -","- C96 H288 N32 S16 Si32 Zn8 -","4","0.5","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0739","0.0371","","","0.0752","0.088","","","","","","1.037","","","","has coordinates,has disorder","154499","2020-10-21","18:00:00",""
"4086282","14.7502","0.0004","16.7058","0.0004","23.0615","0.0005","90","","90","","90","","5682.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C26 H42 Fe N2 O3 Si2 -","- C26 H42 Fe N2 O3 Si2 -","- C208 H336 Fe8 N16 O24 Si16 -","8","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0437","0.0334","","","0.0798","0.0848","","","","","","1.034","","","","has coordinates,has disorder","160434","2020-10-21","18:00:00",""
"4086379","16.705","0.005","17.471","0.005","26.965","0.008","90","","90","","90","","7870","4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H70 Th -","- C42 H70 Th -","- C336 H560 Th8 -","8","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0537","0.0347","","","0.0712","0.0781","","","","","","1.031","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086442","19.6723","0.0019","11.5289","0.0011","24.095","0.002","90","","90","","90","","5464.7","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Cl2 O6 Os -","- C28 H32 Cl2 O6 Os -","- C224 H256 Cl16 O48 Os8 -","8","1","","Agonigi, Gabriele; Riedel, Tina; Gay, M. Pilar; Biancalana, Lorenzo; Oñate, Enrique; Dyson, Paul J.; Pampaloni, Guido; Păunescu, Emilia; Esteruelas, Miguel A.; Marchetti, Fabio","Arene Osmium Complexes with Ethacrynic Acid-Modified Ligands: Synthesis, Characterization, and Evaluation of Intracellular GlutathioneS-Transferase Inhibition and Antiproliferative Activity","Organometallics","2016","35","7","1046","","10.1021/acs.organomet.6b00197","","","0.71073","MoKα","","0.059","0.0299","","","0.0547","0.0621","","","","","","1.011","","","","has coordinates","182511","2020-10-21","18:00:00",""
"4086463","16.8649","0.0014","15.3436","0.0013","19.7758","0.0017","90","","90","","90","","5117.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-complex","","- C27 H40 Mo N2 O -","- C27 H40 Mo N2 O -","- C216 H320 Mo8 N16 O8 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0232","0.0199","","","0.0458","0.0471","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086464","16.5102","0.0014","15.967","0.0014","16.7203","0.0015","90","","90","","90","","4407.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-cluster JPR-5-34","","- C22 H38 Mo N2 O2 -","- C22 H38 Mo N2 O2 -","- C176 H304 Mo8 N16 O16 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0233","0.0204","","","0.0435","0.0444","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086465","16.53","0.0018","16.7134","0.0018","16.7288","0.0018","90","","90","","90","","4621.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-complex JPR-5-57","","- C23 H38 Mo N2 O3 -","- C23 H38 Mo N2 O3 -","- C184 H304 Mo8 N16 O24 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0272","0.0225","","","0.0475","0.0491","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086467","10.3802","0.0004","15.4178","0.0006","30.7393","0.0013","90","","90","","90","","4919.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","W-complex","","- C26 H42 N2 O W -","- C26 H42 N2 O W -","- C208 H336 N16 O8 W8 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0322","0.0217","","","0.0459","0.0498","","","","","","1.02","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086497","19.9684","0.0016","16.7745","0.0014","22.8246","0.0019","90","","90","","90","","7645.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H62 N2 Si6 Yb -","- C25 H62 N2 Si6 Yb -","- C200 H496 N16 Si48 Yb8 -","8","1","","Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines","Organometallics","2016","35","11","1674","","10.1021/acs.organomet.6b00138","","","0.71073","MoKα","","0.0421","0.0271","","","0.0601","0.0679","","","","","","1.033","","","","has coordinates","183603","2020-10-21","18:00:00",""
"4086506","13.2951","0.0004","14.1131","0.0004","20.4113","0.0005","90","","90","","90","","3829.88","0.18","290.6","0.4","290.6","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C152 H224 O24 Si8 -","8","1","","Liu, Yang; Yang, Yudong; Shi, Yang; Wang, Xiaojie; Zhang, Luoqiang; Cheng, Yangyang; You, Jingsong","Rhodium-Catalyzed Oxidative Coupling of Benzoic Acids with Terminal Alkynes: An Efficient Access to 3-Ylidenephthalides","Organometallics","2016","35","10","1350","","10.1021/acs.organomet.6b00107","","x-ray","1.54184","CuKα","","0.0817","0.0758","","","0.1957","0.2061","","","","","","1.063","","","","has coordinates","183286","2020-10-21","18:00:00",""
"4086543","12.8061","0.0006","11.8486","0.0005","16.9221","0.0008","90","","90","","90","","2567.7","0.2","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br Co F6 P -","- C10 H9 Br Co F6 P -","- C80 H72 Br8 Co8 F48 P8 -","8","1","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0331","0.0268","","","0.0668","0.07","","","","","","1.036","","","","has coordinates","184942","2020-10-21","18:00:00",""
"4086580","17.6236","0.0015","20.241","0.0017","24.665","0.002","90","","90","","90","","8798.5","1.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H60 Be N2 P2 -","- C51 H60 Be N2 P2 -","- C408 H480 Be8 N16 P16 -","8","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.0776","0.0527","","","0.1399","0.15","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086581","19.0777","0.0016","17.7914","0.0014","20.5506","0.0017","90","","90","","90","","6975.3","1","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Be2 N2 P2 -","- C41 H40 Be2 N2 P2 -","- C328 H320 Be16 N16 P16 -","8","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.121","0.0476","","","0.0976","0.1286","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086643","22.239","0.009","21.009","0.007","25.246","0.008","90","","90","","90","","11795","7","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H41 N2 O0.5 Pd -","- C32 H41 N2 O0.5 Pd -","- C512 H656 N32 O8 Pd16 -","16","2","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.0866","0.054","","","0.1141","0.1305","","","","","","1.037","","","","has coordinates,has disorder","186259","2020-10-21","18:00:00",""
"4086662","20.2137","0.0006","14.9538","0.0004","32.5624","0.0009","90","","90","","90","","9842.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 B2 I2 N8 Th -","- C48 H56 B2 I2 N8 Th -","- C384 H448 B16 I16 N64 Th8 -","8","1","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0545","0.0397","","","0.0916","0.0983","","","","","","1.047","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086708","13.7133","0.0009","22.137","0.003","24.341","0.002","90","","90","","90","","7389.2","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 F3 N7 O5 Pd -","- C34 H38 F3 N7 O5 Pd -","- C272 H304 F24 N56 O40 Pd8 -","8","1","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.0884","0.0642","","","0.1383","0.15","","","","","","1.099","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086729","15.033","0.002","14.892","0.002","25.247","0.004","90","","90","","90","","5652.1","1.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H49 N Zr -","- C31 H49 N Zr -","- C248 H392 N8 Zr8 -","8","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0557","0.0353","","","0.0776","0.0872","","","","","","1.019","","","","has coordinates,has disorder","186947","2020-10-21","18:00:00",""
"4086783","18.121","0.004","14.703","0.003","20.717","0.005","90","","90","","90","","5520","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H23 F6 P -","- C33 H23 F6 P -","- C264 H184 F48 P8 -","8","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.1361","0.0909","","","0.1331","0.1491","","","","","","1.193","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086815","8.30541","0.00006","24.67353","0.00018","38.1106","0.0003","90","","90","","90","","7809.77","0.1","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N Si -","- C26 H21 N Si -","- C416 H336 N16 Si16 -","16","2","","Omann, Lukas; Oestreich, Martin","Catalytic Access to Indole-Fused Benzosiloles by 2-Fold Electrophilic C‒H Silylation with Dihydrosilanes","Organometallics","2016","36","4","767","","10.1021/acs.organomet.6b00801","","x-ray","1.54184","CuKα","","0.0366","0.0325","","","0.0848","0.0884","","","","","","1.029","","","","has coordinates","193613","2020-10-21","18:00:00",""
"4086845","13.3411","0.0002","17.9771","0.0003","19.2094","0.0003","90","","90","","90","","4607.07","0.13","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 B F3 N6 Ni O2 -","- C23 H18 B F3 N6 Ni O2 -","- C184 H144 B8 F24 N48 Ni8 O16 -","8","1","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54184","CuKα","","0.0948","0.0885","","","0.2591","0.2707","","","","","","1.104","","","","has coordinates,has disorder","191365","2020-10-21","18:00:00",""
"4086903","14.2771","0.0004","19.1875","0.0005","20.5221","0.0006","90","","90","","90","","5621.9","0.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H96 Be2 N4 O2 -","- C62 H96 Be2 N4 O2 -","- C248 H384 Be8 N16 O8 -","4","0.5","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0996","0.0571","","","0.1321","0.1607","","","","","","1.027","","","","has coordinates","189915","2020-10-21","18:00:00",""
"4086928","12.3387","0.0011","12.6566","0.0011","22.518","0.002","90","","90","","90","","3516.5","0.5","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","sjfbk56","","","- C16 H21 Cl N2 O4 Si -","- C16 H21 Cl N2 O4 Si -","- C128 H168 Cl8 N16 O32 Si8 -","8","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0839","0.0522","","","0.1257","0.1426","","","","","","1.031","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086979","14.187","0.002","17.603","0.003","18.327","0.003","90","","90","","90","","4576.9","1.3","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21.65 B N6 O1.32 -","- C28 H21.648 B N6 O1.324 -","- C224 H173.184 B8 N48 O10.592 -","8","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0637","0.0593","","","0.1431","0.1463","","","","","","1.153","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4087004","14.6602","0.0004","20.0564","0.0007","21.1865","0.0008","90","","90","","90","","6229.5","0.4","150.05","0.1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 F O P2 Rh -","- C33 H44 F O P2 Rh -","- C264 H352 F8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","x-ray","0.71073","MoKα","","0.1199","0.0532","","","0.0841","0.1084","","","","","","1.027","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087005","14.7544","0.0011","19.8932","0.0016","21.5065","0.0017","90","","90","","90","","6312.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 Cl O P2 Rh -","- C33 H44 Cl O P2 Rh -","- C264 H352 Cl8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0885","0.0479","","","0.081","0.0948","","","","","","1.037","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087152","17.0851","0.0007","18.5952","0.0008","23.7353","0.0011","90","","90","","90","","7540.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H52 P2 Pt Si -","- C42 H52 P2 Pt Si -","- C336 H416 P16 Pt8 Si8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0729","0.0348","","","0.0606","0.0672","","","","","","1.017","","","","has coordinates,has disorder","193345","2020-10-21","18:00:00",""
"4087170","19.31","0.02","17.619","0.014","24.71","0.02","90","","90","","90","","8407","13","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.33 H73.33 B1.33 K1.33 N4 O8 -","- C57.3333 H73.3333 B1.33333 K1.33333 N4 O8 -","- C344 H440 B8 K8 N24 O48 -","6","0.75","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0786","0.0612","","","0.1614","0.1776","","","","","","1.027","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087192","16.6645","0.0011","16.9683","0.0011","20.0404","0.0014","90","","90","","90","","5666.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H38 N4 Ni O2 -","- C33 H38 N4 Ni O2 -","- C264 H304 N32 Ni8 O16 -","8","1","","Henrion, Mickaël; de P. Cardoso, Bernardo; César, Vincent; Chetcuti, Michael J.; Ritleng, Vincent","Nickel(II) Complexes of Highly σ-Donating Cyclic (Alkyl)(Amino)- and Malonate-Carbenes: Syntheses and Catalytic Studies","Organometallics","2017","36","6","1113","","10.1021/acs.organomet.6b00906","","","0.71073","MoKα","","0.0938","0.0406","","","0.0842","0.1006","","","","","","0.999","","","","has coordinates","194656","2020-10-21","18:00:00",""
"4087193","13.48","0.003","7.92","0.0016","29.4","0.006","90","","90","","90","","3138.8","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Cl2 N3 Pd -","- C13 H19 Cl2 N3 Pd -","- C104 H152 Cl16 N24 Pd8 -","8","1","","Astakhov, Alexander V.; Khazipov, Oleg V.; Chernenko, Andrey Yu.; Pasyukov, Dmitry V.; Kashin, Alexey S.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","A New Mode of Operation of Pd-NHC Systems Studied in a Catalytic Mizoroki‒Heck Reaction","Organometallics","2017","36","10","1981","","10.1021/acs.organomet.7b00184","","","0.9699","synchrotron","","0.0834","0.0674","","","0.1442","0.1565","","","","","","1.004","","","","has coordinates","197473","2020-10-21","18:00:00",""
"4087280","11.464","0.002","10.836","0.002","17.821","0.004","90","","90","","90","","2213.8","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cu2 N4 -","- C20 H34 Cu2 N4 -","- C80 H136 Cu8 N16 -","4","0.5","","Beh, Eugene S.; Tong, Liuchuan; Gordon, Roy G.","Synthesis of 5,5-Bicyclic Amidines as Ligands for Thermally Stable Vapor Deposition Precursors","Organometallics","2017","36","8","1453","","10.1021/acs.organomet.6b00954","","","0.71073","MoKα","","0.0424","0.0402","","","0.1059","0.1075","","","","","","1.038","","","","has coordinates","196043","2020-10-21","18:00:00",""
"4087325","15.7561","0.0009","15.8387","0.0009","18.7715","0.001","90","","90","","90","","4684.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl N Ni -","- C24 H38 Cl N Ni -","- C192 H304 Cl8 N8 Ni8 -","8","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0532","0.0353","","","0.0775","0.0869","","","","","","1.038","","","","has coordinates,has disorder","196053","2020-10-21","18:00:00",""
"4087328","12.812","0.004","23.795","0.008","31.24","0.02","90","","90","","90","","9524","8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moris456 (Tapas)","","","- C35 H74 N6 Si6 U -","- C35 H74 N6 Si6 U -","- C280 H592 N48 Si48 U8 -","8","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0538","0.0338","","","0.0802","0.0902","","","","","","1.054","","","","has coordinates","196055","2020-10-21","18:00:00",""
"4087330","12.838","0.005","24.04","0.02","31.291","0.011","90","","90","","90","","9657","9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moris480 (Tapas)","","","- C35 H74 N6 Si6 Th -","- C35 H74 N6 Si6 Th -","- C280 H592 N48 Si48 Th8 -","8","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0604","0.038","","","0.0908","0.1025","","","","","","1.034","","","","has coordinates","196057","2020-10-21","18:00:00",""
"4087348","8.0329","0.0003","19.9615","0.0007","26.0925","0.0009","90","","90","","90","","4183.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 S2 Zr -","- C21 H23 N3 S2 Zr -","- C168 H184 N24 S16 Zr8 -","8","1","","Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.","Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.","Organometallics","2012","31","","7492","7499","10.1021/om300789h","","","0.71073","MoKα","","0.0494","0.0318","","","0.049","0.0499","","","","","","2.099","","","","has coordinates","201975","2020-10-21","18:00:00",""
"4087357","9.5643","0.0014","21.986","0.007","31.851","0.005","90","","90","","90","","6698","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B20 I2 -","- C21 H34 B20 I2 -","- C168 H272 B160 I16 -","8","1","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.08","0.0381","","","0.0621","0.0663","","","","","","0.837","","","","has coordinates,has disorder","236754","2020-10-21","18:00:00",""
"4087453","8.5651","0.0006","17.4019","0.0011","34.669","0.002","90","","90","","90","","5167.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 F3 N2 Se -","- C14 H9 F3 N2 Se -","- C224 H144 F48 N32 Se16 -","16","2","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0859","0.0437","","","0.074","0.088","","","","","","1.025","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087508","15.625","0.002","16.806","0.002","20.814","0.003","90","","90","","90","","5465.6","1.2","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonlm10","(dippe)Pd(SPh)2 / (dippe)Pd(SPh)(C(=O)Ph)","","- C26.88 H40.88 O0.88 P2 Pd S1.12 -","- C26.8833 H40.8833 O0.8833 P2 Pd S1.1167 -","- C215.066 H327.066 O7.0664 P16 Pd8 S8.9336 -","8","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.073","0.0395","","","0.0818","0.0949","","","","","","1.018","","","","has coordinates,has disorder","236824","2020-10-21","18:00:00",""
"4087551","8.7522","0.0003","20.3175","0.0006","33.7301","0.001","90","","90","","90","","5998","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","8","P b c a","-P 2ac 2ab","61","","","","- C23 H36 F3 N Ni O7 P2 S -","- C23 H36 F3 N Ni O7 P2 S -","- C184 H288 F24 N8 Ni8 O56 P16 S8 -","8","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0326","0.0315","","","0.0895","0.0906","","","","","","1.049","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087593","17.341","0.001","10.787","0.001","17.672","0.001","90","","90","","90","","3305.7","0.4","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 Pd -","- C18 H24 N2 Pd -","- C144 H192 N16 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71069","MoKα","","0.0641","0.0427","","","0.0788","0.0906","","","","","","1.112","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087594","11.0329","0.0004","17.2348","0.0011","17.9562","0.001","90","","90","","90","","3414.4","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F2 N2 Pd -","- C18 H22 F2 N2 Pd -","- C144 H176 F16 N16 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71073","MoKα","","0.0839","0.0465","","","0.0751","0.0839","","","","","","1.112","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087607","17.9224","0.001","24.6821","0.0012","31.866","0.0016","90","","90","","90","","14096.3","1.3","90","","90","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65.04 H66.09 B Cl2 F24 Ir N3 O3.02 P -","- C65.036 H66.09 B Cl2 F24 Ir N3 O3.018 P -","- C520.288 H528.72 B8 Cl16 F192 Ir8 N24 O24.144 P8 -","8","1","","Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.","Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]","Organometallics","2015","34","15","3849","","10.1021/acs.organomet.5b00397","","","0.71073","MoKα","","0.0991","0.0499","","","0.0939","0.1113","","","","","","1.028","","","","has coordinates,has disorder","236869","2020-10-21","18:00:00",""
"4087623","16.6453","0.0013","18.6334","0.0015","23.6385","0.0019","90","","90","","90","","7331.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40.5 H52 O2.5 Os P2 -","- C40.5 H52 O2.5 Os P2 -","- C324 H416 O20 Os8 P16 -","8","1","","Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim","C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes","Organometallics","2015","34","20","4908","","10.1021/acs.organomet.5b00416","","","0.71073","MoKα","","0.0853","0.0541","","","0.0831","0.0919","","","","","","1.131","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087629","16.723","0.006","16.459","0.006","21.16","0.007","90","","90","","90","","5824","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Cl N2 O3 Os P2 -","- C24 H49 Cl N2 O3 Os P2 -","- C192 H392 Cl8 N16 O24 Os8 P16 -","8","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.1372","0.0564","","","0.0972","0.1157","","","","","","0.974","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087695","15.5428","0.0016","18.4081","0.0019","23.353","0.002","90","","90","","90","","6681.6","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H35 Co N2 O -","- C45 H35 Co N2 O -","- C360 H280 Co8 N16 O8 -","8","1","","Singh, Jatinder; Deb, Mayukh; Elias, Anil J.","Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides","Organometallics","2015","34","20","4946","","10.1021/acs.organomet.5b00504","","","0.71073","MoKα","","0.0963","0.0866","","","0.1645","0.1687","","","","","","1.348","","","","has coordinates","236924","2020-10-21","18:00:00",""
"4087696","13.4488","0.0009","21.3636","0.0015","24.1495","0.0016","90","","90","","90","","6938.5","0.8","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 B Mo N9 O4 -","- C32 H42 B Mo N9 O4 -","- C256 H336 B8 Mo8 N72 O32 -","8","1","","Myers, Jeffery T.; Shivokevich, Philip J.; Pienkos, Jared A.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Synthesis of 2-Substituted 1,2-Dihydronaphthalenes and 1,2-Dihydroanthracenes Using a Recyclable Molybdenum Dearomatization Agent","Organometallics","2015","34","14","3648","","10.1021/acs.organomet.5b00509","","","0.71073","MoKα","","0.0534","0.0379","","","0.0959","0.1072","","","","","","1.054","","","","has coordinates","236926","2020-10-21","18:00:00",""
"4087831","16.5372","0.0008","17.6547","0.0009","21.0898","0.0011","90","","90","","90","","6157.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H28 F18 Mo N2 O3 -","- C24 H28 F18 Mo N2 O3 -","- C192 H224 F144 Mo8 N16 O24 -","8","1","","Jeong, Hyangsoo; Schrock, Richard R.; Müller, Peter","Synthesis of Molybdenum and Tungsten Alkylidene Complexes that Contain atert-Butylimido Ligand","Organometallics","2015","34","17","4408","","10.1021/acs.organomet.5b00633","","","0.71073","MoKα","","0.0314","0.0249","","","0.0593","0.0627","","","","","","1.038","","","","has coordinates,has disorder","237038","2020-10-21","18:00:00",""
"4087846","11.2159","0.0015","16.256","0.002","19.033","0.002","90","","90","","90","","3470.2","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br Ge N2 S -","- C15 H23 Br Ge N2 S -","- C120 H184 Br8 Ge8 N16 S8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0363","0.0289","","","0.0669","0.0692","","","","","","1.046","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087847","11.2999","0.0015","16.175","0.002","19.365","0.003","90","","90","","90","","3539.5","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br Ge N2 Se -","- C15 H23 Br Ge N2 Se -","- C120 H184 Br8 Ge8 N16 Se8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0348","0.0294","","","0.0722","0.0744","","","","","","1.083","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087918","14.625","0.0002","12.4336","0.0002","32.2369","0.0006","90","","90","","90","","5862","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","DS-84","","- C27 H17 Mo2 N2 O10 P -","- C27 H17 Mo2 N2 O10 P -","- C216 H136 Mo16 N16 O80 P8 -","8","1","","Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel","1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability","Organometallics","2015","34","20","5129","","10.1021/acs.organomet.5b00722","","x-ray","0.71073","MoKα","","0.0563","0.0331","","","0.06","0.0665","","","","","","1.03","","","","has coordinates","237121","2020-10-21","18:00:00",""
"4087925","10.9373","0.0003","16.5377","0.0004","48.5989","0.0012","90","","90","","90","","8790.5","0.4","123","","123","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F18 Fe N14 P3 -","- C29 H39 F18 Fe N14 P3 -","- C232 H312 F144 Fe8 N112 P24 -","8","1","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.068","0.0481","","","0.1103","0.1192","","","","","","1.04","","","","has coordinates,has disorder","237127","2020-10-21","18:00:00",""
"4087952","9.3472","0.0004","19.7677","0.0006","25.5026","0.001","90","","90","","90","","4712.2","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Cl2 Fe N3 O Pt S -","- C19 H31 Cl2 Fe N3 O Pt S -","- C152 H248 Cl16 Fe8 N24 O8 Pt8 S8 -","8","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","MoKα","","0.0619","0.039","","","0.1173","0.1429","","","","","","1.033","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087954","11.8436","0.0003","13.4194","0.0004","28.6467","0.0008","90","","90","","90","","4552.9","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","D30F1","","","- C23 H29 Cl Fe N3 Pt0.5 -","- C23 H29 Cl Fe N3 Pt0.5 -","- C184 H232 Cl8 Fe8 N24 Pt4 -","8","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","","","0.076","0.043","","","0.1249","0.1726","","","","","","1","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087973","20.69","0.002","20.374","0.002","40.538","0.003","90","","90","","90","","17088","3","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C103 H108 Fe2 P4 -","- C103 H108 Fe2 P4 -","- C824 H864 Fe16 P32 -","8","1","","Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes","Organometallics","2015","34","22","5418","","10.1021/acs.organomet.5b00769","","","0.71073","MoKα","","0.1688","0.064","","","0.1128","0.1275","","","","","","0.991","","","","has coordinates,has disorder","237165","2020-10-21","18:00:00",""
"4087981","18.478","0.0003","17.5211","0.0003","29.6613","0.0005","90","","90","","90","","9603","0.3","150","2","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H59 Cr N4 O5 P Si -","- C48 H59 Cr N4 O5 P Si -","- C384 H472 Cr8 N32 O40 P8 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes","Organometallics","2015","34","24","5703","","10.1021/acs.organomet.5b00772","","x-ray","1.54184","CuKα","","0.0804","0.0533","","","0.1267","0.1451","","","","","","1.02","","","","has coordinates","237170","2020-10-21","18:00:00",""
"4087988","9.7033","0.0002","15.36","0.0004","32.1835","0.0006","90","","90","","90","","4796.72","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 B Ir N6 O6 -","- C21 H26 B Ir N6 O6 -","- C168 H208 B8 Ir8 N48 O48 -","8","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0262","0.0199","","","0.0413","0.0428","","","","","","1.033","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4088007","20.1943","0.0015","11.2274","0.0009","22.5064","0.0018","90","","90","","90","","5102.9","0.7","130","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H29 N O5 -","- C32 H29 N O5 -","- C256 H232 N8 O40 -","8","1","","Xiong, Meijun; Yu, Shasha; Xie, Xin; Li, Shi; Liu, Yuanhong","Reactions of Zirconocene‒1-Aza-1,3-diene Complexes with Acyl Cyanides: Substrate-Dependent Synthesis of Acyl- or Non-Acyl-Substituted Pyrroles","Organometallics","2015","34","23","5597","","10.1021/acs.organomet.5b00801","","","0.71073","MoKα","","0.0931","0.0524","","","0.1292","0.1601","","","","","","0.991","","","","has coordinates","237195","2020-10-21","18:00:00",""
"4088014","7.8798","0.0002","14.6553","0.0003","32.3149","0.0007","90","","90","","90","","3731.75","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Cl N6 Rh -","- C19 H22 Cl N6 Rh -","- C152 H176 Cl8 N48 Rh8 -","8","1","","Buck, Dominik M.; Kunz, Doris","Triazine Annelated NHC Featuring Unprecedented Coordination Versatility","Organometallics","2015","34","21","5335","","10.1021/acs.organomet.5b00805","","","0.71073","MoKα","","0.0364","0.0308","","","0.0695","0.0718","","","","","","1.083","","","","has coordinates,has disorder","237210","2020-10-21","18:00:00",""
"4088059","13.0931","0.0001","17.5197","0.0002","19.1187","0.0002","90","","90","","90","","4385.58","0.08","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 Au Cl Ge N2 -","- C19 H32 Au Cl Ge N2 -","- C152 H256 Au8 Cl8 Ge8 N16 -","8","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0301","0.0275","","","0.0713","0.0741","","","","","","1.059","","","","has coordinates","237235","2020-10-21","18:00:00",""
"4088080","17.0888","0.001","14.3626","0.0009","17.989","0.0011","90","","90","","90","","4415.2","0.5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Sm -","- C18 H39 Al2 Sm -","- C144 H312 Al16 Sm8 -","8","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0314","0.0259","","","0.0669","0.0722","","","","","","1.088","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088081","17.1013","0.0007","14.272","0.0006","17.9024","0.0008","90","","90","","90","","4369.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Yb -","- C18 H39 Al2 Yb -","- C144 H312 Al16 Yb8 -","8","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0234","0.0195","","","0.0508","0.0536","","","","","","1.055","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088125","20.0217","0.0008","7.7798","0.0002","24.5606","0.0008","90","","90","","90","","3825.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Chlorido(5,7-dibromo-8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C19 H18 Br2 Cl N O Ru -","- C19 H18 Br2 Cl N O Ru -","- C152 H144 Br16 Cl8 N8 O8 Ru8 -","8","1","","Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents","Organometallics","2015","34","23","5658","","10.1021/acs.organomet.5b00868","","","0.71073","MoKα","","0.147","0.0978","","","0.214","0.2366","","","","","","1.096","","","","has coordinates","237298","2020-10-21","18:00:00",""
"4088157","11.9955","0.0007","19.6035","0.0011","26.1547","0.0015","90","","90","","90","","6150.4","0.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0538","0.0469","","","0.0956","0.0987","","","","","","1.297","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088158","12.0625","0.0004","19.635","0.0007","26.2605","0.0009","90","","90","","90","","6219.7","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0527","0.0384","","","0.0841","0.0925","","","","","","1.109","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088171","12.109","0.0003","23.1668","0.0006","25.8891","0.0007","90","","90","","90","","7262.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H31 Br F4 P2 Pd -","- C42 H31 Br F4 P2 Pd -","- C336 H248 Br8 F32 P16 Pd8 -","8","1","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0554","0.0363","","","","0.1199","","","","","","1.023","","","","has coordinates,has disorder","237332","2020-10-21","18:00:00",""
"4088223","19.0107","0.0006","17.5446","0.0005","21.335","0.0008","90","","90","","90","","7116","0.4","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Co I N2 P3 Si -","- C36 H40 Co I N2 P3 Si -","- C288 H320 Co8 I8 N16 P24 Si8 -","8","1","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","","0.71073","MoKα","","0.0634","0.0367","","","0.0729","0.0797","","","","","","0.91","","","","has coordinates","237394","2020-10-21","18:00:00",""
"4088227","18.9445","0.001","16.9108","0.0009","19.7306","0.001","90","","90","","90","","6321","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H51 N9 U -","- C31 H51 N9 U -","- C248 H408 N72 U8 -","8","1","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0259","0.0187","","","0.0436","0.0464","","","","","","1.02","","","","has coordinates,has disorder","237397","2020-10-21","18:00:00",""
"4088242","16.548","0.003","12.335","0.003","34.058","0.007","90","","90","","90","","6952","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H46 Li Lu O Si2 -","- C36 H46 Li Lu O Si2 -","- C288 H368 Li8 Lu8 O8 Si16 -","8","1","","Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation","Organometallics","2015","35","1","5","","10.1021/acs.organomet.5b00957","","","0.71073","MoKα","","0.0953","0.0799","","","0.1179","0.1238","","","","","","1.262","","","","has coordinates","237406","2020-10-21","18:00:00",""
"4088300","17.211","0.002","12.9088","0.0015","20.443","0.002","90","","90","","90","","4541.9","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl6 N4 Rh -","- C18 H21 Cl6 N4 Rh -","- C144 H168 Cl48 N32 Rh8 -","8","1","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.0482","0.0323","","","0.0849","0.0928","","","","","","1.009","","","","has coordinates","237449","2020-10-21","18:00:00",""
"4088362","14.7025","0.0014","17.8447","0.0018","18.6571","0.0019","90","","90","","90","","4894.9","0.8","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","9 in manuscript","","","- C23 H36 Au Br0.92 Cl0.08 N2 O -","- C23 H36 Au Br0.918 Cl0.082 N2 O -","- C184 H288 Au8 Br7.344 Cl0.656 N16 O8 -","8","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0686","0.0388","","","0.077","0.0863","","","","","","1.066","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088480","15.5289","0.0004","18.4203","0.0006","22.0688","0.0006","90","","90","","90","","6312.7","0.3","150.02","0.1","150.02","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H46 Br2 Fe N2 O -","- C31 H46 Br2 Fe N2 O -","- C248 H368 Br16 Fe8 N16 O8 -","8","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","0.71073","MoKα","","0.0432","0.0307","","","0.0631","0.0677","","","","","","1.041","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088495","24.8105","0.0016","23.1345","0.0015","40.986","0.003","90","","90","","90","","23525","3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H80 F2 Mo2 N4 O2 -","- C64 H80 F2 Mo2 N4 O2 -","- C1024 H1280 F32 Mo32 N64 O32 -","16","2","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.116","0.0582","","","0.1229","0.1477","","","","","","1.018","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088506","17.7331","0.0019","17.5251","0.0019","19.791","0.002","90","","90","","90","","6150.5","1.1","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H34 F6 N2 Rh Sb -","- C31 H34 F6 N2 Rh Sb -","- C248 H272 F48 N16 Rh8 Sb8 -","8","1","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.71075","MoKα","","","0.0618","","","","0.1286","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088514","11.28","0.0005","17.652","0.0008","19.0498","0.0006","90","","90","","90","","3793.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl2 N2 Pd -","- C18 H22 Cl2 N2 Pd -","- C144 H176 Cl16 N16 Pd8 -","8","1","","Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Korvinson, Kirill A.; Novikov, Alexander S.; Balova, Irina A.","Synthesis and Simple Immobilization of Palladium(II) Acyclic Diaminocarbene Complexes on Polystyrene Support as Efficient Catalysts for Sonogashira and Suzuki‒Miyaura Cross-Coupling","Organometallics","2016","35","11","1684","","10.1021/acs.organomet.6b00144","","","0.7107","MoKα","","0.0413","0.0291","","","0.0586","0.0646","","","","","","1.067","","","","has coordinates","237628","2020-10-21","18:00:00",""
"4088529","31.7741","0.0016","20.8238","0.0009","34.6631","0.0017","90","","90","","90","","22935.1","1.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H138 F9 O9 P6 Rh3 S3 -","- C90 H138 F9 O9 P6 Rh3 S3 -","- C720 H1104 F72 O72 P48 Rh24 S24 -","8","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","1.54178","CuKα","","0.133","0.074","","","0.172","0.1973","","","","","","0.888","","","","has coordinates,has disorder","237642","2020-10-21","18:00:00",""
"4088591","19.9247","0.0003","21.0682","0.0003","30.1189","0.0005","90","","90","","90","","12643.2","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65 H74 B Cl F15 Li N2 O4 Pd -","- C61 H66 B Cl F15 Li N2 O3 Pd -","- C488 H528 B8 Cl8 F120 Li8 N16 O24 Pd8 -","8","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","0.71073","MoKα","","0.0734","0.0669","","","0.1305","0.1339","","","","","","1.234","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088629","16.489","0.003","17.02","0.003","19.647","0.004","90","","90","","90","","5513.8","1.8","105","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Br2 Fe N O P2 -","- C29 H29 Br2 Fe N O P2 -","- C232 H232 Br16 Fe8 N8 O8 P16 -","8","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0911","0.0488","","","0.0847","0.0964","","","","","","1.056","","","","has coordinates,has disorder","237726","2020-10-21","18:00:00",""
"4088666","13.387","0.004","20.458","0.005","22.328","0.006","90","","90","","90","","6115","3","140","2","140.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H40 B Gd N2 Si -","- C33 H40 B Gd N2 Si -","- C264 H320 B8 Gd8 N16 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.1266","0.0596","","","0.125","0.1522","","","","","","0.997","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088690","15.9698","0.0013","17.7847","0.0015","21.9529","0.0019","90","","90","","90","","6235","0.9","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonlm36","(dippe)Pd(Ph)(CNBEt3)","","- C27 H52 B N P2 Pd -","- C27 H52 B N P2 Pd -","- C216 H416 B8 N8 P16 Pd8 -","8","1","","Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.","C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand","Organometallics","2016","35","11","2010","","10.1021/acs.organomet.6b00304","","","0.71073","MoKα","","0.0716","0.041","","","0.0854","0.0999","","","","","","1.042","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088715","17.302","0.003","11.7107","0.0018","25.039","0.004","90","","90","","90","","5073.4","1.4","160","","160","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl F6 N3 P Ru -","- C24 H25 Cl F6 N3 P Ru -","- C192 H200 Cl8 F48 N24 P8 Ru8 -","8","1","","Gupta, Suraj K.; Sahoo, Sandeep K.; Choudhury, Joyanta","Dramatic Effect of Ancillary NHC Ligand in the Highly Selective Catalytic Oxidative Carbon‒Carbon Multiple Bond Cleavage","Organometallics","2016","35","15","2462","","10.1021/acs.organomet.6b00337","","","0.71073","MoKα","","0.0285","0.024","","","0.0653","0.0687","","","","","","1.059","","","","has coordinates","237782","2020-10-21","18:00:00",""
"4088716","17.3769","0.0006","11.7733","0.0004","24.4785","0.0008","90","","90","","90","","5007.9","0.3","160","","160","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H24 Cl F6 N4 P Ru -","- C23 H24 Cl F6 N4 P Ru -","- C184 H192 Cl8 F48 N32 P8 Ru8 -","8","1","","Gupta, Suraj K.; Sahoo, Sandeep K.; Choudhury, Joyanta","Dramatic Effect of Ancillary NHC Ligand in the Highly Selective Catalytic Oxidative Carbon‒Carbon Multiple Bond Cleavage","Organometallics","2016","35","15","2462","","10.1021/acs.organomet.6b00337","","","0.71073","MoKα","","0.033","0.0249","","","0.0629","0.0679","","","","","","1.035","","","","has coordinates","237782","2020-10-21","18:00:00",""
"4088804","17.8284","0.0005","14.8154","0.0005","19.7722","0.0007","90","","90","","90","","5222.5","0.3","100","2","100.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 Co N2 P -","- C30 H23 Cl2 Co N2 P -","- C240 H184 Cl16 Co8 N16 P8 -","8","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0553","0.0353","","","0.0753","0.0826","","","","","","1.021","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088838","18.247","0.004","18.899","0.004","23.171","0.005","90","","90","","90","","7991","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H58 Ge O Si8 -","- C29 H58 Ge O Si8 -","- C232 H464 Ge8 O8 Si64 -","8","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.047","0.0372","","","0.0849","0.0885","","","","","","1.09","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088844","17.4219","0.0006","18.2095","0.0006","27.6971","0.0009","90","","90","","90","","8786.7","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Ni(8PCy2NH)(dppe)](BF4)2","","- C43 H57 B2 F8 N Ni P4 -","- C43 H57 B2 F8 N Ni P4 -","- C344 H456 B16 F64 N8 Ni8 P32 -","8","1","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0452","0.0325","","","0.0786","0.0822","","","","","","1.054","","","","has coordinates,has disorder","237853","2020-10-21","18:00:00",""
"4088911","11.8053","0.0015","14.5306","0.0018","29.999","0.004","90","","90","","90","","5146","1.1","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Cr N2 O3 P2 -","- C23 H38 Cr N2 O3 P2 -","- C184 H304 Cr8 N16 O24 P16 -","8","1","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0549","0.0441","","","0.0582","0.0591","","","","3.11","3.11","2.85","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088912","12.0638","0.0012","14.3453","0.0014","30.102","0.003","90","","90","","90","","5209.4","0.9","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Mo N2 O3 P2 -","- C23 H38 Mo N2 O3 P2 -","- C184 H304 Mo8 N16 O24 P16 -","8","1","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0359","0.0283","","","0.0528","0.0542","","","","2.03","2.03","1.94","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088983","9.3658","0.0002","14.7653","0.0003","40.8371","0.0009","90","","90","","90","","5647.3","0.2","100.15","","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H42 I Ir N O6 P -","- C25 H42 I Ir N O6 P -","- C200 H336 I8 Ir8 N8 O48 P8 -","8","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0294","0.0284","","","0.0699","0.0705","","","","","","1.172","","","","has coordinates","237909","2020-10-21","18:00:00",""
"4088985","18.2346","0.0007","17.6765","0.0006","37.7548","0.0014","90","","90","","90","","12169.3","0.8","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H54 B F24 Ir N O7 P -","- C58 H54 B F24 Ir N O7 P -","- C464 H432 B8 F192 Ir8 N8 O56 P8 -","8","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0756","0.048","","","0.0994","0.1097","","","","","","1.07","","","","has coordinates,has disorder","237909","2020-10-21","18:00:00",""
"4088991","13.7415","0.001","22.9967","0.0017","41.383","0.003","90","","90","","90","","13077.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H50 B20 P2 Pd -","- C16 H50 B20 P2 Pd -","- C256 H800 B320 P32 Pd16 -","16","2","","Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent","Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling","Organometallics","2016","35","19","3257","","10.1021/acs.organomet.6b00622","","","0.71073","MoKα","","0.1116","0.0718","","","0.1329","0.1449","","","","","","1.156","","","","has coordinates,has disorder","237916","2020-10-21","18:00:00",""
"4089088","15.435","0.012","25.112","0.019","25.7","0.019","90","","90","","90","","9961","13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C124 H94 Cu2 P8 -","- C124 H94 Cu2 P8 -","- C496 H376 Cu8 P32 -","4","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0754","0.0479","","","0.1129","0.1261","","","","","","1.03","","","","has coordinates,has disorder","237980","2020-10-21","18:00:00",""
"4089091","18.233","0.004","26.789","0.006","27.271","0.006","90","","90","","90","","13320","5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C127 H100 Ag6 Br4 O P8 -","- C127 H100 Ag6 Br4 O P8 -","- C508 H400 Ag24 Br16 O4 P32 -","4","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0664","0.0465","","","0.1296","0.1431","","","","","","1.048","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089096","21.974","0.009","20.503","0.01","26.6","0.011","90","","90","","90","","11984","9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H53 Au Cu F6 O P5 -","- C69 H53 Au Cu F6 O P5 -","- C552 H424 Au8 Cu8 F48 O8 P40 -","8","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0675","0.0437","","","0.0812","0.0892","","","","","","1.029","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089121","14.3961","0.0006","16.8578","0.0008","22.5345","0.001","90","","90","","90","","5468.8","0.4","193","2","193","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 B Cl4 Ga N P -","- C22 H34 B Cl4 Ga N P -","- C176 H272 B8 Cl32 Ga8 N8 P8 -","8","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0461","0.032","","","0.0917","0.1019","","","","","","1.048","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089130","7.5576","0.0004","16.6345","0.0009","32.2137","0.0017","90","","90","","90","","4049.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N O2 W -","- C22 H29 N O2 W -","- C176 H232 N8 O16 W8 -","8","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0482","0.0391","","","0.0679","0.0703","","","","","","1.197","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089147","18.6401","0.0006","17.0928","0.0005","26.7711","0.0008","90","","90","","90","","8529.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4c","","- C45 H53 N3 O3 Ru S3 -","- C45 H53 N3 O3 Ru S3 -","- C360 H424 N24 O24 Ru8 S24 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0318","0.0271","","","0.0686","0.0722","","","","","","1.037","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089151","19.7231","0.0007","16.3731","0.0006","26.6239","0.0009","90","","90","","90","","8597.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4i","","- C40 H43 Cl6 N3 Ru S2 -","- C40 H43 Cl6 N3 Ru S2 -","- C320 H344 Cl48 N24 Ru8 S16 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0546","0.0545","","","0.148","0.1481","","","","","","1.053","","","","has coordinates,has disorder","238010","2020-10-21","18:00:00",""
"4089159","17.8536","0.0006","21.0427","0.0006","21.5515","0.0007","90","","90","","90","","8096.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4r","","- C44 H47 Cl2 N3 Ru S2 -","- C44 H47 Cl2 N3 Ru S2 -","- C352 H376 Cl16 N24 Ru8 S16 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.1043","0.0613","","","0.1489","0.1721","","","","","","1.007","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089308","17.855","0.002","19.375","0.004","17.092","0.004","90","","90","","90","","5913","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3Me2d","","","- C28 H38 B N7 O2 Pd -","- C28 H38 B N7 O2 Pd -","- C224 H304 B8 N56 O16 Pd8 -","8","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.1186","0.0663","","","0.1855","0.2059","","","","","","0.999","","","","has coordinates","244973","2020-10-21","18:00:00",""
"4089314","18.766","0.0009","33.6982","0.0015","11.1454","0.0004","90","","90","","90","","7048.1","0.5","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","compound 1Fe","","","- C31 H46 B Co Fe N6 O4 -","- C31 H46 B Co Fe N6 O4 -","- C248 H368 B8 Co8 Fe8 N48 O32 -","8","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.1282","0.0858","","","0.235","0.2462","","","","","","1.289","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089315","18.9214","0.0012","33.5653","0.0019","11.2002","0.0008","90","","90","","90","","7113.3","0.8","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","compound 1Mn","","","- C31 H46 B Co Mn N6 O4 -","- C31 H46 B Co Mn N6 O4 -","- C248 H368 B8 Co8 Mn8 N48 O32 -","8","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.1391","0.0939","","","0.2475","0.2609","","","","","","1.364","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089330","16.144","0.01","15.353","0.01","16.914","0.011","90","","90","","90","","4192","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N2 O3 Pd -","- C22 H30 N2 O3 Pd -","- C176 H240 N16 O24 Pd8 -","8","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0269","0.0227","","","0.0591","0.0622","","","","","","1.003","","","","has coordinates","243612","2020-10-21","18:00:00",""
"4089350","17.9985","0.0016","20.5761","0.0018","22.744","0.002","90","","90","","90","","8423","1.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holjv64","","","- C42 H62 Li2 N4 O4 -","- C42 H62 Li2 N4 O4 -","- C336 H496 Li16 N32 O32 -","8","1","","Vela, Javier; Zhu, Liwei; Flaschenriem, Christine J.; Brennessel, William W.; Lachicotte, Rene J.; Holland, Patrick L.","Macrocyclic Binucleating β-Diketiminate Ligands and their Lithium, Aluminum, and Zinc Complexes.","Organometallics","2007","26","14","3416","3423","10.1021/om0700258","","","0.71073","MoKα","","0.1971","0.1459","","","0.4443","0.4922","","","","","","1.794","","","","has coordinates,has disorder","243616","2020-10-21","18:00:00",""
"4089364","17.371","0.002","21.4852","0.0019","21.5176","0.0018","90","","90","","90","","8030.8","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H74 B2 Br4.8 Cl7.2 F20 Mg4 O6 -","- C57 H74 B2 Br4.77 Cl7.23 F20 Mg4 O6 -","- C228 H296 B8 Br19.08 Cl28.92 F80 Mg16 O24 -","4","0.5","","Schnurr, Anna; Samigullin, Kamil; Breunig, Jens M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One-Pot Synthesis of [(C6F5)2BH2]−from C6F5MgBr/BH3·SMe2and Its in Situ Transformation to Piers’ Borane","Organometallics","2011","30","10","2838","","10.1021/om200186w","","","0.71073","MoKα","","0.1124","0.0505","","","0.0893","0.1061","","","","","","0.869","","","","has coordinates,has disorder","265217","2021-05-14","09:38:24",""
"4089379","18.52","0.0011","16.6656","0.001","24.7602","0.0015","90","","90","","90","","7642.2","0.8","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","L(tBu)Co(n-hexyl)","","","- C41 H66 Co N2 -","- C41 H66 Co N2 -","- C328 H528 Co8 N16 -","8","1","","Dugan, Thomas R.; Goldberg, Jonathan M.; Brennessel, William W.; Holland, Patrick L.","Low-Coordinate Cobalt Fluoride Complexes: Synthesis, Reactions, and Production from C‒F Activation Reactions","Organometallics","2012","31","4","1349","","10.1021/om200991k","","","0.71073","MoKα","","0.112","0.0546","","","0.1175","0.1433","","","","","","1.007","","","","has coordinates","243624","2020-10-21","18:00:00",""
"4089384","19.3493","0.001","15.3733","0.0007","22.8019","0.0011","90","","90","","90","","6782.7","0.6","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H45 N3 -","- C38 H45 N3 -","- C304 H360 N24 -","8","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.7107","MoKα","","0.0962","0.055","","","0.1267","0.1535","","","","","","1.019","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089412","21.552","0.002","9.2415","0.0009","25.094","0.002","90","","90","","90","","4998","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(cyclooctyne)3Cu][SbF6]","","","- C24 H35 Cu F6 Sb -","- C24 H35 Cu F6 Sb -","- C192 H280 Cu8 F48 Sb8 -","8","1","","Das, Animesh; Dash, Chandrakanta; Celik, Mehmet Ali; Yousufuddin, Muhammed; Frenking, Gernot; Dias, H. V. Rasika","Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends","Organometallics","2013","32","11","3135","","10.1021/om400073a","","","0.71073","MoKα","","0.0979","0.0791","","","0.2015","0.212","","","","","","1.225","","","","has coordinates,has disorder","243635","2020-10-21","18:00:00",""
"4089481","16.842","0.002","14.759","0.003","21.708","0.003","90","","90","","90","","5396","1.5","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Mo O4 P2 -","- C29 H30 Mo O4 P2 -","- C232 H240 Mo8 O32 P16 -","8","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0577","","","","0.119","","","","","","1.278","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089484","18.8623","0.0015","24.459","0.002","25.783","0.002","90","","90","","90","","11895.1","1.6","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","B6 in manuscript","","","- C54 H59 B F24 Ni O2 P2 -","- C54 H59 B F24 Ni O2 P2 -","- C432 H472 B8 F192 Ni8 O16 P16 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.0854","0.0507","","","0.1148","0.1345","","","","","","1.02","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089496","18.8584","0.0003","16.0547","0.0003","20.9696","0.0004","90","","90","","90","","6348.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","in paper 2a","","","- C36 H38 B F3 Ni P2 -","- C36 H38 B F3 Ni P2 -","- C288 H304 B8 F24 Ni8 P16 -","8","1","","Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood","Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes","Organometallics","2013","32","11","3363","","10.1021/om400288u","","","0.71073","MoKα","","0.0784","0.0527","","","0.1086","0.1249","","","","","","1.053","","","","has coordinates","243658","2020-10-21","18:00:00",""
"4089513","7.3069","0.0001","19.8442","0.0003","23.0312","0.0003","90","","90","","90","","3339.51","0.08","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Au N3 O2 -","- C18 H18 Au N3 O2 -","- C144 H144 Au8 N24 O16 -","8","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.0261","0.0167","","","0.0301","0.0322","","","","","","1.031","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089515","9.7218","0.0006","17.9719","0.0011","22.2856","0.0013","90","","90","","90","","3893.7","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Au Cl N3 -","- C21 H23 Au Cl N3 -","- C168 H184 Au8 Cl8 N24 -","8","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.03","0.0157","","","0.0255","0.0272","","","","","","1.02","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089526","10.4303","0.0002","17.7418","0.0002","27.2397","0.0004","90","","90","","90","","5040.77","0.13","123","1","123","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O5 P2 W -","- C22 H32 O5 P2 W -","- C176 H256 O40 P16 W8 -","8","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54184","CuKα","","0.0415","0.0312","","","0.0767","0.0794","","","","","","0.908","","","","has coordinates","243669","2020-10-21","18:00:00",""
"4089557","13.7979","0.0002","10.8846","0.0001","16.5218","0.0002","90","","90","","90","","2481.32","0.05","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N2 O2 Sn2 -","- C18 H36 Cl2 N2 O2 Sn2 -","- C72 H144 Cl8 N8 O8 Sn8 -","4","0.5","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Organic Amides as Suitable Precursors to Stabilize Stannylenes","Organometallics","2013","32","12","3557","","10.1021/om400476c","","","1.5418","CuKα","","0.0928","0.0789","","","0.1895","0.218","","","","","","1.096","","","","has coordinates","243688","2020-10-21","18:00:00",""
"4089600","12.999","0.003","15.004","0.003","23.641","0.005","90","","90","","90","","4610.9","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C15 H33 F3 N O3 P2 Rh S -","- C15 H33 F3 N O3 P2 Rh S -","- C120 H264 F24 N8 O24 P16 Rh8 S8 -","8","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0736","0.0549","","","0.1419","0.1521","","","","","","1.038","","","","has coordinates","243696","2020-10-21","18:00:00",""
"4089613","17.891","0.004","13.435","0.004","27.024","0.01","90","","90","","90","","6496","3","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Cl2 N2 O2 P2 Pt -","- C36 H34 Cl2 N2 O2 P2 Pt -","- C288 H272 Cl16 N16 O16 P16 Pt8 -","8","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.086","0.0432","","","0.0747","0.0864","","","","","","1.026","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089614","17.917","0.008","13.679","0.005","27.254","0.008","90","","90","","90","","6680","4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H40 N2 O2 P2 Pt -","- C38 H40 N2 O2 P2 Pt -","- C304 H320 N16 O16 P16 Pt8 -","8","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0911","0.0435","","","0.0741","0.0874","","","","","","1.02","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089629","9.8639","0.0001","8.6409","0.0001","19.7464","0.0002","90","","90","","90","","1683.04","0.03","193","1","193","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","","0.71073","MoKα","","0.0329","0.0298","","","0.0784","0.0819","","","","","","1.048","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089639","18.3","0.007","15.977","0.006","20.88","0.008","90","","90","","90","","6105","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br N2 O Pd -","- C15 H17 Br N2 O Pd -","- C240 H272 Br16 N32 O16 Pd16 -","16","2","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0568","0.0379","","","0.0888","0.0992","","","","","","1.049","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089660","8.867","0.0004","17.2094","0.0006","23.0269","0.0008","90","","90","","90","","3513.8","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N2 O2 Rh -","- C18 H24 Cl N2 O2 Rh -","- C144 H192 Cl8 N16 O16 Rh8 -","8","1","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0679","0.0543","","","0.135","0.1419","","","","","","1.104","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4089690","8.306","0.003","22.618","0.008","34.932","0.012","90","","90","","90","","6563","4","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H32 O4 Si4 -","- C38 H32 O4 Si4 -","- C304 H256 O32 Si32 -","8","1","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","","0.71073","MoKα","","0.0444","0.0354","","","0.0887","0.0939","","","","","","1.069","","","","has coordinates","243722","2020-10-21","18:00:00",""
"4100040","13.91","0.0003","19.228","0.0005","23.515","0.0007","90","","90","","90","","6289.4","0.3","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F6 K O8 -","- C29 H31 F6 K O8 -","- C232 H248 F48 K8 O64 -","8","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218965","2020-10-21","18:00:00",""
"4100186","13.8174","0.0016","20.133","0.005","20.818","0.002","90","","90","","90","","5791.3","1.7","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H26 O2 Ru -","- C37 H26 O2 Ru -","- C296 H208 O16 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100283","11.5856","0.0005","18.9039","0.001","34.762","0.0016","90","","90","","90","","7613.3","0.6","117","1","117","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl2 Fe N3 O2 -","- C40 H51 Cl2 Fe N3 O2 -","- C320 H408 Cl16 Fe8 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100295","13.283","0.003","12.833","0.003","22.746","0.005","90","0.005","90","0.005","90","0.005","3877.3","1.5","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H50 P4 Ru -","- C40 H50 P4 Ru -","- C160 H200 P16 Ru4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100339","18.804","0.003","8.874","0.001","24.37","0.004","89","","89","","90","","4066.7","1.2","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl N2 Pd -","- C20 H31 Cl N2 Pd -","- C160 H248 Cl8 N16 Pd8 -","8","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100340","20.739","0.003","22.011","0.003","28.091","0.004","90","","90","","90","","12822.9","3.5","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl3 N2 Pd -","- C33 H38.5 Cl3 N2 Pd -","- C528 H616 Cl48 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100366","18.149","0.004","20.315","0.004","27.882","0.006","90","","90","","90","","10280","4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H96 N16 -","- C48 H96 N16 -","- C384 H768 N128 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100368","15.3043","0.0004","25.3617","0.0007","27.7091","0.0008","90","","90","","90","","10755.1","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","germane","","","- C30 H40 Ge -","- C30 H40 Ge -","- C480 H640 Ge16 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100487","14.5986","0.0016","20.862","0.002","28.726","0.003","90","","90","","90","","8748.7","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cu2 N11 O15 P -","- C39 H46 Cu2 N11 O15 P -","- C312 H368 Cu16 N88 O120 P8 -","8","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100494","15.8683","0.001","11.002","0.002","26.673","0.003","90","","90","","90","","4656.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 O P -","- C32 H23 O P -","- C256 H184 O8 P8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100538","12.524","0.0019","15.788","0.002","30.928","0.005","90","","90","","90","","6115.4","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H51 N O2 P2 Ru Si2 -","- C24 H51 N O2 P2 Ru Si2 -","- C192 H408 N8 O16 P16 Ru8 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052973a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100618","10.4744","0.0006","23.1133","0.0011","30.5198","0.0017","90","","90","","90","","7388.8","0.7","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 N O5 P2 Ru2 -","- C40 H29 N O5 P2 Ru2 -","- C320 H232 N8 O40 P16 Ru16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100655","16.947","0.002","16.975","0.002","20.846","0.003","90","","90","","90","","5996.7","1.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H70 Cl4 Cu4 Fe4 P4 S6 -","- C36.94 H70 Cl4 Cu4 Fe4 P4 S6 -","- C147.76 H280 Cl16 Cu16 Fe16 P16 S24 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100658","21.5707","0.0015","21.4607","0.0015","23.8297","0.0017","90","","90","","90","","11031.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{(PNP)cu}2","","","- C56 H88 Cu2 N2 P4 -","- C56 H88 Cu2 N2 P4 -","- C448 H704 Cu16 N16 P32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043092r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100693","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4723","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100736","17.998","0.003","13.063","0.002","18.084","0.003","90","","90","","90","","4251.7","1.1","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl6 O3 Sb -","- C14 H19 Cl6 O3 Sb -","- C112 H152 Cl48 O24 Sb8 -","8","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100741","17.422","0.003","17.076","0.002","15.536","0.002","90","","90","","90","","4622.2","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O4 Si4 -","- C38 H70 Mg2 N2 O4 Si4 -","- C152 H280 Mg8 N8 O16 Si16 -","4","0.5","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100751","17.318","0.001","8.644","0.0006","33.192","0.002","89","","89","","90","","4968","1","123.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F5 N2 Zr -","- C29 H33 F5 N2 Zr -","- C232 H264 F40 N16 Zr8 -","8","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100772","17.2967","0.0002","21.7453","0.0002","26.3952","0.0003","90","","90","","90","","9927.81","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H146 N2 O10 P8 Pt4 -","- C90 H146 N2 O10 P8 Pt4 -","- C360 H584 N8 O40 P32 Pt16 -","4","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100817","10.4208","0.0001","15.3407","0.0002","19.1777","0.0003","90","","90","","90","","3065.79","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100818","10.4213","0.0001","15.3544","0.0002","19.2246","0.0003","90","","90","","90","","3076.18","0.07","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100819","10.4219","0.0001","15.3837","0.0002","19.3309","0.0003","90","","90","","90","","3099.27","0.07","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100820","10.4126","0.0002","15.4723","0.0002","19.6515","0.0004","90","","90","","90","","3165.99","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100970","17.097","0.002","9.395","0.0013","18.607","0.003","90","","90","","90","","2988.9","0.7","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N2 -","- C15 H19 Cl N2 -","- C120 H152 Cl8 N16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100992","10.433","0.002","14.876","0.003","23.811","0.004","90","","90","","90","","3695.6","1.2","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Rh -","- C20 H31 Rh -","- C160 H248 Rh8 -","8","1","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101127","9.047","0.0005","21.1758","0.0006","13.6531","0.0009","90","","90","","90","","2615.6","0.2","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101138","18.9792","0.0004","9.7445","0.0002","35.3217","0.0007","90","","90","","90","","6532.5","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C258 H368 Al8 Br8 Cl4 N16 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101141","22.612","0.0003","22.858","0.0003","26.785","0.0004","90","","90","","90","","13844.2","0.3","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76.99 H81.7 Al Br N2 O4 P2 -","- C77.215 H81.96 Al Br N2 O4 P2 -","- C617.72 H655.68 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101179","17.091","0.002","16.383","0.0019","22.603","0.003","90","","90","","90","","6328.8","1.3","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl2 N2 Pt -","- C33 H36 Cl2 N2 Pt -","- C264 H288 Cl16 N16 Pt8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101189","13.135","0.003","17.211","0.003","20.129","0.004","90","","90","","90","","4550.6","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl N O4 -","- C27 H26 Cl N O4 -","- C216 H208 Cl8 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602997","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101224","12.8791","0.0015","16.3859","0.0016","19.941","0.002","90","","90","","90","","4208.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O7 -","- C22 H20 Br N O7 -","- C176 H160 Br8 N8 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101234","16.0464","0.0019","9.5126","0.0012","29.522","0.004","90","","90","","90","","4506.3","1","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(NpH)Mo(PMe3)3","","","- C19 H35 Mo P3 -","- C19 H35 Mo P3 -","- C152 H280 Mo8 P24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101437","13.6546","0.001","12.7382","0.0009","19.7605","0.0014","90","","90","","90","","3437","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0727","0.0548","","","0.136","0.1464","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101454","12.4353","0.0019","17.434","0.003","17.516","0.003","90","","90","","90","","3797.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 B11 Br6 -","- C5 H11 B11 Br6 -","- C40 H88 B88 Br48 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1172","0.0624","","","0.1562","0.205","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101457","11.7337","0.0006","24.0688","0.0011","24.6327","0.0012","90","","90","","90","","6956.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H51 B11 Na2 O4 -","- C26 H51 B11 Na2 O4 -","- C208 H408 B88 Na16 O32 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1629","0.0804","","","0.2211","0.2975","","","","","","1.062","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4101483","13.2654","0.0002","13.3187","0.0002","19.3102","0.0004","90","","90","","90","","3411.69","0.1","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0622","0.0471","","","0.128","0.1362","","","","","","0.982","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101497","10.516","0.002","9.554","0.0019","16.67","0.003","90","","90","","90","","1674.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.067","0.0323","","","0.0634","0.0663","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101535","19.8805","0.001","11.7498","0.0006","31.4557","0.0015","90","","90","","90","","7347.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N2 O10 S4 -","- C36 H36 N2 O10 S4 -","- C288 H288 N16 O80 S32 -","8","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1384","0.0572","","","0.1135","0.1217","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101543","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi","Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.","Journal of the American Chemical Society","2006","128","27","8710","8711","10.1021/ja062166r","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101587","11.0895","0.0003","15.69","0.0005","30.3155","0.001","90","","90","","90","","5274.7","0.3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GRF003","GRF003","","- C24 H48 O3 P2 Pd -","- C24 H48 O3 P2 Pd -","- C192 H384 O24 P16 Pd8 -","8","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.123","0.0537","","","0.1305","0.1602","","","","","","0.967","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101600","21.049","0.005","14.373","0.005","22.479","0.005","90","","90","","90","","6801","3","93","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Mo O2 Rh2 S4 -","- C34 H38 Mo O2 Rh2 S4 -","- C272 H304 Mo8 O16 Rh16 S32 -","8","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Sugimoto, Manabu; Tsuneyuki, Shinji; Miyashita, Seiji; Kato, Tatsuhisa; Nishihara, Hiroshi","Two-Electron Reduction of a Rh-Mo-Rh Dithiolato Complex To Form a Triplet Ground State Associated with a Change in CO Coordination Mode","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1388","","10.1021/ja8090577","","","0.71069","MoKα","","","0.0354","","","","0.071","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101662","22.958","0.002","7.2742","0.0007","18.915","0.002","90","0.005","90","0.005","90","0.005","3158.8","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C120 H136 Br8 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.1162","0.0599","","","0.1123","0.1319","","","","","","1.063","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101731","9.7235","0.0002","9.7323","0.0002","20.421","0.0005","90","","90","","90","","1932.48","0.07","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 Eu O10 P2 -","- C2 H11 Eu O10 P2 -","- C16 H88 Eu8 O80 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.024","0.0168","","","0.0397","0.0438","","","","","","1.132","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101732","9.774","0.005","20.406","0.009","9.805","0.005","90","","90","","90","","1955.6","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C2 H8 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C2 H4 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C16 H32 Ge0.8 Na7.2 Nd7.2 O72 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0904","0.0457","","","0.0925","0.0983","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101745","14.872","0.003","13.467","0.003","22.558","0.005","90","","90","","90","","4517.9","1.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","frowh01","","","- C23 H38 O4 Si -","- C23 H38 O4 Si -","- C184 H304 O32 Si8 -","8","1","","He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.","Total Synthesis of (±)-Merrilactone A","Journal of the American Chemical Society","2008","130","1","300","308","10.1021/ja0761986","","","0.71073","MoKα","","0.0624","0.0497","","","0.137","0.1447","","","","","","1.055","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101853","16.4397","0.0015","7.3508","0.0006","18.6167","0.0016","90","","90","","90","","2249.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0452","0.0355","","","0.0797","0.0838","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101877","15.334","0.004","8.573","0.003","24.431","0.007","90","","90","","90","","3211.7","1.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meso-1,1'-(ditertbutylethylenyl)ferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C160 H224 Fe8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0494","0.0334","","","0.1001","0.1426","","","","","","1.34","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101880","15.377","0.0004","8.678","0.0002","24.7818","0.0006","90","","90","","90","","3306.92","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C160 H224 Ru8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0308","0.0246","","","0.0658","0.0696","","","","","","1.143","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101896","10.5382","0.001","20.0664","0.0015","31.987","0.003","90","","90","","90","","6764.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Al2 Cl6 O2 P -","- C28 H33 Al2 Cl6 O2 P -","- C224 H264 Al16 Cl48 O16 P8 -","8","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.2184","0.1023","","","0.2189","0.2715","","","","","","1.018","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101899","9.1227","0.0011","18.873","0.002","20.343","0.002","90","","90","","90","","3502.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Chang Ho Oh; Swastik Karmakar; HyoSeung Park; YoungCheon Ahn; Jung Wook Kim","Domino Process in Silver-Catalyzed Reactions of N-Arylformimidates and Active Methylene Compounds Involving Cycloisomerization and 1,3-Alkenyl Shift","Journal of the American Chemical Society","2010","132","","1792","1793","10.1021/ja9106226","","","0.71073","MoKα","","0.1149","0.0565","","","0.1012","0.1282","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102089","18.934","0.004","27.616","0.006","20.473","0.005","90","","90","","90","","10705","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H66 Cl4 N4 Pd -","- C58 H66 Cl4 N4 Pd -","- C464 H528 Cl32 N32 Pd8 -","8","1","","Yasunao Miyamura; Kazushi Kinbara; Yohei Yamamoto; Vakayil K. Praveen; Kenichi Kato; Masaki Takata; Atsushi Takano; Yushu Matsushita; Eunji Lee; Myongsoo Lee; Takuzo Aida","Shape-Directed Assembly of a ""Macromolecular Barb"" into Nanofibers: Stereospecific Cyclopolymerization of Isopropylidene Diallylmalonate","Journal of the American Chemical Society","2010","132","","3292","3294","10.1021/ja910901e","","","0.7107","MoKα","","0.0742","0.0642","","","0.1104","0.1134","","","","","","1.295","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102133","21.305","0.0004","11.085","0.0002","39.1021","0.0007","90","","90","","90","","9234.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Et4N)[ReVII(O)2(apPh)2]","","","- C48 H70 N3 O4 Re -","- C48 H70 N3 O4 Re -","- C384 H560 N24 O32 Re8 -","8","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","1.54178","CuKα","","0.0367","0.027","","","0.0609","0.0645","","","","","","1.022","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102242","19.5887","0.0005","16.5221","0.0004","19.8902","0.0005","90","","90","","90","","6437.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3 O4 P2 -","- C36 H30 Fe0.5 N3 O4 P2 -","- C288 H240 Fe4 N24 O32 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0938","0.0823","","","0.2351","0.2455","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102243","19.6091","0.0016","16.4478","0.0014","19.8447","0.0016","90","","90","","90","","6400.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C288 H240 Fe4 N28 O36 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0998","0.0796","","","0.185","0.2003","","","","","","1.17","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102249","26.267","0.009","9.004","0.003","26.253","0.009","90","","90","","90","","6209","4","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H39 Cl2 N O2 S2 Zn -","- C31 H39 Cl2 N O2 S2 Zn -","- C248 H312 Cl16 N8 O16 S16 Zn8 -","8","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.1616","0.1293","","","0.3075","0.3398","","","","","","1.107","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102282","17.9666","0.001","17.1784","0.001","22.5151","0.0013","90","","90","","90","","6949","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Cl3 In P2 -","- C36 H30 Cl3 In P2 -","- C288 H240 Cl24 In8 P16 -","8","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0358","0.0289","","","0.0703","0.0755","","","","","","1.068","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102319","35.413","0.003","22.233","0.003","19.854","0.005","90","","90","","90","","15632","5","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H89 Cs N5 O12 -","- C76 H80 Cs N5 O9 -","- C608 H640 Cs8 N40 O72 -","8","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71069","MoKα","","0.3155","0.103","","","0.1654","0.1939","","","","","","1.129","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102364","19.191","0.003","8.4088","0.001","29.802","0.004","90","","90","","90","","4809.2","1.1","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl2 Cr N6 -","- C18 H38 Cl2 Cr N6 -","- C144 H304 Cl16 Cr8 N48 -","8","1","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","An ""End-On"" Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C-H Bond Activation of Hydrocarbons","Journal of the American Chemical Society","2010","132","","5958","5959","10.1021/ja1015926","","","0.71073","MoKα","","0.1182","0.0781","","","0.2209","0.2367","","","","","","1.182","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102384","19.6843","0.0007","17.8444","0.0005","25.7736","0.0009","90","","90","","90","","9053.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O2 -","- C28 H24 F3 N O2 -","- C448 H384 F48 N16 O32 -","16","2","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.082","0.047","","","0.1039","0.1205","","","","","","1.094","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102388","19.639","0.009","17.258","0.01","40.11","0.02","90","","90","","90","","13594","12","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C120 Cl12 -","- C120 Cl12 -","- C960 Cl96 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.71073","MoKα","","0.0991","0.0845","","","0.2139","0.2295","","","","","","1.099","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102404","12.485","0.002","10.875","0.001","22.266","0.001","90","","90","","90","","3023.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Mo3 O12 Rb4 Zn -","- Mo3 O12 Rb4 Zn -","- Mo24 O96 Rb32 Zn8 -","8","1","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0873","0.0456","","","0.0919","0.1062","","","","","","1.032","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102488","14.4572","0.0006","8.1856","0.0003","24.7724","0.0012","90","","90","","90","","2931.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.1099","0.0579","","","0.1458","0.1852","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102491","13.8529","0.0007","13.5891","0.0007","30.6143","0.0017","90","","90","","90","","5763.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H38 Cl F6 N5 P Pd -","- C25 H38 Cl F6 N5 P Pd -","- C200 H304 Cl8 F48 N40 P8 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0368","0.0266","","","0.0586","0.0639","","","","","","1.075","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102493","13.8149","0.0012","13.4404","0.0011","29.924","0.003","90","","90","","90","","5556.2","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H41 Cl N5 O4 Pd -","- C26 H41 Cl N5 O4 Pd -","- C208 H328 Cl8 N40 O32 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0258","0.023","","","0.0535","0.0548","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102500","11.5057","0.0005","8.482","0.0005","19.2656","0.0012","90","","90","","90","","1880.16","0.18","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C88 H96 N16 -","8","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0738","0.043","","","0.1048","0.1225","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102543","14.37","0.0008","16.818","0.001","18.917","0.0011","90","","90","","90","","4571.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","JK_011","","","- C21 H36 Cl2 Ir N2 P -","- C21 H36 Cl2 Ir N2 P -","- C168 H288 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0216","0.0194","","","0.0466","0.0478","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102570","19.844","0.0002","18.8816","0.0001","30.8966","0.0003","90","","90","","90","","11576.5","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H108 B2 Li2 O2 -","- C64 H108 B2 Li2 O2 -","- C512 H864 B16 Li16 O16 -","8","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","A Stable Doubly Hydrogen-Bridged Butterfly-Shaped Diborane(4) Compound","Journal of the American Chemical Society","2010","132","","8258","8260","10.1021/ja102913g","","","0.8","synchrotron","","0.1046","0.0527","","","0.1302","0.1562","","","","","","0.911","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102605","20.708","0.01","7.698","0.004","25.356","0.012","90","","90","","90","","4042","3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Diacetoxy-8,9-dibromo-5,12-dihydro-5,12-methanotetracene","","- C23 H16 Br2 O4 -","- C23 H16 Br2 O4 -","- C184 H128 Br16 O32 -","8","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1178","0.0376","","","0.0758","0.1008","","","","","","0.992","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102648","27.4021","0.0004","17.3999","0.0002","27.9819","0.0004","90","","90","","90","","13341.6","0.3","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H77 N Ni O P3 S3 Si3 -","- C68 H77 N Ni O P3 S3 Si3 -","- C544 H616 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.1212","0.0516","","","0.1205","0.14","","","","","","1.066","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102649","27.4736","0.0005","17.4627","0.0003","27.9844","0.0005","90","","90","","90","","13425.9","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C69 H79 N Ni O P3 S3 Si3 -","- C69 H79 N Ni O P3 S3 Si3 -","- C552 H632 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.0864","0.0506","","","0.1384","0.1574","","","","","","1.038","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102713","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102783","8.5116","0.0017","26.887","0.005","41.174","0.008","90","","90","","90","","9423","3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C54 H66 Si5 -","- C54 H66 Si5 -","- C432 H528 Si40 -","8","1","","Dominik Nied; Ralf Köppe; Wim Klopper; Hansgeorg Schnöckel; Frank Breher","Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon-Silicon Bond in a Nonclassical Molecule","Journal of the American Chemical Society","2010","132","","10264","10265","10.1021/ja104810u","","","0.71073","MoKα","","0.1069","0.098","","","0.1776","0.1813","","","","","","1.38","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102787","10.8603","0.0004","18.963","0.0007","25.9552","0.001","90","","90","","90","","5345.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H62 N8 O8 -","- C62 H62 N8 O8 -","- C248 H248 N32 O32 -","4","0.5","","José Berná; Mateo Alajarín; Raúl-Angel Orenes","Azodicarboxamides as Template Binding Motifs for the Building of Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2010","132","","10741","10747","10.1021/ja101151t","","","0.71073","MoKα","","0.1068","0.0871","","","0.1583","0.1659","","","","","","1.239","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102789","19.2068","0.0004","14.9867","0.0003","28.4503","0.0005","90","","90","","90","","8189.3","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 N P Pt -","- C41 H52 N P Pt -","- C328 H416 N8 P8 Pt8 -","8","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.1291","0.0683","","","0.1486","0.1644","","","","","","1.023","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102856","16.6571","0.0015","10.4157","0.0009","19.8332","0.0018","90","","90","","90","","3441","0.5","125","2","125","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0635","0.0482","","","0.1174","0.1254","","","","","","1.111","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102861","19.342","0.001","17.36","0.001","12.514","0.001","90","","90","","90","","4201.9","0.5","50","","50","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.61792","synchrotron","","0.0667","0.0411","","","0.0937","0.114","","","","","","1.026","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102862","20.012","0.001","17.27","0.001","12.711","0.001","90","","90","","90","","4393","0.5","300","","300","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.6869","synchrotron","","0.0716","0.0565","","","0.1527","0.1696","","","","","","1.087","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102863","19.771","0.015","17.178","0.015","12.672","0.011","90","","90","","90","","4304","6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H52 Cl2 Cu2 N8 O12 -","- C36 H52 Cl2 Cu2 N8 O12 -","- C144 H208 Cl8 Cu8 N32 O48 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.71073","MoKα","","","0.0308","","","","0.0388","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102866","11.3882","0.0003","10.7673","0.0004","20.474","0.0008","90","","90","","90","","2510.53","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-dehydroxy-5,5-dimethyloxyluciferin","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0908","0.0447","","","0.0949","0.1089","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102944","17.5546","0.0006","16.563","0.0007","21.3249","0.0008","90","","90","","90","","6200.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H53 Ir N2 P2 -","- C29 H53 Ir N2 P2 -","- C232 H424 Ir8 N16 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.1408","0.0484","","","0.0647","0.0847","","","","","","0.926","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102947","9.349","0.005","8.209","0.005","17.192","0.01","90","","90","","90","","1319.4","1.3","120","1","120","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 K N -","- B H5 K N -","- B16 H80 K16 N16 -","16","2","","Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards","Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release","Journal of the American Chemical Society","2010","132","","11836","11837","10.1021/ja100167z","","","0.71073","MoKα","","0.0764","0.0439","","","0.1405","0.1845","","","","","","0.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102951","9.151","0.004","20.914","0.01","23.367","0.018","90","","90","","90","","4472","5","93.1","","93.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl4 O12 Ru2 -","- C44 H48 Cl4 O12 Ru2 -","- C176 H192 Cl16 O48 Ru8 -","4","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.7107","MoKα","","","0.04","","","","0.0938","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103005","15.893","0.003","13.864","0.002","19.718","0.003","90","","90","","90","","4344.7","1.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonmg15","","","- C19 H35 N Ni P2 S -","- C19 H35 N Ni P2 S -","- C152 H280 N8 Ni8 P16 S8 -","8","1","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1014","0.0483","","","0.0875","0.1056","","","","","","1.015","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103051","20.1276","0.0002","20.3135","0.0002","20.7405","0.0002","90","","90","","90","","8480","0.14","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H20 B Cu F20 N4 -","- C46 H20 B Cu F20 N4 -","- C368 H160 B8 Cu8 F160 N32 -","8","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.066","0.04","","","0.0859","0.106","","","","","","1.135","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103132","14.6255","0.0012","16.4744","0.0016","20.2803","0.0018","90","","90","","90","","4886.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H19 B F10 N2 -","- C25 H19 B F10 N2 -","- C200 H152 B8 F80 N16 -","8","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0614","0.0374","","","0.0761","0.0875","","","","","","0.966","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103163","7.52136","0.00006","14.49051","0.00013","39.6415","0.0003","90","","90","","90","","4320.46","0.06","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C224 H208 O32 -","8","1","","Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley","ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","13848","13857","10.1021/ja106050s","","","1.5418","CuKα","","0.0362","0.0341","","","0.0869","0.0886","","","","","","1.025","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103196","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103272","12.3815","0.0009","14.8062","0.001","28.388","0.002","90","","90","","90","","5204.2","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","pentanitromethane nitrosyl copper (II) hexafluorophosphate","","- C6 H18 Cu F12 N7 O13 P2 -","- C6 H18 Cu F12 N7 O13 P2 -","- C48 H144 Cu8 F96 N56 O104 P16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.1014","0.0515","","","0.1281","0.1582","","","","","","0.988","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103312","13.43","0.002","20.533","0.003","34.121","0.005","90","","90","","90","","9409","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 B Li N4 -","- C46 H74 B Li N4 -","- C368 H592 B8 Li8 N32 -","8","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.2127","0.0703","","","0.1504","0.2086","","","","","","1.001","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103421","29.828","0.0009","27.8513","0.0006","32.3305","0.001","90","","90","","90","","26858.5","1.3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C107 H192 Cr7 F8 Fe N O35 -","- C107 H192.001 Cr7.04 F8 Fe1.04 N O35 -","- C856.004 H1536.01 Cr56.32 F64 Fe8.32 N8 O280 -","8","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2407","0.1114","","","0.1927","0.244","","","","","","1.228","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103429","70.178","0.004","31.5931","0.0018","31.206","0.002","90","","90","","90","","69188","7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C133 H235 Co Cr7 F8 N2 O38 -","- C133 H235 Co1.04 Cr7.04 F8 N2 O38 -","- C2128 H3760 Co16.64 Cr112.64 F128 N32 O608 -","16","2","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","","0.71073","MoKα","","0.2248","0.1447","","","0.348","0.4002","","","","","","1.261","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103430","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103432","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103482","18.2696","0.0016","17.3678","0.0015","26.635","0.002","90","","90","","90","","8451.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","EuPytc3Bipy","","","- C28 H35 Cl9 Eu N5 S6 -","- C28 H35 Cl9 Eu N5 S6 -","- C224 H280 Cl72 Eu8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0626","0.0363","","","0.0903","0.1093","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103485","18.2665","0.0013","17.3854","0.0012","26.6725","0.0019","90","","90","","90","","8470.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","GdPytc3Bipy","","- C28 H35 Cl9 Gd N5 S6 -","- C28 H35 Cl9 Gd N5 S6 -","- C224 H280 Cl72 Gd8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0357","0.0264","","","0.0642","0.0749","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103525","15.631","0.004","12.413","0.003","18.049","0.004","90","","90","","90","","3502","1.5","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonme10","","","- C15 H26 Br N P Rh -","- C15 H26 Br N P Rh -","- C120 H208 Br8 N8 P8 Rh8 -","8","1","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.1083","0.0507","","","0.0984","0.1154","","","","","","1.046","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103543","20.9533","0.001","23.2733","0.0011","54.433","0.003","90","","90","","90","","26544","2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H50 Cl4 F6 Ir2 O9 P4 S2 -","- C56.5 H47 Cl F6 Ir2 O9 P4 S2 -","- C904 H752 Cl16 F96 Ir32 O144 P64 S32 -","16","2","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.0893","0.058","","","0.1075","0.1165","","","","","","1.088","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103566","9.7581","0.0016","19.351","0.003","19.541","0.003","90","","90","","90","","3689.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C152 H240 O32 -","8","1","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.0757","0.0581","","","0.1438","0.1524","","","","","","1.053","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103580","15.6441","0.0009","12.0357","0.0007","19.9182","0.0012","90","","90","","90","","3750.4","0.4","153","2","153","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O4 Pd -","- C16 H26 N2 O4 Pd -","- C128 H208 N16 O32 Pd8 -","8","1","","Peter Hauwert; Romilda Boerleider; Stefan Warsink; Jan J. Weigand; Cornelis J. Elsevier","Mechanism of Pd(NHC)-Catalyzed Transfer Hydrogenation of Alkynes","Journal of the American Chemical Society","2010","132","","16900","16910","10.1021/ja1062407","","","0.71073","MoKα","","0.0312","0.0224","","","0.0506","0.0544","","","","","","1.024","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103590","10.922","0.002","15.497","0.003","21.965","0.004","90","","90","","90","","3717.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C168 H192 O48 -","8","1","","Jianxian Gong; Guang Lin; Wenbo Sun; Chuang-Chuang Li; Zhen Yang","Total Synthesis of (\±) Maoecrystal V","Journal of the American Chemical Society","2010","132","","16745","16746","10.1021/ja108907x","","","0.71073","MoKα","","0.0966","0.0396","","","0.0649","0.0854","","","","","","0.779","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103602","9.3989","0.0004","7.9263","0.0003","15.2618","0.0006","90","","90","","90","","1136.98","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ANTX","ammonium 5-nitro-2H-tetrazol-2-olate","","- C H4 N6 O3 -","- C H4 N6 O3 -","- C8 H32 N48 O24 -","8","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0336","0.0259","","","0.0638","0.0659","","","","","","0.958","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103655","15.924","0.002","16.524","0.003","20.318","0.003","90","","90","","90","","5346.2","1.4","125.2","","125.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H40 N2 Yb -","- C31 H40 N2 Yb -","- C248 H320 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.7107","MoKα","","0.0883","0.037","","0.0488","","0.0395","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103657","18.0976","0.0018","15.994","0.0016","19.676","0.002","90","","90","","90","","5695.3","1","156","2","156","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyb5dmb","cyb5","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.0392","0.0266","","","0.0574","0.0628","","","","","","1.016","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103658","23.847","0.002","15.177","0.0015","31.291","0.003","90","","90","","90","","11325","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C34 H41.5 N2 Yb -","- C544 H664 N32 Yb16 -","16","2","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.118","0.0507","","","0.1002","0.1205","","","","","","0.98","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103715","14.9355","0.0013","14.682","0.003","24.174","0.002","90","","90","","90","","5300.9","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Br2 O2 Si4 Zr -","- C18 H30 Br2 O2 Si4 Zr -","- C144 H240 Br16 O16 Si32 Zr8 -","8","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","","0.71073","MoKα","","0.12","0.0508","","","0.0788","0.0966","","","","","","0.993","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103794","19.862","0.003","9.3987","0.0013","22.279","0.003","90","","90","","90","","4159","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0722","0.0459","","","0.1143","0.1327","","","","","","1.056","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103795","11.765","0.004","15.839","0.005","22.419","0.007","90","","90","","90","","4178","2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C192 H192 O48 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.1157","0.0529","","","0.1128","0.1385","","","","","","1.008","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103798","29.658","0.002","21.8217","0.0011","29.9635","0.0015","90","","90","","90","","19392","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C104 H104 Li2 O2 P6 S6 U -","- C104 H104 Li2 O2 P6 S6 U -","- C832 H832 Li16 O16 P48 S48 U8 -","8","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.129","0.0889","","","0.2145","0.2266","","","","","","1.096","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103826","6.3237","0.0005","12.1777","0.0009","14.7397","0.0011","90","","90","","90","","1135.08","0.15","157","2","157","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Br4 Tc -","- Br4 Tc -","- Br32 Tc8 -","8","1","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0306","0.0216","","","0.0441","0.0466","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103832","11.035","0.002","10.918","0.002","25.983","0.005","90","","90","","90","","3130.4","1","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C128 H144 N16 S16 -","4","0.5","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0868","0.0397","","","0.0856","0.0973","","","","","","0.883","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103839","8.999","","18.435","","34.463","","90","","90","","90","","5717.29","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N5 O3 Os -","- C30 H23 N5 O3 Os -","- C240 H184 N40 O24 Os8 -","8","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.1509","0.0874","","","0.1607","0.1832","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103852","13.5549","0.0002","15.6338","0.0003","18.5732","0.0003","90","","90","","90","","3935.93","0.11","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Al N2 O4 -","- C23 H19 Al N2 O4 -","- C184 H152 Al8 N16 O32 -","8","1","","Victor A. Montes; Grigory V. Zyryanov; Evgeny Danilov; Neeraj Agarwal; Manuel A. Palacios; Pavel Anzenbacher","Ultrafast Energy Transfer in Oligofluorene-Aluminum Bis(8-hydroxyquinoline)acetylacetone Coordination Polymers","Journal of the American Chemical Society","2009","131","","1787","1795","10.1021/ja805175w","","","0.71073","MoKα","","0.0942","0.0539","","","0.0927","0.1032","","","","","","1.121","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103921","11.2443","0.0002","10.0849","0.0002","21.2607","0.0004","90","","90","","90","","2410.91","0.08","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C96 H80 N16 O16 S16 -","8","1","","Takashi Hirano; Yosuke Hasumi; Kazuhiro Ohtsuka; Shojiro Maki; Haruki Niwa; Minoru Yamaji; Daisuke Hashizume","Spectroscopic Studies of the Light-Color Modulation Mechanism of Firefly (Beetle) Bioluminescence","Journal of the American Chemical Society","2009","131","","2385","2396","10.1021/ja808836b","","","0.71073","MoKα","","0.0458","0.0317","","","0.0753","0.0812","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103924","12.8333","0.0006","9.9404","0.0005","34.8473","0.0015","90","","90","","90","","4445.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O S -","- C26 H28 N O2 S -","- C208 H224 N8 O16 S8 -","8","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0711","0.0493","","","0.1208","0.1333","","","","","","1.044","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103970","8.7189","0.0002","20.6162","0.0005","30.8439","0.0006","90","","90","","90","","5544.2","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Br Mg O2 -","- C32 H33 Br Mg O2 -","- C256 H264 Br8 Mg8 O16 -","8","1","","Sven Krieck; Helmar Görls; Lian Yu; Markus Reiher; Matthias Westerhausen","Stable ""Inverse"" Sandwich Complex with Unprecedented Organocalcium(I): Crystal Structures of [(thf)2Mg(Br)-C6H2-2,4,6-Ph3] and [(thf)3Ca{μ-C6H3-1,3,5-Ph3}Ca(thf)3]","Journal of the American Chemical Society","2009","131","","2977","2985","10.1021/ja808524y","","","0.71073","MoKα","","0.096","0.0456","","","0.0859","0.1014","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103979","14.028","0.003","14.204","0.003","18.556","0.004","90","","90","","90","","3697.4","1.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","08045m","","","- C12 H24 Cu F3 N4 O3 S -","- C12 H24 Cu F3 N4 O3 S -","- C96 H192 Cu8 F24 N32 O24 S8 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0754","0.0386","","","0.082","0.1003","","","","","","1.091","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4104004","10.6478","0.0003","16.6197","0.0004","26.3441","0.0004","90","","90","","90","","4661.94","0.19","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl6 N2 P3 -","- C18 H15 Cl6 N2 P3 -","- C144 H120 Cl48 N16 P24 -","8","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.0888","0.0459","","","0.1015","0.1218","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104036","8.1385","0.0002","18.5203","0.0006","20.3914","0.0006","90","","90","","90","","3073.54","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C144 H120 N8 O16 S8 -","8","1","","Xiaodan Zhao; Elena Dimitrijević; Vy M. Dong","Palladium-Catalyzed C-H Bond Functionalization with Arylsulfonyl Chlorides","Journal of the American Chemical Society","2009","131","","3466","3467","10.1021/ja900200g","","","","","","","","","","","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104146","15.529","0.003","17.296","0.004","20.897","0.004","90","","90","","90","","5613","2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H43 N3 Si -","- C29 H43 N3 Si -","- C232 H344 N24 Si8 -","8","1","","Anukul Jana; Carola Schulzke; Herbert W. Roesky","Oxidative Addition of Ammonia at a Silicon(II) Center and an Unprecedented Hydrogenation Reaction of Compounds with Low-Valent Group 14 Elements Using Ammonia Borane","Journal of the American Chemical Society","2009","131","","4600","4601","10.1021/ja900880z","","","0.71073","MoKα","","0.0782","0.0625","","","0.1443","0.1523","","","","","","1.112","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104232","11.8724","0.0003","22.1908","0.0005","39.4936","0.0013","90","","90","","90","","10404.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Brom-penta(di-tert.-butylphosphan)alan(4)","","","- C40 H90 Al4 Br P5 -","- C40 H90 Al4 Br P5 -","- C320 H720 Al32 Br8 P40 -","8","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0563","0.0447","","","0.1093","0.1163","","","","","","1.059","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104266","16.267","0.0013","14.9046","0.0011","26.8138","0.0018","90","","90","","90","","6501.1","0.8","100","0.2","100","0.2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 Cl Gd N4 O13 -","- C29 H42 Cl Gd N4 O13 -","- C232 H336 Cl8 Gd8 N32 O104 -","8","1","","Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides","Journal of the American Chemical Society","2009","131","","3331","3341","10.1021/ja808534w","","x-ray","0.71073","MoKα","","0.067","0.0293","","","0.0525","0.0637","","","","","","1.018","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104271","15.2986","0.0002","17.1817","0.0003","21.8206","0.0004","90","","90","","90","","5735.67","0.16","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Cl N O P2 Ru -","- C28 H40 Cl N O P2 Ru -","- C224 H320 Cl8 N8 O8 P16 Ru8 -","8","1","","Chidambaram Gunanathan; Linda J. W. Shimon; David Milstein","Direct Conversion of Alcohols to Acetals and H2 Catalyzed by an Acridine-Based Ruthenium Pincer Complex","Journal of the American Chemical Society","2009","131","","3146","3147","10.1021/ja808893g","","","0.71073","MoKα","","0.054","0.0356","","","0.0863","0.0928","","","","","","1.074","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104295","8.0637","0.0007","12.3948","0.0011","31.67","0.003","90","","90","","90","","3165.4","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0437","0.0356","","","0.0831","0.0871","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104302","16.823","0.0004","15.869","0.0007","17.917","0.0008","90","","90","","90","","4783.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","pentafluorophenyltetrahedrane","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","1","","Masaaki Nakamoto; Yusuke Inagaki; Motoaki Nishina; Akira Sekiguchi","Perfluoroaryltetrahedranes: Tetrahedranes with Extended σ-π Conjugation","Journal of the American Chemical Society","2009","131","","3172","3173","10.1021/ja810055w","","","0.7107","MoKα","","0.0684","0.0496","","","0.1311","0.1455","","","","","","1.046","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104479","16.692","0.0006","15.0251","0.0006","17.9256","0.0006","90","","90","","90","","4495.7","0.3","298.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C216 H224 N32 -","8","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.71075","MoKα","","","0.0714","","","","0.0682","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104480","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104482","12.4326","0.0002","28.4196","0.0007","36.7682","0.0009","90","","90","","90","","12991.3","0.5","150","1","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F3 N O3 P2 S Si -","- C12 H30 F3 N O3 P2 S Si -","- C288 H720 F72 N24 O72 P48 S24 Si24 -","24","3","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1022","0.053","","","0.1115","0.1303","","","","","","1.014","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104613","11.5854","0.0005","17.7525","0.0006","22.9995","0.0008","90","","90","","90","","4730.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 Cl3 F6 Pd Sb -","- C19 H28 Cl3 F6 Pd Sb -","- C152 H224 Cl24 F48 Pd8 Sb8 -","8","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0562","0.0483","","","0.1187","0.1234","","","","","","1.081","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104670","10.4063","0.0004","15.4367","0.0005","27.923","0.001","90","","90","","90","","4485.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B10 Cl Pd S2 -","- C16 H23 B10 Cl Pd S2 -","- C128 H184 B80 Cl8 Pd8 S16 -","8","1","","Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin","Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes","Journal of the American Chemical Society","2009","131","","9482","9483","10.1021/ja902526k","","","0.71073","MoKα","","0.0578","0.0495","","","0.1073","0.1166","","","","","","1.239","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104679","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104680","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104718","15.278","0.003","23.227","0.005","34.895","0.007","90","","90","","90","","12383","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.2 H32.8 Cu4 F18 N4 O13 -","- C52.2 H28 Cu4 F18 N4 O13 -","- C417.6 H224 Cu32 F144 N32 O104 -","8","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.1098","0.1049","","","0.2294","0.233","","","","","","1.266","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104754","9.219","0.0002","20.3427","0.0005","34.1942","0.0009","90","","90","","90","","6412.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimesityl-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole","","- C34 H48 N2 P2 -","- C34 H48 N2 P2 -","- C272 H384 N16 P16 -","8","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1608","0.0978","","","0.1581","0.1833","","","","","","1.161","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104771","7.713","0.005","14.863","0.005","31.233","0.005","90","","90","","90","","3580","3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C184 H168 N8 O24 -","8","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71069","MoKα","","0.0969","0.0781","","","0.192","0.1995","","","","","","1.172","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104937","12.8722","0.0009","13.3804","0.0009","32.718","0.002","90","","90","","90","","5635.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Au N3 P -","- C32 H27 Au N3 P -","- C256 H216 Au8 N24 P8 -","8","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0423","0.0301","","","0.0751","0.0841","","","","","","1.051","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4105041","18.8285","0.0004","6.94145","0.00016","6.84492","0.00016","90","","90","","90","","894.61","0.03","180","","","","","","","","","","Aldrich Chemical Co. ND3 + D2O","3","P b c a","-P 2ac 2ab","61","ammonia monohydrate","","","- D5 N O -","- D5 N O -","- D80 N16 O16 -","16","2","","Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.","Crystal Structure of Ammonia Monohydrate Phase II","Journal of the American Chemical Society","2009","131","37","13508","13515","10.1021/ja9052569","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","181961","2020-10-21","18:00:00",""
"4105066","8.3245","0.0005","22.2396","0.0012","28.9822","0.0016","90","","90","","90","","5365.6","0.5","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Nd Si3 -","- C24 H39 Nd Si3 -","- C192 H312 Nd8 Si24 -","8","1","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0573","0.0349","","","0.0691","0.0765","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105073","10.3296","0.0007","19.3034","0.0012","21.659","0.0014","90","","90","","90","","4318.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CpSc(CH2SiMe3)2(thf)","","","- C17 H35 O Sc Si2 -","- C17 H35 O Sc Si2 -","- C136 H280 O8 Sc8 Si16 -","8","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0586","0.0433","","","0.1172","0.1241","","","","","","1.011","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105084","13.566","0.004","15.65","0.005","29.776","0.009","90","","90","","90","","6322","3","103","2","103","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N O5 P Pd S -","- C28 H28 Cl4 N O5 P Pd S -","- C224 H224 Cl32 N8 O40 P8 Pd8 S8 -","8","1","","Shusuke Noda; Akifumi Nakamura; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine-Sulfonate Complexes: Experiment and Theoretical Studies","Journal of the American Chemical Society","2009","131","","14088","14100","10.1021/ja9047398","","","0.7107","MoKα","","0.0396","0.0372","","","0.0914","0.093","","","","","","1.11","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105085","11.595","0.0007","14.7764","0.0009","29.2387","0.0018","90","","90","","90","","5009.5","0.5","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H44 B2 K N O6 -","- C18 H44 B2 K N O6 -","- C144 H352 B16 K8 N8 O48 -","8","1","","Daniel W. Himmelberger; Chang Won Yoon; Martin E. Bluhm; Patrick J. Carroll; Larry G. Sneddon","Base-Promoted Ammonia Borane Hydrogen-Release","Journal of the American Chemical Society","2009","131","","14101","14110","10.1021/ja905015x","","","0.71073","MoKα","","0.0459","0.0374","","","0.0892","0.0943","","","","","","1.031","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105122","33.486","0.011","17.521","0.006","38.95","0.013","90","","90","","90","","22852","13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Fe2(O)(O2CAriPrO)BPG2DEV](ClO4)","","","- C55.5 H59.44 Cl2.56 Fe2 N6 O16.97 -","- C55.5 H59.443 Cl2.557 Fe2 N6 O16.9715 -","- C888 H951.088 Cl40.912 Fe32 N96 O271.544 -","16","2","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.0993","0.0702","","","0.1817","0.2052","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105133","18.846","0.0006","17.5996","0.0005","27.546","0.0008","90","","90","","90","","9136.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H72 Ir N O P2 Si -","- C47 H72 Ir N O P2 Si -","- C376 H576 Ir8 N8 O8 P16 Si8 -","8","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0423","0.0236","","","0.0523","0.0618","","","","","","1.088","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105201","13.9454","0.0017","15.3124","0.0016","25.567","0.003","90","","90","","90","","5459.5","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium bis(tetramethylethylenediamine) hexamethyl Uranium(IV)","","- C18 H50 Li2 N4 U -","- C18 H38 Li2 N4 U -","- C144 H304 Li16 N32 U8 -","8","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.1031","0.0568","","","0.129","0.1528","","","","","","1.075","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105207","12.589","0.002","14.928","0.003","15.567","0.003","90","","90","","90","","2925.5","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C120 H160 N16 S8 -","8","1","","Zitao Wang; Yang Wang; Wen-Xiong Zhang; Zhaomin Hou; Zhenfeng Xi","Efficient One-Pot Synthesis of 2,3-Dihydropyrimidinthiones via Multicomponent Coupling of Terminal Alkynes, Elemental Sulfur, and Carbodiimides","Journal of the American Chemical Society","2009","131","","15108","15109","10.1021/ja9069419","","","0.71073","MoKα","","0.0704","0.0379","","","0.0661","0.0713","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105228","14.356","0.009","14.579","0.009","30.45","0.018","90","","90","","90","","6373","7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C225.6 H339.2 B16 F32 N56 O3.2 Os8 P8 -","8","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino","Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes","Journal of the American Chemical Society","2009","131","","15572","15573","10.1021/ja904893j","","","0.71073","MoKα","","0.0833","0.0641","","","0.112","0.1182","","","","","","1.226","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105342","10.1169","0.0002","14.662","0.0003","21.1692","0.0005","90","","90","","90","","3140.11","0.12","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0793","0.048","","","0.1134","0.1307","","","","","","0.988","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105353","9.0828","0.0018","20.691","0.004","25.599","0.005","90","","90","","90","","4810.9","1.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl3 N3 Pt -","- C25 H22 Cl3 N3 Pt -","- C200 H176 Cl24 N24 Pt8 -","8","1","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.1012","0.0648","","","0.1437","0.162","","","","","","1.088","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105422","7.882","0.0012","13.881","0.002","31.693","0.005","90","","90","","90","","3467.5","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br N O2 -","- C19 H26 Br N O2 -","- C152 H208 Br8 N8 O16 -","8","1","","Thomas J. Maimone; Jun Shi; Shinji Ashida; Phil S. Baran","Total Synthesis of Vinigrol","Journal of the American Chemical Society","2009","131","","17066","17067","10.1021/ja908194b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105427","9.443","0.0008","21.3341","0.0018","27.253","0.002","90","","90","","90","","5490.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Cd N10 O9 -","- C26 H26 Cd N10 O9 -","- C208 H208 Cd8 N80 O72 -","8","1","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.7749","synchrotron","","0.0645","0.0379","","","0.0906","0.1042","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105450","17.807","0.0004","17.9537","0.0003","31.5222","0.0008","90","","90","","90","","10077.7","0.4","123.1","","123.1","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H44 Cl16 Ga4 P4 -","- C24 H44 Cl16 Ga4 P4 -","- C192 H352 Cl128 Ga32 P32 -","8","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105556","14.33","0.006","19.457","0.008","26.718","0.01","90","","90","","90","","7449","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C33.5 H41.5 N2 O5 Sn W -","- C33.5 H41.5 N2 O5 Sn W -","- C268 H332 N16 O40 Sn8 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0489","0.0446","","","0.1565","0.16","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105557","14.6626","0.0005","19.5017","0.0006","26.3383","0.0008","90","","90","","90","","7531.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 5","","","- C36 H46 Ge N2 O6 W -","- C36 H46 Ge N2 O6 W -","- C288 H368 Ge8 N16 O48 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0224","0.0175","","","0.0447","0.0474","","","","","","1.037","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105571","11.458","0.0004","15.084","0.0003","18.391","0.0006","90","","90","","90","","3178.56","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O P S -","- C20 H13 O P S -","- C160 H104 O8 P8 S8 -","8","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0703","0.0525","","","0.1462","0.1604","","","","","","1.201","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105618","20.62","0.0017","20.3363","0.0016","25.951","0.002","90","","90","","90","","10882.1","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Cl8 N12 O4 Pd2 -","- C46 H66 Cl8 N12 O4 Pd2 -","- C368 H528 Cl64 N96 O32 Pd16 -","8","1","","Gary Jing Chuang; Weike Wang; Eunsung Lee; Tobias Ritter","A Dinuclear Palladium Catalyst for α-Hydroxylation of Carbonyls with O2","Journal of the American Chemical Society","2011","133","","1760","1762","10.1021/ja108396k","","","0.71073","MoKα","","0.0295","0.0218","","","0.0496","0.0543","","","","","","1.051","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105630","11.288","0.002","14.489","0.003","20.884","0.004","90","","90","","90","","3415.6","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","1","","Mu Lin; Feng Li; Lei Jiao; Zhi-Xiang Yu","Rh(I)-Catalyzed Formal [5 + 1]/[2 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropanes and Two CO Units: One-Step Construction of Multifunctional Angular Tricyclic 5/5/6 Compounds","Journal of the American Chemical Society","2011","133","","1690","1693","10.1021/ja110039h","","","0.71073","MoKα","","0.0559","0.0517","","","0.1131","0.1157","","","","","","1.193","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105676","21.071","0.004","18.061","0.003","10.7728","0.0014","90","","90","","90","","4099.7","1.2","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Pablo Wessig; Annika Matthes","Preparation of Strained Axially Chiral (1,5)Naphthalenophanes by Photo-dehydro-Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","2642","2650","10.1021/ja109118m","","","0.71073","MoKα","","0.0339","0.0288","","","0.0757","0.0775","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105718","19.3556","0.0007","14.2399","0.0004","19.9777","0.0006","90","","90","","90","","5506.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C168 H328 N16 P8 Si24 -","8","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.127","0.0571","","","0.0889","0.1032","","","","","","0.906","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105798","9.5249","0.0002","20.4922","0.0004","26.6299","0.0005","90","","90","","90","","5197.79","0.18","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Cl3 N O2 Pt S -","- C27 H24 Cl3 N O2 Pt S -","- C216 H192 Cl24 N8 O16 Pt8 S8 -","8","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.0556","0.035","","","0.069","0.0787","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105912","8.4998","0.0006","7.2826","0.0005","27.425","0.003","90","","90","","90","","1697.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H16 I16 K8 O72 V8 -","8","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.023","0.0217","","","0.0444","0.045","","","","","","1.205","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105933","17.339","0.006","14.752","0.006","18.507","0.007","90","","90","","90","","4734","3","85","1","85","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br4 N6 S0 Zn2 -","- C18 H12 Br4 N6 Zn2 -","- C144 H96 Br32 N48 Zn16 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.034","0.022","","","0.0454","0.0483","","","","","","1.025","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105936","23.089","0.002","22.702","0.002","15.646","0.001","90","","90","","90","","8201.1","1.1","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 Br6 N12 O Zn3 -","- C36 Br6 N12 Zn3 -","- C288 Br48 N96 Zn24 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1.3","Synchrotron","","","0.0399","","","0.0539","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106037","14.6676","0.0008","18.9334","0.0011","27.3174","0.0016","90","","90","","90","","7586.2","0.8","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H45 F6 Ir N5 O P -","- C37 H45 F6 Ir N5 O P -","- C296 H360 F48 Ir8 N40 O8 P8 -","8","1","","Michael J. Cowley; Ralph W. Adams; Kevin D. Atkinson; Martin C. R. Cockett; Simon B. Duckett; Gary G. R. Green; Joost A. B. Lohman; Rainer Kerssebaum; David Kilgour; Ryan E. Mewis","Iridium N-Heterocyclic Carbene Complexes as Efficient Catalysts for Magnetization Transfer frompara-Hydrogen","Journal of the American Chemical Society","2011","133","","6134","6137","10.1021/ja200299u","","","0.71073","MoKα","","0.0447","0.031","","","0.0736","0.0815","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106043","20.8569","0.0004","7.807","0.0002","22.9581","0.0007","90","","90","","90","","3738.26","0.17","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.0739","0.0594","","","0.1371","0.144","","","","","","1.119","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106078","12.635","0.004","14.492","0.004","19.962","0.006","90","","90","","90","","3655.2","1.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2011","133","","6862","6862","10.1021/ja201076c","","","0.7107","MoKα","","","0.1055","","","","0.1683","","","","","","1.42","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106103","15.2003","0.0016","16.024","0.003","19.873","0.004","90","","90","","90","","4840.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Cl N3 Ni -","- C27 H28 Cl N3 Ni -","- C216 H224 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0811","0.0502","","","0.0906","0.1022","","","","","","1.236","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106150","17.625","0.004","23.731","0.005","26.021","0.005","90","","90","","90","","10884","4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","TAM(ophen12HOPO)2 uranyl complex","","","- C50 H66 N8 O17 S U -","- C50 H66 N8 O17 S U -","- C400 H528 N64 O136 S8 U8 -","8","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0623","0.0331","","","0.0752","0.0842","","","","","","1.214","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106207","21.0637","0.0018","20.4454","0.0018","25.047","0.002","90","","90","","90","","10786.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H50 N4 Ni O3 -","- C70 H50 N4 Ni O3 -","- C560 H400 N32 Ni8 O24 -","8","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0555","0.0442","","","0.1137","0.1257","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106215","17.8996","0.0009","15.312","0.0007","24.1534","0.0012","90","","90","","90","","6619.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O3 Ru -","- C36 H46 N2 O3 Ru -","- C288 H368 N16 O24 Ru8 -","8","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0514","0.0296","","","0.0483","0.0493","","","","","","2.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106249","8.7051","0.0007","21.177","0.002","37.004","0.003","90","","90","","90","","6821.6","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ru(pynaph)(tpy)(H2O)](PF6)2.2(H2O)","","","- C28 H26 F12 N6 O3 P2 Ru -","- C28 H22 F12 N6 O3 P2 Ru -","- C224 H176 F96 N48 O24 P16 Ru8 -","8","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0928","","","","0.2816","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106264","17.5522","0.0006","10.4649","0.0004","28.3624","0.0009","90","","90","","90","","5209.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N3 -","- C31 H37 Fe N3 -","- C248 H296 Fe8 N24 -","8","1","","Sarah K. Russell; Emil Lobkovsky; Paul J. Chirik","Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition","Journal of the American Chemical Society","2011","133","","8858","8861","10.1021/ja202992p","","","0.71073","MoKα","","0.0581","0.0413","","","0.1067","0.1165","","","","","","1.014","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106289","9.5197","0.0001","9.9275","0.0001","21.7783","0.0002","90","","90","","90","","2058.2","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl Li N2 O4 -","- C6 H14 Cl Li N2 O4 -","- C48 H112 Cl8 Li8 N16 O32 -","8","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.029","0.0274","","","0.0786","0.0798","","","","","","1.031","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106326","9.174","0.007","14.901","0.011","27.65","0.02","90","","90","","90","","3780","5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 S3 Zn -","- C17 H15 N3 S3 Zn -","- C136 H120 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0829","0.0415","","","0.0884","0.1022","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106331","8.607","0.002","14.655","0.004","30.49","0.008","90","","90","","90","","3845.9","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 S3 Zn -","- C19 H16 N3 S3 Zn -","- C152 H128 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.1075","0.0465","","","0.0834","0.1024","","","","","","1.001","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106360","10.7845","0.0003","21.0658","0.0005","28.4655","0.0007","90","","90","","90","","6466.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Ge N2 -","- C35 H54 Ge N2 -","- C280 H432 Ge8 N16 -","8","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1707","0.0668","","","0.1451","0.1825","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106380","12.2687","0.001","25.927","0.002","48.485","0.004","90","","90","","90","","15423","2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H72 Fe2 N5 O10.26 S -","- C90 H72 Fe2 N5 O10.253 S -","- C720 H576 Fe16 N40 O82.024 S8 -","8","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1159","0.0906","","","0.1851","0.1961","","","","","","1.19","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106408","10.5493","0.0015","16.05","0.002","20.088","0.003","90","","90","","90","","3401.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0911","0.0675","","","0.1556","0.1623","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106416","14.9342","0.0018","21.214","0.003","23.28","0.003","90","","90","","90","","7375.4","1.7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 Cl Ge N2 O2 -","- C43 H49 Cl Ge N2 O2 -","- C344 H392 Cl8 Ge8 N16 O16 -","8","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0815","0.0745","","","0.1465","0.15","","","","","","1.253","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106470","19.516","0.004","12.763","0.002","28.775","0.005","90","","90","","90","","7167","2","123.1","","123.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H29 F18 N6 O2 P3 Ru -","- C28 H27 F18 N6 O2 P3 Ru -","- C224 H216 F144 N48 O16 P24 Ru8 -","8","1","","Takahiko Kojima; Kazuya Nakayama; Kenichiro Ikemura; Takashi Ogura; Shunichi Fukuzumi","Formation of a Ruthenium(IV)-Oxo Complex by Electron-Transfer Oxidation of a Coordinatively Saturated Ruthenium(II) Complex and Detection of Oxygen-Rebound Intermediates in C-H Bond Oxygenation","Journal of the American Chemical Society","2011","133","","11692","11700","10.1021/ja2037645","","","0.7107","MoKα","","","0.0871","","","","0.2005","","","","","","1.237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106495","15.8784","0.0007","21.1674","0.0009","23.6769","0.001","90","","90","","90","","7957.9","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H33 Ag F6 N2 O P2 -","- C47 H33 Ag F6 N2 O P2 -","- C376 H264 Ag8 F48 N16 O8 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0863","0.069","","","0.1318","0.1385","","","","","","1.216","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106506","10.064","0.0005","23.0863","0.0012","30.1822","0.0016","90","","90","","90","","7012.5","0.6","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","cis-beta iron(II)(BQCN)(CH~3~CN)~2~ triflate","cis-beta-Fe(II)(C~26~H~28~N~4~)(CH~3~CN)~2~(CF~3~SO~3~)~2~","","- C32 H34 F6 Fe N6 O6 S2 -","- C32 H34 F6 Fe N6 O6 S2 -","- C256 H272 F48 Fe8 N48 O48 S16 -","8","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.112","0.046","","","0.0888","0.0959","","","","","","0.743","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106545","21.936","0.003","19.036","0.002","24.287","0.003","90","","90","","90","","10142","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Ni P4 -","- C62 H54 Ni P4 -","- C496 H432 Ni8 P32 -","8","1","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.1052","0.0675","","","0.1464","0.16","","","","","","1.169","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106554","24.4562","0.0012","7.1073","0.0003","32.098","0.0015","90","","90","","90","","5579.2","0.4","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 F6 N O2 Pt S3 -","- C25.24 H19 F4.86 N O2 Pt S3 -","- C201.92 H152 F38.88 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0602","0.0365","","","0.0691","0.0771","","","","","","1.082","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106598","17.112","0.003","23.856","0.005","27.445","0.006","90","","90","","90","","11204","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Gross-33 (Jenny)","","","- C47.5 H15 Al Cl F15 I4 N6 -","- C49.5 H20 Al F15 I4 N6 -","- C396 H160 Al8 F120 I32 N48 -","8","1","","Jenya Vestfrid; Mark Botoshansky; Joshua H. Palmer; Alec C. Durrell; Harry B. Gray; Zeev Gross","Iodinated Aluminum(III) Corroles with Long-Lived Triplet Excited States","Journal of the American Chemical Society","2011","133","","12899","12901","10.1021/ja202692b","","","0.71073","MoKα","","0.1166","0.0612","","","0.1749","0.2003","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106654","23.002","0.002","7.7747","0.0008","25.097","0.003","90","","90","","90","","4488.2","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C192 H232 N24 O48 -","8","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0499","0.0433","","","0.1032","0.1067","","","","","","1.091","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106669","15.2121","0.0006","13.224","0.0005","21.2579","0.0009","90","","90","","90","","4276.3","0.3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H14 F10 N3 O2 Re -","- C19 H14 F10 N3 O2 Re -","- C152 H112 F80 N24 O16 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0663","0.0318","","","0.0617","0.072","","","","","","1.028","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106683","8.6638","0.0004","12.9337","0.0007","18.688","0.001","90","","90","","90","","2094.08","0.19","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N6 O4 -","- C6 H8 Cu N6 O4 -","- C48 H64 Cu8 N48 O32 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0552","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106702","8.2905","0.0003","10.0263","0.0003","23.1917","0.0008","90","","90","","90","","1927.76","0.11","100","","100","","","","","","","","LOC ETH Zurich","6","P b c a","-P 2ac 2ab","61","","2-fluoro-4,5-dimethyl-2-phenyl-1,3,4,2-dioxazaborol-4-ium-2-uide","","- C9 H11 B F N O2 -","- C9 H11 B F N O2 -","- C72 H88 B8 F8 N8 O16 -","8","1","","Cam-Van T. Vo; T. Andrew Mitchell; Jeffrey W. Bode","Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals","Journal of the American Chemical Society","2011","133","","14082","14089","10.1021/ja205174c","","","0.71073","MoKα","","0.0563","0.0412","","","0.1231","0.1441","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106889","24.6803","0.0007","19.0086","0.0006","24.8761","0.0008","90","","90","","90","","11670.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C186 H104 La2 N8 Ni2 -","- C186 H104 La1.9998 N8 Ni2 -","- C744 H416 La7.9992 N32 Ni8 -","4","0.5","","Christine M. Beavers; Hongxiao Jin; Hua Yang; Zhimin Wang; Xinqing Wang; Hongliang Ge; Ziyang Liu; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Very Large, Soluble Endohedral Fullerenes in the Series La2C90 to La2C138: Isolation and Crystallographic Characterization of La2@D5(450)-C100","Journal of the American Chemical Society","2011","133","","15338","15341","10.1021/ja207090e","","","0.7749","synchrotron","","0.1162","0.0726","","","0.2027","0.2411","","","","","","1.026","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106938","11.0072","0.0004","17.2751","0.0005","17.6048","0.0006","90","","90","","90","","3347.56","0.19","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C120 H136 I16 N8 O8 -","8","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0935","0.0795","","","0.2079","0.2203","","","","","","1.126","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106941","8.2062","0.0003","22.2585","0.0007","28.7399","0.0009","90","","90","","90","","5249.6","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Y -","- C24 H39 Si3 Y -","- C192 H312 Si24 Y8 -","8","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0341","0.0236","","","0.0527","0.0561","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106960","5.6446","0.0016","7.425","0.002","14.514","0.004","90","","90","","90","","608.3","0.3","173","2","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 N Na -","- B H5 N Na -","- B8 H40 N8 Na8 -","8","1","","David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage","Journal of the American Chemical Society","2011","133","","16598","16604","10.1021/ja206357a","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0919","0.0946","","","","","","1.249","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107002","27.165","0.004","13.745","0.002","46.162","0.007","90","","90","","90","","17236","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H60 I6 N16 O8 Zn3 -","- C82 H60 I6 N16 O8 Zn3 -","- C656 H480 I48 N128 O64 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0944","0.0556","","","0.1251","0.1445","","","","","","0.93","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107003","27.249","0.006","13.798","0.003","44.834","0.01","90","","90","","90","","16857","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H47 I6 N13 O3 Zn3 -","- C64 H47 I6 N13 O3 Zn3 -","- C512 H376 I48 N104 O24 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.13","0.0986","","","0.3159","0.3358","","","","","","1.276","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107004","27.11","0.005","13.785","0.003","45.814","0.009","90","","90","","90","","17121","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H81 I6 N13 O2 Zn3 -","- C81 H81 I6 N13 O2 Zn3 -","- C648 H648 I48 N104 O16 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.1244","0.0997","","","0.3464","0.3681","","","","","","1.516","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107005","28.147","0.003","13.8926","0.0013","44.028","0.004","90","","90","","90","","17216","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C536 H400 Cl32 I48 N112 O32 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0824","0.0653","","","0.2557","0.2799","","","","","","1.203","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107017","8.5768","0.0004","15.0166","0.0006","18.426","0.0008","90","","90","","90","","2373.17","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0423","0.0369","","","0.0992","0.1123","","","","","","1.212","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107029","9.549","0.0017","12.04","0.002","27.566","0.005","90","","90","","90","","3169.3","1","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TFM4031","","","- C17 H27 N O -","- C17 H27 N O -","- C136 H216 N8 O8 -","8","1","","Todd F. Markle; Ian J. Rhile; James M. Mayer","Kinetic Effects of Increased Proton Transfer Distance on Proton-Coupled Oxidations of Phenol-Amines","Journal of the American Chemical Society","2011","133","","17341","17352","10.1021/ja2056853","","","0.71073","MoKα","","0.1381","0.0698","","","0.142","0.166","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107042","10.9427","0.0005","15.7965","0.0007","32.9696","0.0012","90","","90","","90","","5699","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(tBuPCP)PdOH][HOCH2CH2F]","(1-FE)","","- C26 H49.38 F0.63 O2 P2 Pd -","- C26 H49.34 F0.66 O2 P2 Pd -","- C208 H394.72 F5.28 O16 P16 Pd8 -","8","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.1352","0.0804","","","0.1444","0.1648","","","","","","1.104","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107120","19.9808","0.0017","20.8738","0.0018","22.375","0.002","90","","90","","90","","9332.1","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H74 Br O2 P Pd -","- C51 H74 Br O2 P Pd -","- C408 H592 Br8 O16 P8 Pd8 -","8","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.055","0.0433","","","0.1083","0.1148","","","","","","1.046","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107125","11.2149","0.0005","24.117","0.001","37.5403","0.0013","90","","90","","90","","10153.5","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H79 B Fe N3 P3 Si2 -","- C47 H79 B Fe N3 P3 Si2 -","- C376 H632 B8 Fe8 N24 P24 Si16 -","8","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0715","0.0504","","","0.0963","0.1025","","","","","","1.144","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107232","10.051","0.0007","13.3654","0.0009","24.4607","0.0017","90","","90","","90","","3285.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B Cr N2 O3 -","- C14 H21 B Cr N2 O3 -","- C112 H168 B8 Cr8 N16 O24 -","8","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0561","0.0485","","","0.1254","0.1323","","","","","","1.078","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107250","17.0809","0.0011","18.9831","0.0012","20.863","0.0014","90","","90","","90","","6764.8","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trimethylsilicenium Tetrakis(pentafluorophenyl)borate toluene solvate","","- C34 H17 B F20 Si -","- C34 H17 B F20 Si -","- C272 H136 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0932","0.0398","","","0.0778","0.0895","","","","","","0.964","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107251","17.0523","0.0004","18.985","0.0005","20.8924","0.0005","90","","90","","90","","6763.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.69 H17.08 B F20.08 Si1.08 -","- C33.6912 H17.0772 B F20.0772 Si1.0772 -","- C269.53 H136.618 B8 F160.618 Si8.6176 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0712","0.0385","","","0.0866","0.096","","","","","","1.035","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107257","16.6384","0.0011","20.3523","0.0011","24.3708","0.0015","90","","90","","90","","8252.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C344 H232 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.051","","","0.1214","0.1378","","","","","","1.023","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107289","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107333","21.944","0.003","22.017","0.002","20.452","0.002","90","","90","","90","","9881.2","1.9","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0806","0.0602","","","0.1631","0.1714","","","","","","1.218","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107334","22.031","0.003","22.122","0.003","20.498","0.002","90","","90","","90","","9990","2","273","","273","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.1178","0.0746","","","0.18","0.1945","","","","","","1.192","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107335","21.966","0.003","22.066","0.003","20.473","0.002","90","","90","","90","","9923","2","188","","188","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0843","0.0593","","","0.1582","0.1675","","","","","","1.148","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107336","21.958","0.003","22.035","0.002","20.4625","0.0017","90","","90","","90","","9900.7","1.8","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0757","0.059","","","0.1609","0.168","","","","","","1.232","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107385","12.4605","0.0018","16.177","0.003","27.824","0.004","90","","90","","90","","5608.6","1.5","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H43 Mo N P4 -","- C21 H43 Mo N P4 -","- C168 H344 Mo8 N8 P32 -","8","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.1441","0.0607","","","0.1434","0.1744","","","","","","1.024","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107393","9.079","0.005","16.098","0.009","20.702","0.012","90","","90","","90","","3026","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","1","","Matthew B. Boxer; Matsujiro Akakura; Hisashi Yamamoto","Ketone Super Silyl Enol Ethers in Sequential Reactions: Diastereoselective Generation of Tertiary Carbinols in One Pot","Journal of the American Chemical Society","2008","130","","1580","1582","10.1021/ja7102586","","","0.71073","MoKα","","0.1073","0.0665","","","0.1403","0.157","","","","","","1.038","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107394","27.91","0.01","13.839","0.006","44.93","0.02","90","","90","","90","","17354","12","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64.4 H46 I6 N14.4 O2.8 Zn3 -","- C64.4 H46 I6 N14.4 O2.8 Zn3 -","- C515.2 H368 I48 N115.2 O22.4 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1333","0.0747","","","0.2234","0.2689","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107395","28.4","0.01","13.872","0.006","44.18","0.02","90","","90","","90","","17405","13","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64.2 H47 I6 N13 O0.7 Zn3 -","- C64.2 H47 I6 N13 O0.7 Zn3 -","- C513.6 H376 I48 N104 O5.6 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.0915","0.0573","","","0.1679","0.1896","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107396","28.14","0.01","14.022","0.005","44.48","0.02","90","","90","","90","","17551","12","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.2 H42.2 I6 N13 O Zn3 -","- C57.2 H42.2 I6 N13 O Zn3 -","- C457.6 H337.6 I48 N104 O8 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1724","0.0895","","","0.2529","0.3058","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107397","28.28","0.003","14.012","0.002","44.907","0.005","90","","90","","90","","17795","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H48 I6 N13 O2.5 Zn3 -","- C66 H48 I6 N13 O2.5 Zn3 -","- C528 H384 I48 N104 O20 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1151","0.0691","","","0.2101","0.2398","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107404","16.395","0.008","6.057","0.002","18.058","0.009","90","","90","","90","","1793.2","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi","The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads","Journal of the American Chemical Society","2008","130","","1944","1952","10.1021/ja076591b","","","0.71073","MoKα","","0.1399","0.053","","","0.0638","0.0809","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107442","13.0047","0.0008","19.9544","0.0012","24.4736","0.0015","90","","90","","90","","6350.9","0.7","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C26 H32 B9 Cl3 D N P Rh S -","- C26 H32 B9 Cl3 D N P Rh S -","- C208 H256 B72 Cl24 D8 N8 P8 Rh8 S8 -","8","1","","Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro","Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster","Journal of the American Chemical Society","2008","130","","2148","2149","10.1021/ja078197j","","","0.71073","MoKα","","0.065","0.0512","","","0.1037","0.1081","","","","","","1.206","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107519","14.0117","0.0002","7.9618","0.0002","27.913","0.0006","90","","90","","90","","3113.93","0.11","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","","Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates","Journal of the American Chemical Society","2008","130","","2908","2909","10.1021/ja710013y","","","0.71069","MoKα","","","0.0539","","","","0.0616","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107663","19.9611","0.0013","16.7865","0.0011","23.8821","0.0016","90","","90","","90","","8002.3","0.9","187","2","187","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H55 Cl2 N2 O2 Y -","- C40 H55 Cl2 N2 O2 Y -","- C320 H440 Cl16 N16 O16 Y8 -","8","1","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.1012","0.0445","","","0.0968","0.1074","","","","","","0.839","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107684","11.8607","0.0011","17.2023","0.0017","32.273","0.003","90","","90","","90","","6584.7","1.1","141","2","141","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H55 N O U -","- C36 H55 N O U -","- C288 H440 N8 O8 U8 -","8","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.0896","0.0399","","","0.0656","0.078","","","","","","1.004","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107766","13.0193","0.0015","14.7971","0.0017","26.831","0.003","90","","90","","90","","5168.9","1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N4 Pt S4 Zn2 -","- C18 H36 Cl2 N4 Pt S4 Zn2 -","- C144 H288 Cl16 N32 Pt8 S32 Zn16 -","8","1","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","1.54178","CuKα","","0.0492","0.0307","","","0.0563","0.0595","","","","","","1.009","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107768","24.789","0.003","24.031","0.003","15.525","0.002","90","","90","","90","","9248","2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holrc02","","","- C102 H136 D12 Fe2 N10 -","- C102 H148 Fe2 N10 -","- C408 H592 Fe8 N40 -","4","0.5","","Ryan E. Cowley; Jérôme Elhaïk; Nathan A. Eckert; William W. Brennessel; Eckhard Bill; Patrick L. Holland","A Bridging Hexazene (RNNNNNNR) Ligand from Reductive Coupling of Azides","Journal of the American Chemical Society","2008","130","","6074","6075","10.1021/ja801375g","","","0.71073","MoKα","","0.1014","0.0641","","","0.1305","0.144","","","","","","1.064","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107781","16.101","0.003","16.526","0.003","25.199","0.004","90","","90","","90","","6705","2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holas17","","","- C72 H108 Fe2 N4 O4 -","- C72 H108 Fe2 N4 O4 -","- C288 H432 Fe8 N16 O16 -","4","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0881","0.0496","","","0.114","0.1288","","","","","","1.035","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107959","24.119","0.002","12.8676","0.0013","31.795","0.003","90","","90","","90","","9867.7","1.6","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB6 hydrate","CB6 hydrate","","- C34 H60 Cl2 N24 O23 -","- C34 H36 N24 O12 -","- C272 H288 N192 O96 -","8","1","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0926","0.0565","","","0.1146","0.125","","","","","","1","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108103","7.242","0.002","13.408","0.004","17.835","0.005","90","","90","","90","","1731.8","0.9","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn N O3 -","- C8 H6 Mn N O3 -","- C64 H48 Mn8 N8 O24 -","8","1","","Derek R. Laws; Daesung Chong; Karen Nash; Arnold L. Rheingold; William E. Geiger","Cymantrene Radical Cation Family: Spectral and Structural Characterization of the Half-Sandwich Analogues of Ferrocenium Ion","Journal of the American Chemical Society","2008","130","","9859","9870","10.1021/ja801930q","","","0.71073","MoKα","","0.04","0.0287","","","0.0679","0.0738","","","","","","1.049","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108136","16.057","0.002","16.991","0.002","19.045","0.002","90","","90","","90","","5195.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(C4H9)4N][C(NH2)3][C4O2S2]","","","- C21 H42 N4 O2 S2 -","- C21 H42 N4 O2 S2 -","- C168 H336 N32 O16 S16 -","8","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1273","0.0552","","","0.1513","0.2096","","","","","","1.007","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108178","18.1318","0.0006","18.1789","0.0006","18.3767","0.0006","90","","90","","90","","6057.3","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H41 B Fe N8 -","- C29 H41 B Fe N8 -","- C232 H328 B8 Fe8 N64 -","8","1","","Jeremiah J. Scepaniak; Meita D. Fulton; Ranko P. Bontchev; Eileen N. Duesler; Martin L. Kirk; Jeremy M. Smith","Structural and Spectroscopic Characterization of an Electrophilic Iron Nitrido Complex","Journal of the American Chemical Society","2008","130","","10515","10517","10.1021/ja8027372","","","0.71073","MoKα","","0.0632","0.0378","","","0.0953","0.1108","","","","","","1","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108195","18.5429","0.0018","7.2296","0.0007","28.476","0.003","90","","90","","90","","3817.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl N2 O2 -","- C18 H31 Cl N2 O2 -","- C144 H248 Cl8 N16 O16 -","8","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.1342","0.0808","","","0.1671","0.197","","","","","","1.173","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108197","14.009","0.002","8.2472","0.0012","24.853","0.004","90","","90","","90","","2871.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C104 H168 Cl8 N16 O16 -","8","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.0621","0.0428","","","0.1161","0.1231","","","","","","1.089","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108219","17.5108","0.001","17.3197","0.001","20.0351","0.0011","90","","90","","90","","6076.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H47 Br2 Ir P2 -","- C30 H47 Br2 Ir P2 -","- C240 H376 Br16 Ir8 P16 -","8","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0459","0.0378","","","0.1206","0.1265","","","","","","1.061","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108221","11.7312","0.0007","20.4871","0.0013","29.5148","0.0018","90","","90","","90","","7093.5","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H55 Ir O P2 -","- C39 H55 Ir O P2 -","- C312 H440 Ir8 O8 P16 -","8","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0526","0.0376","","","0.0812","0.0877","","","","","","1.001","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108248","11.0954","0.0006","10.5677","0.0006","19.0897","0.0011","90","","90","","90","","2238.3","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C96 H104 Si8 -","4","0.5","","Igor V. Alabugin; Kerry Gilmore; Satish Patil; Mariappan Manoharan; Serguei V. Kovalenko; Ronald J. Clark; Ion Ghiviriga","Radical Cascade Transformations of Tris(o-aryleneethynylenes) into Substituted Benzo[a]indeno[2,1-c]fluorenes","Journal of the American Chemical Society","2008","130","","11535","11545","10.1021/ja8038213","","","0.71073","MoKα","","0.0663","0.0651","","","0.1349","0.1356","","","","","","1.362","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108289","20.109","0.002","20.1593","0.0018","24.523","0.002","90","","90","","90","","9941.2","1.6","173.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H39 B F24 Ir P -","- C45 H27 B F23.94 Ir P -","- C360 H216 B8 F191.52 Ir8 P8 -","8","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0594","","","","0.134","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108323","14.163","0.004","14.134","0.004","16.658","0.004","90","","90","","90","","3334.6","1.6","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","jonll04","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0267","0.0207","","","0.0492","0.0522","","","","","","1.047","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108324","14.216","0.003","14.109","0.003","16.637","0.003","90","","90","","90","","3336.9","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","jonll02","","","- C18 H23 Cl Ir N -","- C18 H23 Cl Ir N -","- C144 H184 Cl8 Ir8 N8 -","8","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0197","0.0152","","","0.033","0.0342","","","","","","1.044","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108341","9.675","0.0019","9.456","0.0019","34.564","0.007","90","","90","","90","","3162.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","1","","Edward C. Lis; Rebecca J. Salomon; Michal Sabat; William H. Myers; W. Dean Harman","Synthesis of 1-Oxadecalins from Anisole Promoted by Tungsten","Journal of the American Chemical Society","2008","130","","12472","12476","10.1021/ja803605m","","","0.71073","MoKα","","0.126","0.0925","","","0.2683","0.3006","","","","","","1.035","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108360","15.615","0.003","29.921","0.004","29.357","0.004","90","","90","","90","","13716","4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.35 H69.7 B Cl4.7 N6 O -","- C79.35 H69.7 B Cl4.7 N6 O -","- C634.8 H557.6 B8 Cl37.6 N48 O8 -","8","1","","Yasuhide Inokuma; Shanmugam Easwaramoorthi; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-(4-(N,N-Dialkylamino)phenyl)-Substituted Subporphyrins: Remarkably Perturbed Absorption Spectra and Enhanced Fluorescence by Intramolecular Charge Transfer Interactions","Journal of the American Chemical Society","2008","130","","12234","12235","10.1021/ja804846v","","","0.71075","MoKα","","0.1076","0.0722","","","0.2107","0.2411","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108369","13.9726","0.0009","14.3223","0.0009","29.797","0.002","90","","90","","90","","5963","0.7","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 N2 O S4 W -","- C22 H22 Cl2 N2 O S4 W -","- C176 H176 Cl16 N16 O8 S32 W8 -","8","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0919","0.0813","","","0.2129","0.2275","","","","","","1.083","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108379","12.194","0.009","18.331","0.013","19.774","0.014","90","","90","","90","","4420","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 B F10 P -","- C20 H18 B F10 P -","- C160 H144 B8 F80 P8 -","8","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Activation of H2 by Phosphinoboranes R2PB(C6F5)2","Journal of the American Chemical Society","2008","130","","12632","12633","10.1021/ja805493y","","","0.71073","MoKα","","0.0821","0.0553","","","0.1494","0.1889","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108398","20.67","0.0005","27.198","0.0007","28.726","0.0009","90","","90","","90","","16149.3","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C96 H82 Cl Cs F N5 O14 -","- C84 Cl3 Cs F N4 O11 -","- C672 Cl24 Cs8 F8 N32 O88 -","8","1","","Jonathan L. Sessler; Sung Kuk Kim; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch","Crown-6-calix[4]arene-Capped Calix[4]pyrrole: An Ion-Pair Receptor for Solvent-Separated CsF Ions","Journal of the American Chemical Society","2008","130","","13162","13166","10.1021/ja804976f","","","0.7107","MoKα","","0.2815","0.1683","","","0.3399","0.4349","","","","","","1.047","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108425","13.3087","0.0004","17.4037","0.0005","24.3214","0.0007","90","","90","","90","","5633.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3,5,6,2',3',5'6'-ocatabromo-4,4'-dihexylbiphenyl","","- C24 H26 Br8 -","- C24 H26 Br8 -","- C192 H208 Br64 -","8","1","","Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King","18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond","Journal of the American Chemical Society","2008","130","","13392","13399","10.1021/ja803396n","","","0.71073","MoKα","","0.0666","0.0362","","","0.0677","0.0727","","","","","","1","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108522","14.4419","0.0002","24.1793","0.0003","51.1378","0.0007","90","","90","","90","","17857.1","0.4","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C84 H150 O4 Si4 U2 -","- C84 H150 O4 Si4 U2 -","- C672 H1200 O32 Si32 U16 -","8","1","","Alistair S. Frey; F. Geoffrey N. Cloke; Peter B. Hitchcock; Iain J. Day; Jennifer C. Green; Georgina Aitken","Mechanistic Studies on the Reductive Cyclooligomerisation of CO by U(III) Mixed Sandwich Complexes; the Molecular Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-Cp*)]2(μ-η1:η1-C2O2)","Journal of the American Chemical Society","2008","130","","13816","13817","10.1021/ja8059792","","x-ray","0.71073","MoKα","","0.0777","0.0645","","","0.1262","0.1302","","","","","","1.306","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108632","17.05","0.003","9.0194","0.0015","32.227","0.006","90","","90","","90","","4955.9","1.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Co3 N6 O6 S3 -","- C18 H15 Co3 N6 O6 S3 -","- C144 H120 Co24 N48 O48 S24 -","8","1","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0685","0.0437","","","0.0908","0.0995","","","","","","1.052","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108635","10.7709","0.0015","11.1673","0.0018","19.954","0.004","90","","90","","90","","2400.1","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N6 -","- C32 H24 N6 -","- C128 H96 N24 -","4","0.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.0502","0.0324","","","0.0704","0.0779","","","","","","1.026","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108649","26.0197","0.0004","34.9666","0.0007","44.9034","0.001","90","","90","","90","","40854","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H60 K19 O164 P3 W39 -","- K18.75 O162.5 P3 W39 -","- K150 O1300 P24 W312 -","8","1","","Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin","""Bottom-Up"" Meets ""Top-Down"" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-","Journal of the American Chemical Society","2008","130","","14946","14947","10.1021/ja806596j","","","0.71073","MoKα","","0.1346","0.0705","","","0.1307","0.145","","","","","","1.002","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108650","19.3532","0.0011","7.5226","0.0005","23.5522","0.0014","90","","90","","90","","3428.9","0.4","200.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Oxo-1-hydro-2-tert-butylbenzo[bc]corannulene","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","","Shinsuke Nishida; Yasushi Morita; Akira Ueda; Tadahiro Kobayashi; Kozo Fukui; Kanako Ogasawara; Kazunobu Sato; Takeji Takui; Kazuhiro Nakasuji","Curve-Structured Phenalenyl Chemistry: Synthesis, Electronic Structure, and Bowl-Inversion Barrier of a Phenalenyl-Fused Corannulene Anion","Journal of the American Chemical Society","2008","130","","14954","14955","10.1021/ja806708j","","","0.71075","MoKα","","","0.1265","","","","0.2123","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108720","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108721","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108736","17.2428","0.0001","22.0385","0.0001","35.3168","0.0003","90","","90","","90","","13420.6","0.15","210","","210","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H42 B F24 I O4 Ru2 -","- C56 H42 B F24 I O4 Ru2 -","- C448 H336 B8 F192 I8 O32 Ru16 -","8","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.114","0.0991","","0.3593","0.3445","0.3593","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108771","15.366","0.0007","17.5521","0.0008","19.3972","0.0009","90","","90","","90","","5231.5","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Mo P4 S -","- C20 H42 Mo P4 S -","- C160 H336 Mo8 P32 S8 -","8","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0293","0.0226","","","0.054","0.0578","","","","","","1.049","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108774","15.3325","0.0009","17.6221","0.001","19.508","0.0011","90","","90","","90","","5270.9","0.5","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Mo P4 Se -","- C20 H42 Mo P4 Se -","- C160 H336 Mo8 P32 Se8 -","8","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0774","0.0436","","","0.1017","0.1203","","","","","","1.048","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108873","19.5991","0.0009","17.4575","0.0009","21.7621","0.0012","90","","90","","90","","7445.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 B F20 O Si -","- C34 H25 B F20 O Si -","- C272 H200 B8 F160 O8 Si8 -","8","1","","Jian Yang; Peter S. White; Maurice Brookhart","Scope and Mechanism of the Iridium-Catalyzed Cleavage of Alkyl Ethers with Triethylsilane","Journal of the American Chemical Society","2008","130","","17509","17518","10.1021/ja806419h","","","0.71073","MoKα","","0.0687","0.0522","","","0.1414","0.1498","","","","","","1.082","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108915","10.8666","0.001","16.478","0.003","24.053","0.002","90","","90","","90","","4306.9","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","peptide","","","- C20 H28 N4 O5 -","- C20 H28 N4 O5 -","- C160 H224 N32 O40 -","8","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","MoKα","","0.1348","0.0768","","","0.1355","0.1555","","","","","","1.108","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108963","14.5404","0.0006","15.7053","0.0008","22.1506","0.0014","90","","90","","90","","5058.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Fe O2 P Si -","- C26 H31 Fe O2 P Si -","- C208 H248 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki; Takahiko Yoshitomi; Junpei Naito; Akira Sato; Takashi Komuro; Hiromi Tobita","Recombination of an Fe-Si-P Linkage to an Fe-P-Si Linkage through an Isolable Intermediate Phosphasilaferracyclopropane","Journal of the American Chemical Society","2008","130","","17674","17675","10.1021/ja808443v","","x-ray","0.71069","MoKα","","0.0949","0.0721","","","0.1569","0.1672","","","","","","1.201","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108970","10.653","0.002","14.545","0.003","21.789","0.004","90","","90","","90","","3376.2","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Mukund P. Sibi; Levi M. Stanley; Xiaoping Nie; Lakshmanan Venkatraman; Mei Liu; Craig P. Jasperse","The Role of Achiral Pyrazolidinone Templates in Enantioselective Diels-Alder Reactions: Scope, Limitations, and Conformational Insights","Journal of the American Chemical Society","2007","129","","395","405","10.1021/ja066425o","","","0.71073","MoKα","","0.174","0.0475","","","0.0917","0.1327","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108992","13.3373","0.0009","7.1636","0.0005","26.4564","0.0018","90","","90","","90","","2527.7","0.3","150","2","150","2","","","","","","","S. Djurdjevic SD2H/DDD","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","","Smilja Djurdjevic; David A. Leigh; Hamish McNab; Simon Parsons; Gilberto Teobaldi; Francesco Zerbetto","Extremely Strong and Readily Accessible AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2007","129","","476","477","10.1021/ja067410t","","","0.71073","MoKα","","0.0621","0.0437","","","0.0964","0.1041","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109055","18.309","0.004","10.249","0.002","28.639","0.005","90","","90","","90","","5374.1","1.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H42 O3 -","- C32 H42 O3 -","- C256 H336 O24 -","8","1","","Aaron B. Beeler; Shun Su; Chris A. Singleton; John A. Porco","Discovery of Chemical Reactions through Multidimensional Screening","Journal of the American Chemical Society","2007","129","","1413","1419","10.1021/ja0674744","","","0.71073","MoKα","","0.0811","0.0466","","","0.1079","0.1317","","","","","","1.059","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109144","15.6194","0.0011","21.1141","0.0015","24.6763","0.0018","90","","90","","90","","8138","1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H52 N6 Ni2 O3 -","- C44 H52 N6 Ni2 O3 -","- C352 H416 N48 Ni16 O24 -","8","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0421","0.0315","","","0.0756","0.0815","","","","","","1.047","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109172","15.6106","0.0016","16.1279","0.0017","19.714","0.002","90","","90","","90","","4963.3","0.9","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","TMC","","","- C28 H37 N3 -","- C28 H36.079 N3 -","- C224 H288.632 N24 -","8","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.1674","0.0865","","","0.2419","0.31","","","","","","1.041","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4109193","9.439","0.0019","14.839","0.003","18.608","0.004","90","","90","","90","","2606.3","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Luke D. Elliott; Malcolm Berry; Andrew J. Orr-Ewing; Kevin I. Booker-Milburn","The Intramolecular Photometathesis of Pyrroles","Journal of the American Chemical Society","2007","129","","3078","3079","10.1021/ja070254l","","","0.71073","MoKα","","0.0868","0.0545","","","0.1116","0.1249","","","","","","1.021","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109194","12.6256","0.0017","17.061","0.002","17.386","0.002","90","","90","","90","","3745","0.8","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N3 Pt -","- C24 H19 N3 Pt -","- C192 H152 N24 Pt8 -","8","1","","Shu-Bin Zhao; Rui-Yao Wang; Suning Wang","Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square","Journal of the American Chemical Society","2007","129","","3092","3093","10.1021/ja0702770","","","0.71073","MoKα","","0.0383","0.0309","","","0.0821","0.0898","","","","","","1","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109210","16.6883","0.0009","17.6585","0.0009","24.283","0.0013","90","","90","","90","","7156","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Fe3 N2 O23 -","- C22 H28 Cl Fe3 N2 O23 -","- C176 H224 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.0629","0.0443","","","0.1181","0.1253","","","","","","0.962","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109211","17.0064","0.0012","17.4079","0.0012","23.9382","0.0017","90","","90","","90","","7086.8","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Cl Fe3 N2 O23 -","- C23 H31 Cl Fe3 N2 O23 -","- C184 H248 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.0765","0.0481","","","0.1199","0.1449","","","","","","1.084","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109212","16.6966","0.001","17.6462","0.0011","24.2991","0.0015","90","","90","","90","","7159.3","0.8","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Fe3 N2 O23 -","- C22 H28 Cl Fe3 N2 O23 -","- C176 H224 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.1276","0.0575","","","0.1374","0.1771","","","","","","1.057","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109244","10.54","0.002","16.113","0.003","24.914","0.005","90","","90","","90","","4231.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C176 H200 N8 O32 S8 -","8","1","","Jennifer M. Schomaker; Andrea R. Geiser; Rui Huang; Babak Borhan","Tetrasubstituted Pyrrolidines via a Tandem Aza-Payne/Hydroamination Reaction","Journal of the American Chemical Society","2007","129","","3794","3795","10.1021/ja068077w","","","0.71073","MoKα","","0.1078","0.0535","","","0.1317","0.1589","","","","","","0.954","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109292","17.6927","0.0006","19.4801","0.0006","26.9426","0.0009","90","","90","","90","","9285.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H35 B F24 Ni -","- C47 H35 B F24 Ni -","- C376 H280 B8 F192 Ni8 -","8","1","","Abby R. O'Connor; Peter S. White; Maurice Brookhart","The Mechanism of Polymerization of Butadiene by ""Ligand-Free"" Nickel(II) Complexes","Journal of the American Chemical Society","2007","129","","4142","4143","10.1021/ja070364s","","","1.54178","CuKα","","0.1148","0.0973","","","0.2564","0.2744","","","","","","1.011","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109342","19.536","0.005","18.424","0.004","22.264","0.006","90","","90","","90","","8014","3","128","2","128","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H52 F5 N O P2 Ti -","- C38 H52 F5 N O P2 Ti -","- C304 H416 F40 N8 O8 P16 Ti8 -","8","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.1184","0.0396","","","0.0751","0.0938","","","","","","0.767","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109437","19.161","0.003","13.9554","0.0018","49.017","0.006","90","","90","","90","","13107","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C74 H81 Cl3 Cu N6 O Pd -","- C74 H81 Cl3 Cu N6 O Pd -","- C592 H648 Cl24 Cu8 N48 O8 Pd8 -","8","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71073","MoKα","","0.1061","0.0779","","","0.2023","0.2175","","","","","","1.043","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109445","14.0332","0.0009","15.9112","0.0011","18.8817","0.0012","90","","90","","90","","4216","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B N7 P Ru -","- C15 H25 B N7 P Ru -","- C120 H200 B8 N56 P8 Ru8 -","8","1","","Nicholas A. Foley; Marty Lail; John P. Lee; T. Brent Gunnoe; Thomas R. Cundari; Jeffrey L. Petersen","Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene","Journal of the American Chemical Society","2007","129","","6765","6781","10.1021/ja068542p","","","0.71073","MoKα","","0.0574","0.0435","","","0.1102","0.121","","","","","","1.045","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109464","13.033","0.002","13.274","0.002","20.406","0.003","90","","90","","90","","3530.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N O3 P -","- C19 H22 N O3 P -","- C152 H176 N8 O24 P8 -","8","1","","Xue-Feng Zhu; Christopher E. Henry; Ohyun Kwon","Stable Tetravalent Phosphonium Enolate Zwitterions","Journal of the American Chemical Society","2007","129","","6722","6723","10.1021/ja071990s","","","0.71073","MoKα","","0.0474","0.0373","","","0.0922","0.0984","","","","","","1.053","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109536","18.545","0.004","16.868","0.003","25.24","0.005","90","","90","","90","","7896","3","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jontl01","Ni(dippe)(CH2CN)Cl","","- C16 H34 Cl N Ni P2 -","- C16 H34 Cl N Ni P2 -","- C256 H544 Cl16 N16 Ni16 P32 -","16","2","","Tülay A. Ateşin; Ting Li; Sébastien Lachaize; William W. Brennessel; Juventino J. García; William D. Jones","Experimental and Theoretical Examination of C-CN and C-H Bond Activations of Acetonitrile Using Zerovalent Nickel","Journal of the American Chemical Society","2007","129","","7562","7569","10.1021/ja0707153","","","0.71073","MoKα","","0.057","0.0332","","","0.0731","0.0831","","","","","","1.012","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109754","9.6596","0.0016","21.302","0.004","26.248","0.004","90","","90","","90","","5401","1.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 N O2 Si -","- C31 H37 N O2 Si -","- C248 H296 N8 O16 Si8 -","8","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.101","0.0699","","","0.1525","0.1689","","","","","","1.074","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109756","9.5087","0.0017","21.076","0.004","26.118","0.005","90","","90","","90","","5234.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N O2 Si -","- C30 H35 N O2 Si -","- C240 H280 N8 O16 Si8 -","8","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.1235","0.0781","","","0.176","0.2004","","","","","","1.053","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109780","8.658","0.005","20.436","0.011","28.965","0.017","90","","90","","90","","5125","5","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 N2 O4 -","- C28 H38 N2 O4 -","- C224 H304 N16 O32 -","8","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.43321","synchrotron","","0.1937","0.1178","","","0.2739","0.3285","","","","","","0.993","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109808","17.59","0.001","17.765","0.001","19.847","0.002","90","","90","","90","","6201.9","0.8","293","","273.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","Fe(PS3*)(NO)","tris(3-phenyl-2-phenylthiolate)phosphine Iron nitrosyl","","- C36 H24 Fe N O P S3 -","- C36 H24 Fe N O P S3 -","- C288 H192 Fe8 N8 O8 P8 S24 -","8","1","","Jeanet Conradie; Duncan A. Quarless; Hua-Fen Hsu; Todd C. Harrop; Stephen J. Lippard; Stephen A. Koch; Abhik Ghosh","Electronic Structure and FeNO Conformation of Nonheme Iron-Thiolate-NO Complexes: An Experimental and DFT Study","Journal of the American Chemical Society","2007","129","","10446","10456","10.1021/ja0719982","","x-ray","0.7107","MoKalpha","","","0.0406","","","0.0242","","","","","2.237","2.237","","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109824","14.2616","0.0004","16.1525","0.0005","16.4867","0.0005","90","","90","","90","","3797.9","0.2","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Co3 O16 -","- C22 H12 Co3 O16 -","- C88 H48 Co12 O64 -","4","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.6713","synchrotron","","0.0363","0.0315","","","0.0994","0.1019","","","","","","0.923","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109825","15.425","0.002","12.1842","0.0016","16.059","0.002","90","","90","","90","","3018.1","0.7","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Co1.3 Li1.4 N4 O12 -","- C29 H25 Co1.3 Li1.4 N4 O12 -","- C116 H100 Co5.2 Li5.6 N16 O48 -","4","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.71073","MoKα","","0.1091","0.0882","","","0.2111","0.2199","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109831","20.2511","0.0005","16.419","0.0004","28.0348","0.0007","90","","90","","90","","9321.6","0.4","98","2","98","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C39 H75 Al B Br Cl3 N P2 Pt Si -","- C39 H75 Al B Br Cl3 N P2 Pt Si -","- C312 H600 Al8 B8 Br8 Cl24 N8 P16 Pt8 Si8 -","8","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Achim Schneider; Fabian Seeler","Reactivity of a Platinum Iminoboryl Complex toward Lewis and Brønsted Acids","Journal of the American Chemical Society","2007","129","","10350","10351","10.1021/ja0742636","","","0.71073","MoKα","","0.0215","0.0163","","","0.0391","0.0429","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109836","9.9385","0.0004","18.2555","0.0007","18.91","0.0007","90","","90","","90","","3430.9","0.2","90","1","90","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","C20H30O3","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","1","","Joachim Nikolai; Øystein Loe; Paulina M. Dominiak; Oksana O. Gerlitz; Jochen Autschbach; Huw M. L. Davies","Mechanistic Studies of UV Assisted [4 + 2] Cycloadditions in Synthetic Efforts toward Vibsanin E","Journal of the American Chemical Society","2007","129","","10763","10772","10.1021/ja072090e","","","0.71073","MoKα","","0.0531","0.0392","","","0.0945","0.109","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109904","14.404","0.01","31","0.02","31.23","0.02","90","","90","","90","","13945","16","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB10-diamine diiodide hydrate","","","- C86 H168 I2 N52 O62 -","- C86 H88 I2 N52 O22 -","- C344 H352 I8 N208 O88 -","4","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.147","0.1282","","","0.2711","0.2809","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109905","14.1949","0.0006","31.3303","0.0012","31.2811","0.0012","90","","90","","90","","13911.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB10","","","- C86 H145 I2 N54 O47.5 -","- C86 H90 I2 N54 O47.5 -","- C344 H360 I8 N216 O190 -","4","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.0995","0.0792","","","0.1565","0.1625","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109929","24.367","0.002","8.1958","0.0007","30.325","0.003","90","","90","","90","","6056.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H32 O4 -","- C40 H32 O4 -","- C320 H256 O32 -","8","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.0999","0.0506","","","0.1099","0.1265","","","","","","0.85","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109997","10.0635","0.0006","17.306","0.001","18.661","0.001","90","","90","","90","","3250","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 N2 O4 Ti -","- C12 H28 N2 O4 Ti -","- C96 H224 N16 O32 Ti8 -","8","1","","Michal Shavit; Dani Peri; Cesar M. Manna; Jacob S. Alexander; Edit Y. Tshuva","Active Cytotoxic Reagents Based on Non-metallocene Non-diketonato Well-Defined C2-Symmetrical Titanium Complexes of Tetradentate Bis(phenolato) Ligands","Journal of the American Chemical Society","2007","129","","12098","12099","10.1021/ja0753086","","","0.71073","MoKα","","0.0394","0.0382","","","0.0986","0.0996","","","","","","1.13","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110060","15.0967","0.0007","16.03","0.0008","31.8146","0.0015","90","","90","","90","","7699.1","0.6","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_5","","","- C34 H60 Hf2 N6 -","- C34 H60 Hf2 N6 -","- C272 H480 Hf16 N48 -","8","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0342","0.0224","","","0.0492","0.0547","","","","","","0.998","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110072","13.901","0.0002","20.785","0.0006","35.331","0.0009","90","","90","","90","","10208.3","0.4","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(1-Adamantyl)-1,1,2-tris(tri-tert-butylsilyl)- 1,2-disilacycloprop-2-ene","","- C47 H96 Si5 -","- C47 H96 Si5 -","- C376 H768 Si40 -","8","1","","Masayasu Igarashi; Masaaki Ichinohe; Akira Sekiguchi","Air-Stable Disilacyclopropene with a SiC Bond and Its Conversion to Disilacyclopropenylium Ion: Silicon-Carbon Hybrid 2π-Electron Systems","Journal of the American Chemical Society","2007","129","","12660","12661","10.1021/ja075740n","","","0.7107","MoKα","","0.0823","0.0564","","","0.1634","0.1819","","","","","","1.006","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110231","12.3765","0.0019","22.114","0.003","56.385","0.009","90","","90","","90","","15432","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","guanidinium 4-tert-butylbenzenesulfonate","","","- C11 H19.8 N3 O3.4 S -","- C11 H19.8 N3 O3.4 S -","- C440 H792 N120 O136 S40 -","40","5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.2184","0.1318","","","0.2782","0.3244","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110233","14.501","0.005","12.686","0.005","47.584","0.005","90","","90","","90","","8754","5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N3 O3 S -","- C10 H15.8333 N3 O3 S -","- C240 H380 N72 O72 S24 -","24","3","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.1042","0.0755","","","0.2108","0.2236","","","","","","1.111","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110256","6.8384","0.0001","14.49","0.0002","23.5088","0.0004","90","","90","","90","","2329.45","0.06","20","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C120 H80 O40 -","8","1","","Eric J. Yearley; Elizabeth A. Zhurova; Vladimir V. Zhurov; A. Alan Pinkerton","Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study","Journal of the American Chemical Society","2007","129","","15013","15021","10.1021/ja075211j","","","0.71073","MoKα","","","0.0175","","","","0.0323","","","","","","1.0211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110288","27.596","0.006","13.69","0.003","45.419","0.009","90","","90","","90","","17159","6","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78.39 H56 I6 N16 O10 Zn3 -","- C78.379 H56 I6 N16 O10 Zn3 -","- C627.032 H448 I48 N128 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.689","synchrotron","","0.0778","0.0529","","","0.142","0.1539","","","","","","0.957","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110289","27.123","0.004","13.6817","0.0018","45.995","0.006","90","","90","","90","","17068","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79 H60 I6 N16 O10 Zn3 -","- C79 H60 I6 N16 O10 Zn3 -","- C632 H480 I48 N128 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0811","0.0382","","","0.0742","0.0867","","","","","","1.03","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110290","27.122","0.004","13.692","0.002","45.963","0.007","90","","90","","90","","17069","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H57 I6 N17 O8 Zn3 -","- C78 H57 I6 N17 O8 Zn3 -","- C624 H456 I48 N136 O64 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0775","0.0455","","","0.0946","0.1077","","","","","","1.041","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110291","27.286","0.003","13.6997","0.0017","45.829","0.006","90","","90","","90","","17131","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.82 H58.51 I6 N17.3 O8.59 Zn3 -","- C78.18 H57.152 I6 N17.032 O8.066 Zn3 -","- C625.44 H457.216 I48 N136.256 O64.528 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0865","0.0709","","","0.1579","0.1651","","","","","","1.158","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110292","27.424","0.003","13.7934","0.0014","45.907","0.005","90","","90","","90","","17365","3","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H55 I6 N17 O10 Zn3 -","- C78 H55 I6 N17 O10 Zn3 -","- C624 H440 I48 N136 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0761","0.05","","","0.1286","0.1444","","","","","","0.98","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110293","27.881","0.006","13.675","0.003","45.714","0.009","90","","90","","90","","17429","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.2 H79.4 I6 N13 O2 Zn3 -","- C80.082 H81.164 I6 N13 O2 Zn3 -","- C640.656 H649.312 I48 N104 O16 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0697","0.048","","","0.1124","0.1228","","","","","","1.101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110294","27.449","0.004","13.707","0.002","45.248","0.007","90","","90","","90","","17024","4","82","2","82","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H84 I6 N12 O5.07 Zn3 -","- C75 H84 I6 N12 O5.118 Zn3 -","- C600 H672 I48 N96 O40.944 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.1122","0.0645","","","0.1578","0.1811","","","","","","1.12","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110295","27.59","0.006","13.673","0.003","45.606","0.009","90","","90","","90","","17204","6","82","2","82","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.19 H90.83 I6 N12 O3.22 Zn3 -","- C79.371 H91.356 I6 N12 O3.307 Zn3 -","- C634.968 H730.848 I48 N96 O26.456 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0847","0.0442","","","0.0917","0.107","","","","","","1.007","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110297","7.6498","0.0004","16.9929","0.001","27.4065","0.0017","90","","90","","90","","3562.6","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O2 Si -","- C19 H24 O2 Si -","- C152 H192 O16 Si8 -","8","1","","Jhih-Meng Tang; Sabyasachi Bhunia; Shariar Md. Abu Sohel; Ming-Yuan Lin; Hsin-Yi Liao; Swarup Datta; Arindam Das; Rai-Shung Liu","The Skeletal Rearrangement of Gold- and Platinum-Catalyzed Cycloisomerization of cis-4,6-Dien-1-yn-3-ols: Pinacol Rearrangement and Formation of Bicyclo[4.1.0]heptenone and Reorganized Styrene Derivatives","Journal of the American Chemical Society","2007","129","","15677","15683","10.1021/ja076175r","","","0.71073","MoKα","","0.0826","0.0514","","","0.1438","0.1893","","","","","","1.131","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110333","11.2787","0.0002","8.8934","0.0002","16.4636","0.0003","90","","90","","90","","1651.4","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O3 S -","- C8 H8 O3 S -","- C64 H64 O24 S8 -","8","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0434","0.0372","","","0.0954","0.0997","","","","","","1.004","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110340","16.101","0.005","17.766","0.005","20.42","0.005","90","0.005","90","0.005","90","0.005","5841","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{hydrotris(3-isopropylpyrazol-1-yl)borato}- (2-mercaptonaphthalato)oxomolybdenum(V)","","- C28 H34 B Cl0 Mo N6 O2 S -","- C28 H34 B Mo N6 O2 S -","- C224 H272 B8 Mo8 N48 O16 S8 -","8","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0998","0.0512","","","0.1022","0.1724","","","","","","1.647","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110420","17.939","0.004","15.43","0.003","21.338","0.004","90","","90","","90","","5906","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Co F12 N4 O3 P2 -","- C24 H25 Co F12 N4 O3 P2 -","- C192 H200 Co8 F96 N32 O24 P16 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1405","0.0417","","","0.0649","0.0812","","","","","","0.565","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110421","17.945","0.01","7.785","0.004","43.07","0.03","90","","90","","90","","6017","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis{1-(pyridin-4-yl)-2- [2-(N-methylpyrrol-5-yl)]ethane}methane","","","- C19 H17 N3 -","- C19 H17 N3 -","- C304 H272 N48 -","16","2","","Antonio Facchetti; Luca Beverina; Milko E. van der Boom; Pulak Dutta; Guennadi Evmenenko; Atindra D. Shukla; Charlotte E. Stern; Giorgio A. Pagani; Tobin J. Marks","Strategies for Electrooptic Film Fabrication. Influence of Pyrrole-Pyridine-Based Dibranched Chromophore Architecture on Covalent Self-Assembly, Thin-Film Microstructure, and Nonlinear Optical Response","Journal of the American Chemical Society","2006","128","","2142","2153","10.1021/ja057556c","","","0.71073","MoKα","","0.2328","0.0655","","","0.1718","0.2285","","","","","","0.89","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110434","30.008","0.007","8.4","0.004","7.701","0.003","90","","90","","90","","1941.2","1.3","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Se2 -","- C26 H16 Se2 -","- C104 H64 Se8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo","2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor","Journal of the American Chemical Society","2006","128","","3044","3050","10.1021/ja057641k","","","0.7107","MoKα","","","0.0429","","","","0.1689","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110444","18.2932","0.0009","9.5539","0.0005","24.9971","0.0012","90","","90","","90","","4368.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)","","- C14 H18 Bi F6 O8 Rh -","- C14 H18 Bi F6 O8 Rh -","- C112 H144 Bi8 F48 O64 Rh8 -","8","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0231","0.0199","","","0.0437","0.0447","","","","","","1.067","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110493","17.2416","0.0003","12.1588","0.0003","29.5145","0.0005","90","","90","","90","","6187.3","0.2","277.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 F8 N4 Pd2 -","- C22 H36 B2 F8.5 N4 Pd2 -","- C176 H288 B16 F68 N32 Pd16 -","8","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0359","","","","0.0401","","","","","","0.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110562","7.106","0.003","13.015","0.003","37.427","0.016","90","","90","","90","","3461","2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H4 F10 S2 -","- C20 H4 F10 S2 -","- C160 H32 F80 S16 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1158","0.0501","","","0.1204","0.1583","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110563","7.2771","0.0016","12.8839","0.0015","29.459","0.005","90","","90","","90","","2762","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H2 F10 S -","- C16 H2 F10 S -","- C128 H16 F80 S8 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0623","0.0388","","","0.0918","0.104","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110668","17.3","0.004","18.041","0.004","46.692","0.009","90","","90","","90","","14573","5","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C89 H62 Cl6 N2 P2 Pt2 -","- C89 H62 Cl6 N2 P2 Pt2 -","- C712 H496 Cl48 N16 P16 Pt16 -","8","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0888","0.0457","","","0.1267","0.1742","","","","","","1.114","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110697","16.442","0.001","16.5926","0.001","22.4396","0.0014","90","","90","","90","","6121.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Cl2 N2 Ru -","- C30 H34 Cl2 N2 Ru -","- C240 H272 Cl16 N16 Ru8 -","8","1","","Donde R. Anderson; Daniel D. Hickstein; Daniel J. O'Leary; Robert H. Grubbs","Model Compounds of Ruthenium-Alkene Intermediates in Olefin Metathesis Reactions","Journal of the American Chemical Society","2006","128","","8386","8387","10.1021/ja0618090","","","0.71073","MoKα","","0.1032","0.0477","","","0.0656","0.068","","","","","","1.507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110708","11.1322","0.0007","17.1778","0.0012","24.5691","0.0018","90","","90","","90","","4698.3","0.6","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 B7 O P2 Re -","- C16 H32 B7 O P2 Re -","- C128 H256 B56 O8 P16 Re8 -","8","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0571","0.0273","","","0.0455","0.0517","","","","","","0.841","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110733","11.5677","0.0002","20.2995","0.0003","27.9851","0.0006","90","","90","","90","","6571.4","0.2","200","","200","","","","","","","","local","6","P b c a","-P 2ac 2ab","61","","","","- C17 H28.98 B11 Br6.02 Cl2 O2 -","- C17 H28.981 B11 Br6.0194 Cl2 O2 -","- C136 H231.848 B88 Br48.1552 Cl16 O16 -","8","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0771","0.0321","","0.0716","0.0655","0.0716","","","","","","0.7283","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110773","18.183","0.003","20.6485","0.0017","21.68","0.003","90","","90","","90","","8139.8","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H59 F3 N2 O3 S Si2 -","- C38 H59 F3 N2 O3 S Si2 -","- C304 H472 F24 N16 O24 S8 Si16 -","8","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","","0.71073","MoKα","","0.1042","0.0651","","","0.1069","0.1171","","","","","","1.098","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110841","15.461","0.0005","14.468","0.0006","20.536","0.0011","90","","90","","90","","4593.7","0.3","130","2","130","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ADIT_OX_Zn","ADIT_OX_Zn","","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C112 H240 Cl24 Fe8 N32 O8 S16 Zn8 -","8","1","","Priscilla Lugo-Mas; Abhishek Dey; Liang Xu; Steven D. Davin; Jason Benedict; Werner Kaminsky; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Julie A. Kovacs","How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate","Journal of the American Chemical Society","2006","128","","11211","11221","10.1021/ja062706k","","","0.71073","MoKα","","0.1452","0.0466","","","0.06","0.0734","","","","","","1.001","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110849","16.6596","0.0005","13.408","0.0006","20.9886","0.0009","90","","90","","90","","4688.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 O5 -","- C22 H36 B2 O5 -","- C176 H288 B16 O40 -","8","1","","David S. Laitar; Emily Y. Tsui; Joseph P. Sadighi","Catalytic Diboration of Aldehydes via Insertion into the Copper-Boron Bond","Journal of the American Chemical Society","2006","128","","11036","11037","10.1021/ja064019z","","","0.71073","MoKα","","0.0696","0.0603","","","0.1571","0.1655","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110889","8.2632","0.0011","13.7649","0.0017","19.649","0.003","90","","90","","90","","2234.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pt -","- C11 H17 Cl O Pt -","- C88 H136 Cl8 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0386","0.0278","","","0.0566","0.0596","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110891","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110999","9.9734","0.0003","24.3803","0.0007","16.6163","0.0004","90","","90","","90","","4040.33","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C19 H37 N2 P -","- C19 H37 N2 P -","- C152 H296 N16 P8 -","8","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0823","0.0557","","","0.1356","0.1534","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111032","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Ian Manners","Reactions of P-Donor Ligands with N-Silyl(halogeno)organophosphoranimines: Formation of Cations with P-P Coordination Bonds and Poly(alkyl/aryl)phosphazenes at Ambient Temperature","Journal of the American Chemical Society","2006","128","","14002","14003","10.1021/ja063979i","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111035","17.444","0.003","16.079","0.003","20.064","0.004","90","","90","","90","","5627.6","1.8","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H78 La2 N4 O2 -","- C64 H78 La2 N4 O2 -","- C256 H312 La8 N16 O8 -","4","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller; Nikolas Kaltsoyannis","Trivalent [(C5Me5)2(THF)Ln]2(μ-η2:η2-N2) Complexes as Reducing Agents Including the Reductive Homologation of CO to a Ketene Carboxylate, (μ-η4-O2CCCO)2-","Journal of the American Chemical Society","2006","128","","14176","14184","10.1021/ja0640851","","","0.71073","MoKα","","0.0337","0.0201","","","0.042","0.05","","","","","","1.089","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111039","25.214","0.006","13.624","0.004","40.469","0.009","90","","90","","90","","13902","6","90","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H32 F12 N6 Ni O2 P2 -","- C28 H32 F12 N6 Ni O2 P2 -","- C448 H512 F192 N96 Ni16 O32 P32 -","16","2","","Keita Osanai; Atsushi Okazawa; Takashi Nogami; Takayuki Ishida","Strong Ferromagnetic Exchange Couplings in Copper(II) and Nickel(II) Complexes with a Paramagnetic Tridentate Chelate Ligand, 2,2'-Bipyridin-6-yl tert-Butyl Nitroxide","Journal of the American Chemical Society","2006","128","","14008","14009","10.1021/ja065623c","","","1.54178","CuKα","","","0.0569","","","","0.0562","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111047","17.136","0.005","7.522","0.002","18.116","0.006","90","","90","","90","","2335.1","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 N2 O7 P2 -","- C7 H14 N2 O7 P2 -","- C56 H112 N16 O56 P16 -","8","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0815","0.0479","","","0.1077","0.1175","","","","","","0.998","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111144","15.233","0.0016","13.7399","0.0014","25.621","0.003","90","","90","","90","","5362.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Me3NN]Cu(CNBut)","","","- C28 H38 Cu N3 -","- C28 H38 Cu N3 -","- C224 H304 Cu8 N24 -","8","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.0502","0.0329","","","0.0923","0.0991","","","","","","1.093","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111201","13.76","0.006","14.269","0.006","16.488","0.007","90","","90","","90","","3237","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O5 S -","- C15 H16 N4 O5 S -","- C120 H128 N32 O40 S8 -","8","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.045","0.041","","","0.1153","0.1181","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111211","22.865","0.0018","18.6091","0.0014","29.1411","0.0019","90","","90","","90","","12399.5","1.6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C504 H528 B56 Fe16 Ir8 N16 O40 P16 -","8","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0839","0.0398","","","0.0649","0.0783","","","","","","1.019","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111344","18.0285","0.0003","16.6735","0.0003","21.7549","0.0004","90","","90","","90","","6539.5","0.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H31 Cl2 O P2 Re -","- C36 H31 Cl2 O P2 Re -","- C288 H248 Cl16 O8 P16 Re8 -","8","1","","Guodong Du; Phillip E. Fanwick; Mahdi M. Abu-Omar","Mechanistic Insight into Hydrosilylation Reactions Catalyzed by High Valent Re\τbX (X = O, NAr, or N) Complexes: The Silane (SiH) Does Not Add across the Metal-Ligand Multiple Bond","Journal of the American Chemical Society","2007","129","","5180","5187","10.1021/ja068872+","","","0.71073","MO-Kα","","0.092","0.055","","","0.146","0.163","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111399","21.367","0.006","19.888","0.005","23.787","0.006","90","","90","","90","","10108","5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H28 Br2 N2 -","- C13 H28 Br2 N2 -","- C312 H672 Br48 N48 -","24","3","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.1012","0.0696","","","0.1619","0.1806","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111451","16.027","0.004","14.913","0.004","23.619","0.008","90","","90","","90","","5645","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BiCych-18-crown-6 K * DNB","Bis(cyclohexano)-18-crown-6 potassium dinitrobenzene","","- C26 H40 K N2 O10 -","- C26 H40 K N2 O10 -","- C208 H320 K8 N16 O80 -","8","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.1355","0.0492","","","0.0971","0.1114","","","","","","0.762","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111468","14.4356","0.0004","15.5402","0.0003","25.6347","0.0006","90","","90","","90","","5750.7","0.2","116.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N Zr -","- C37 H39 N Zr -","- C296 H312 N8 Zr8 -","8","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0381","","","","0.0428","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111475","11.154","0.001","24.671","0.003","35.434","0.006","90","","90","","90","","9751","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H50 Cl2 Os P2 -","- C59 H50 Cl2 Os P2 -","- C472 H400 Cl16 Os8 P16 -","8","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.143","0.059","","","0.1126","0.1426","","","","","","1.009","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111501","12.0824","0.0002","21.391","0.0002","34.5673","0.0005","90","","90","","90","","8934.1","0.2","150","","150","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl4 F6 N4 P Rh -","- C44 H52 Cl4 F6 N4 P Rh -","- C352 H416 Cl32 F48 N32 P8 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.1039","0.0513","","0.0961","0.059","0.059","","","","","","1.1105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111511","17.8355","0.0009","16.9486","0.0009","19.1715","0.001","90","","90","","90","","5795.3","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Ir N4 -","- C28 H44 Cl Ir N4 -","- C224 H352 Cl8 Ir8 N32 -","8","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0789","0.0707","","","0.1219","0.1247","","","","","","1.24","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111516","7.3528","0.0001","8.1884","0.0001","28.6857","0.0005","90","","90","","90","","1727.1","0.04","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.065","","","","0.1821","","","","","","1.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111517","7.264","0.003","8.432","0.002","36.215","0.007","90","","90","","90","","2218.2","1.1","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 S2 -","- C32 H18 S2 -","- C128 H72 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0405","","","","0.1539","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111565","15.5367","0.0012","21.1012","0.0016","25.2473","0.0019","90","","90","","90","","8277.2","1.1","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Fe N4 Na O6 -","- C40 H60 Fe N4 Na O6 -","- C320 H480 Fe8 N32 Na8 O48 -","8","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0962","0.0962","","","0.1867","0.1867","","","","","","1.479","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111570","29.26","0.005","20.671","0.005","40.344","0.008","90","","90","","90","","24401","9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C82 H184 O48 Ti16 -","- C82 H184 O48 Ti16 -","- C656 H1472 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71073","MoKα","","0.1223","0.0656","","","0.1042","0.1114","","","","","","0.978","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111571","29.765","0.01","21.014","0.016","40.2","0.02","90","","90","","90","","25144","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H192 O48 Ti16 -","- C85.999 H74 O48 Ti16 -","- C687.992 H592 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71069","MoKα","","0.1268","0.0684","","","0.1584","0.1749","","","","1.9","1.9","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111572","14.6284","0.0011","14.136","0.0011","15.2538","0.0012","90","","90","","90","","3154.3","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Co(depa)Cl2","","","- C14 H17 Cl2 Co N3 -","- C14 H17 Cl2 Co N3 -","- C112 H136 Cl16 Co8 N24 -","8","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0328","0.0264","","","0.0694","0.075","","","","","","1.034","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111634","11.1163","0.0006","9.5844","0.0005","23.1449","0.0013","90","","90","","90","","2465.9","0.2","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 O3 P -","- C14 H11 O3 P -","- C112 H88 O24 P8 -","8","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0411","0.0384","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4111733","19.3","0.004","9.2553","0.0018","25.467","0.005","90","","90","","90","","4549.1","1.6","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 B N4 -","- C30 H26 B N4 -","- C240 H208 B8 N32 -","8","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0788","0.0443","","","0.0948","0.1209","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111740","17.983","0.007","26.93","0.01","28.196","0.01","90","","90","","90","","13655","9","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H8 Au2 Cl2 F30 N6 -","- C74 H8 Au2 Cl2 F30 N6 -","- C592 H64 Au16 Cl16 F240 N48 -","8","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71073","MoKα","","0.076","0.0507","","","0.1277","0.1451","","","","","","1.081","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111814","17.3267","0.0013","7.2617","0.0005","21.9512","0.0016","90","","90","","90","","2761.9","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.0777","0.048","","","0.101","0.1103","","","","","","0.905","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111827","13.95","0.0013","19.151","0.0018","22.413","0.002","90","","90","","90","","5987.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H43 B2 N3 -","- C34 H43 B2 N3 -","- C272 H344 B16 N24 -","8","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0814","0.0482","","","0.1149","0.1324","","","","","","1.021","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111833","7.5058","0.0015","7.7076","0.0015","22.691","0.005","90","","90","","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2A4MP","2-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0419","0.039","","","0.108","0.1112","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111850","15.584","0.003","32.374","0.004","15.4767","0.0016","90","","90","","90","","7808","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Fe N4 Na2 O6 -","- C32 H56 B2 Fe N4 Na2 O6 -","- C256 H448 B16 Fe8 N32 Na16 O48 -","8","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1884","0.0737","","","0.1491","0.1917","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111866","7.6184","0.0006","9.5951","0.0007","17.0181","0.0009","90","","90","","90","","1244.01","0.15","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C9 H8 -","- C9 H8 -","- C72 H64 -","8","1","","Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf","An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling","Journal of the American Chemical Society","2005","127","","11582","11583","10.1021/ja051930r","","","0.71069","MoKα","","0.1106","0.0671","","","0.1599","0.1953","","","","","","1.071","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111879","13.389","0.002","20.618","0.004","9.686","0.002","90","","90","","90","","2673.9","0.9","297.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C104 H144 N16 O24 -","8","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0448","","","","0.1658","","","","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111983","11.736","0.003","16.546","0.004","24.984","0.005","90","","90","","90","","4851","2","297","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C32 H32 -","- C32 H32 -","- C256 H256 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.1009","0.0514","","","0.116","0.1391","","","","","","1.002","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111984","11.8625","0.0006","16.636","0.0008","25.452","0.001","90","","90","","90","","5022.8","0.4","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0753","0.0474","","","0.1017","0.1132","","","","","","1.032","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112079","18.3245","0.0011","12.7484","0.0007","20.575","0.0012","90","","90","","90","","4806.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C136 H224 Cl16 N16 Ni8 O32 S16 W8 -","8","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0701","0.049","","","0.1078","0.1151","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112144","8.954","0.002","10.807","0.002","22.464","0.008","90","","90","","90","","2173.7","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Se -","- C9 H12 N4 Se -","- C72 H96 N32 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.12","0.0694","","0.2273","0.1727","","","","1.075","1.063","1.063","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112145","8.174","0.002","10.957","0.003","23.736","0.006","90","","90","","90","","2125.9","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 I N Se -","- C9 H12 I N Se -","- C72 H96 I8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.0293","0.0232","","0.0611","0.0579","","","","1.095","1.121","1.121","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112146","7.723","0.002","10.9085","0.0011","23.556","0.006","90","","90","","90","","1984.5","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl N Se -","- C9 H12 Cl N Se -","- C72 H96 Cl8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.053","0.0377","","0.1182","0.1054","","","","1.093","1.138","1.138","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112157","13.8689","0.0007","8.0185","0.0004","20.0898","0.0011","90","","90","","90","","2234.1","0.2","123","2","123","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","1,4-bis(phenothiazin-10-yl)benzene","","- C30 H20 N2 S2 -","- C30 H20 N2 S2 -","- C120 H80 N8 S8 -","4","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0458","0.0408","","0.1189","0.1079","","","","1.055","1.062","1.062","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112180","12.5095","0.0009","13.2254","0.001","20.9777","0.0016","90","","90","","90","","3470.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F3 N -","- C20 H21 B F3 N -","- C160 H168 B8 F24 N8 -","8","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0848","0.0451","","","0.094","0.1111","","","","","","1.009","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112281","17.0807","0.0013","12.3173","0.001","19.5782","0.0015","90","","90","","90","","4119","0.6","96","2","96","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl Cu N S2 -","- C20 H26 Cl Cu N S2 -","- C160 H208 Cl8 Cu8 N8 S16 -","8","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0664","0.0381","","","0.0694","0.0753","","","","","","1.235","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112282","7.7325","0.001","15.6579","0.0013","35.803","0.002","90","","90","","90","","4334.8","0.7","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Al N2 O2 -","- C23 H33 Al N2 O2 -","- C184 H264 Al8 N16 O16 -","8","1","","Pimpa Hormnirun; Edward L. Marshall; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Remarkable Stereocontrol in the Polymerization of Racemic Lactide Using Aluminum Initiators Supported by Tetradentate Aminophenoxide Ligands","Journal of the American Chemical Society","2004","126","","2688","2689","10.1021/ja038757o","","","1.54178","CuKα","","0.0572","0.0451","","","0.1141","0.1202","","","","","","1.021","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112311","12.4683","0.0007","29.6664","0.0015","12.408","0.0005","90","","90","","90","","4589.6","0.4","297","2","297","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C12 H29 Cl2 N7 O10 Zn -","- C12 H29 Cl2 N7 O10.43 Zn -","- C96 H232 Cl16 N56 O83.44 Zn8 -","8","1","","Michael Subat; Andrew S. Borovik; Burkhard König","Synthetic Creatinine Receptor: Imprinting of a Lewis Acidic Zinc(II)cyclen Binding Site to Shape Its Molecular Recognition Selectivity","Journal of the American Chemical Society","2004","126","","3185","3190","10.1021/ja038980l","","","0.71073","MoKα","","0.0555","0.0469","","","0.1322","0.1386","","","","","","1.063","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112365","10.0868","0.0003","12.7692","0.0004","22.9818","0.0007","90","","90","","90","","2960.06","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O -","- C19 H24 O -","- C152 H192 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0735","0.0515","","","0.1471","0.1683","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112366","11.0402","0.0003","10.0777","0.0003","28.1303","0.0007","90","","90","","90","","3129.77","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O -","- C20 H26 O -","- C160 H208 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0734","0.0487","","","0.129","0.1445","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112368","7.957","0.0002","14.1777","0.0004","24.8445","0.0006","90","","90","","90","","2802.76","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O -","- C18 H22 O -","- C144 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.105","0.0551","","","0.1494","0.1743","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112383","18.3293","0.0001","17.9586","0.0004","20.499","0.0001","90","","90","","90","","6747.63","0.16","168","","168","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 P2 Si W -","- C35 H50 P2 Si W -","- C280 H400 P16 Si8 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0868","0.0234","","0.0366","0.0222","0.0222","","","","","","0.646","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112385","23.254","0.002","13.8095","0.0015","25.875","0.003","90","","90","","90","","8309.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipp*SnCH2parat-butylbenzyl)2.0.5hexane","","","- C89 H120 Sn2 -","- C88 H121 Sn2 -","- C352 H484 Sn8 -","4","0.5","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0877","0.0607","","","0.1607","0.1775","","","","","","0.949","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112609","27.3585","0.0014","26.8697","0.0015","29.4776","0.0016","90","","90","","90","","21669","2","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","1.Cl2.4.5CH2Cl2","","","- C112.5 H87 Au Cl11 N6 O0 P6 Pd Tl -","- C112.5 H87 Au Cl11 N6 P6 Pd Tl -","- C900 H696 Au8 Cl88 N48 P48 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0858","0.0593","","","0.167","0.1827","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112677","18.62","0.002","17.399","0.002","36.26","0.006","90","","90","","90","","11747","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 5","","","- C70 H70 B2 Co N6 -","- C70 H70 B2 Co N6 -","- C560 H560 B16 Co8 N48 -","8","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1407","0.0519","","","0.1142","0.1443","","","","","","1.01","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112736","15.0844","0.0018","11.137","0.002","27.709","0.005","90","0.003","90","0.003","90","0.003","4655","1.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cd F12 N2 O4 -","- C16 H18 Cd F12.018 N2 O4 -","- C128 H144 Cd8 F96.144 N16 O32 -","8","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0659","0.0593","","","0.1248","0.1292","","","","","","1.171","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112748","15.054","0.004","15.617","0.004","17.04","0.005","90","","90","","90","","4006.1","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H35 Cl N Rh -","- C19 H35 Cl N Rh -","- C152 H280 Cl8 N8 Rh8 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0397","0.0284","","","0.0676","0.0767","","","","","","1.076","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112778","8.569","0.0014","11.644","0.002","27.952","0.005","90","","90","","90","","2789","0.8","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 O2 S3 -","- C12 H20 O2 S3 -","- C96 H160 O16 S24 -","8","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1302","0.0742","","","0.1764","0.1951","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112884","11.8634","0.0009","6.4554","0.0005","17.1787","0.0013","90","","90","","90","","1315.6","0.17","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 N2 O2 S -","- C5 H4 N2 O2 S -","- C40 H32 N16 O16 S8 -","8","1","","Michael T. Ashby; Halikhedkar Aneetha","Reactive Sulfur Species: Aqueous Chemistry of Sulfenyl Thiocyanates","Journal of the American Chemical Society","2004","126","","10216","10217","10.1021/ja048585a","","","0.71073","MoKα","","0.0411","0.0389","","","0.1106","0.113","","","","","","1.051","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4112932","16.448","0.01","12.384","0.008","28.996","0.017","90","","90","","90","","5906","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H21 Fe N4 O2 S2 -","- C10 H21 Fe N4 O2 S2 -","- C160 H336 Fe16 N64 O32 S32 -","16","2","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.1546","0.0581","","","0.1219","0.1481","","","","","","0.868","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112980","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54.5 H82.5 Cl1.5 F N9 O7 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; David VanderVelde; Douglas Powell; Kristin Bowman-James","Fluoride-Facilitated Deuterium Exchange from DMSO-d6 to Polyamide-Based Cryptands","Journal of the American Chemical Society","2004","126","","12272","12273","10.1021/ja046078n","","","0.71073","MoKα","","0.0644","0.0533","","","0.1468","0.1543","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112989","16.404","0.003","13.744","0.003","16.728","0.003","90","","90","","90","","3771.4","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H34 B6 Cr P2 -","- C6 H34 B6 Cr P2 -","- C48 H272 B48 Cr8 P16 -","8","1","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0735","0.0349","","","0.074","0.0842","","","","","","0.936","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113002","13.811","0.002","7.1564","0.0011","15.092","0.002","90","","90","","90","","1491.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.1227","0.0482","","","0.0818","0.0954","","","","","","0.79","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113014","11.931","0.003","11.152","0.002","12.3422","0.0013","90","","90","","90","","1642.2","0.5","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 -","- C20 H24 Cl2 -","- C80 H96 Cl8 -","4","0.5","","Aswini K. Dash; Tryg R. Jensen; Charlotte L. Stern; Tobin J. Marks","Frustrated β-Chloride Elimination. Selective Arene Alkylation by α-Chloronorbornene Catalyzed by Electrophilic Metallocenium Ion Pairs","Journal of the American Chemical Society","2004","126","","12528","12540","10.1021/ja047828w","","","0.71073","MoKα","","0.0438","0.0381","","","0.1071","0.1134","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113042","20.723","0.006","15.213","0.004","28.909","0.008","90","","90","","90","","9114","4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H72 O4 P2 Ru2 S2 -","- C43 H72 O4 P2 Ru2 S2 -","- C344 H576 O32 P16 Ru16 S16 -","8","1","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.0623","0.0324","","","0.0625","0.068","","","","","","0.925","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113078","17.1829","0.0015","13.0958","0.0011","27.663","0.002","90","","90","","90","","6224.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Mo O4 P -","- C32 H39 Mo O4 P -","- C256 H312 Mo8 O32 P8 -","8","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1836","0.0651","","","0.1084","0.1428","","","","","","0.944","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113085","11.6076","0.0005","17.6809","0.0007","27.2021","0.0011","90","","90","","90","","5582.8","0.4","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl3 N3 O3 Ru -","- C31 H20 Cl3 N3 O3 Ru -","- C248 H160 Cl24 N24 O24 Ru8 -","8","1","","Howard Bregman; Douglas S. Williams; G. Ekin Atilla; Patrick J. Carroll; Eric Meggers","An Organometallic Inhibitor for Glycogen Synthase Kinase 3","Journal of the American Chemical Society","2004","126","","13594","13595","10.1021/ja046049c","","","0.71069","MoKα","","0.0508","0.0461","","","0.1225","0.1278","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113100","14.774","0.004","15.521","0.005","27.909","0.008","90","","90","","90","","6400","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C176 H336 Cl16 Fe8 O32 Si32 -","8","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.1744","0.1494","","","0.3007","0.3165","","","","","","1.178","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113168","14.6308","0.0003","17.4197","0.0004","32.8142","0.0003","90","","90","","90","","8363.2","0.3","163.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 P2 Re -","- C18 H39 P2 Re -","- C288 H624 P32 Re16 -","16","2","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0.0326","","","","0.0394","","","","","","1.559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113174","15.2398","0.0003","11.5499","0.0002","20.1497","0.0004","90","","90","","90","","3546.71","0.12","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c a","-P 2ac 2ab","61","IBiox5.HOTf","Dispiro(cyclopentane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclopentane) trifluoromethylsulfonate","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C128 H168 F24 N16 O40 S8 -","8","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0879","0.0591","","","0.1162","0.127","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113183","18.6063","0.0006","23.7325","0.0008","18.6074","0.0006","90","","90","","90","","8216.5","0.5","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Br4 S6 Si4 -","- C28 H36 Br4 S6 Si4 -","- C224 H288 Br32 S48 Si32 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.039","0.0303","","","0.0676","0.0716","","","","","","1.031","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113185","12.471","0.003","13.846","0.003","31.152","0.007","90","","90","","90","","5379","2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Br2 S7 Si2 -","- C22 H18 Br2 S7 Si2 -","- C176 H144 Br16 S56 Si16 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.082","0.0678","","","0.1379","0.1421","","","","","","1.31","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113318","9.2545","0.0007","18.09","0.002","23.917","0.002","90","","90","","90","","4004","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","2","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.1026","0.056","","","0.1262","0.1531","","","","","","1.014","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113387","20.2596","0.0006","17.7356","0.0006","33.4617","0.0011","90","","90","","90","","12023.3","0.7","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C71 H69 B Fe P4 -","- C71 H69 B Fe P4 -","- C568 H552 B8 Fe8 P32 -","8","1","","Steven D. Brown; Theodore A. Betley; Jonas C. Peters","A Low-Spin d5 Iron Imide: Nitrene Capture by Low-Coordinate Iron(I) Provides the 4-Coordinate Fe(III) Complex [PhB(CH2PPh2)3]Fe\τbN-p-tolyl","Journal of the American Chemical Society","2003","125","","322","323","10.1021/ja028448i","","","0.71073","MoKα","","0.1078","0.0713","","","0.117","0.119","","","","","","3.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113393","16.331","0.003","17.298","0.004","17.968","0.004","90","","90","","90","","5075.8","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(cyclopentadienyl)(2,6-diisopropylphenylimido)(trimethylphosphine) (dimethylchlorosilyl)(hydrido) tantalum (V)","","- C21 H35 Cl2 N P Si Ta -","- C18.44 H28.77 Cl1.431 N0.9 P0.83 Si0.81 Ta0.84 -","- C147.52 H230.16 Cl11.448 N7.2 P6.64 Si6.48 Ta6.72 -","8","1","","Stuart R. Dubberley; Stanislav K. Ignatov; Nicholas H. Rees; Alexei G. Razuvaev; Philip Mountford; Georgii I. Nikonov","Are J(Si-H) NMR Coupling Constants Really a Probe for the Existence of Nonclassical H-Si Interactions?","Journal of the American Chemical Society","2003","125","","642","643","10.1021/ja027935v","","","0.71073","MoKα","","0.0441","0.0349","","","0.0955","0.1008","","","","","","0.998","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113403","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113409","19.0283","0.001","18.9544","0.001","21.4819","0.0011","90","","90","","90","","7747.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Br4 Os P2 -","- C42 H34 Br4 Os P2 -","- C336 H272 Br32 Os8 P16 -","8","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.0395","0.0276","","","0.0569","0.0601","","","","","","1.037","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113471","17.1043","0.0005","19.7079","0.0006","22.3659","0.0008","90","","90","","90","","7539.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 B F20 N Pb -","- C36 H22 B F20 N Pb -","- C288 H176 B8 F160 N8 Pb8 -","8","1","","Thomas Müller; Christian Bauch; Markus Ostermeier; Michael Bolte; Norbert Auner","Norbornyl Cations of Group 14 Elements","Journal of the American Chemical Society","2003","125","","2158","2168","10.1021/ja021234g","","","0.71073","MoKα","","0.0592","0.0353","","","0.078","0.0844","","","","","","1.021","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113551","8.483","0.001","12.444","0.002","51.98","0.01","90","","90","","90","","5487.1","1.5","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 S6 -","- C30 H20 N2 S6 -","- C240 H160 N16 S48 -","8","1","","Bruno Jousselme; Philippe Blanchard; Nuria Gallego-Planas; Jacques Delaunay; Magali Allain; Pascal Richomme; Eric Levillain; Jean Roncali","Photomechanical Actuation and Manipulation of the Electronic Properties of Linear π-Conjugated Systems","Journal of the American Chemical Society","2003","125","","2888","2889","10.1021/ja029754z","","","0.71073","Mo-Kα","","0.173","0.045","","0.18","","0.065","","","3.076","","","1.213","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113580","9.291","0.006","10.469","0.007","13.489","0.008","90","","90","","90","","1312","1.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.0996","0.0614","","","0.1286","0.1421","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113581","8.412","0.002","9.589","0.002","28.063","0.007","90","","90","","90","","2263.6","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C80 H152 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1039","0.0514","","","0.1006","0.1152","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113582","8.3774","0.0017","9.7376","0.0019","41.525","0.008","90","","90","","90","","3387.4","1.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C128 H248 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1307","0.0601","","","0.113","0.1299","","","","","","0.933","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113626","7.4603","0.0001","18.4567","0.0003","20.7189","0.0005","90","","90","","90","","2852.84","0.09","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Mark Lautens; Wooseok Han; Jack Hung-Chang Liu","MgI2-Mediated Ring Expansions of Secondary Methylenecyclopropyl Amides","Journal of the American Chemical Society","2003","125","","4028","4029","10.1021/ja028967l","","","0.71073","MoKα","","0.0506","0.0376","","","0.0904","0.0983","","","","","","1.016","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113644","16.45","0.004","24.882","0.005","14.521","0.002","90","","90","","90","","5944","2","298.2","","298.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H12 Cl4 F10 N2 O2 Ti -","- C27 H12 Cl4 F10 N2 O2 Ti -","- C216 H96 Cl32 F80 N16 O16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Takashi Nakano; Hidetsugu Tanaka; Terunori Fujita","Syndiospecific Living Propylene Polymerization Catalyzed by Titanium Complexes Having Fluorine-Containing Phenoxy-Imine Chelate Ligands","Journal of the American Chemical Society","2003","125","","4293","4305","10.1021/ja029560j","","","0.7107","MoKα","","0.0483","0.0483","","","0.0649","0.0649","","","","","","1.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113662","21.039","0.004","9.6447","0.0019","43.486","0.009","90","","90","","90","","8824","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H62 Cl4 N14 P6 -","- C26 H62 Cl4 N14 P6 -","- C208 H496 Cl32 N112 P48 -","8","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.1789","0.0675","","","0.1191","0.1508","","","","","","0.949","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113716","9.4259","0.0006","17.4816","0.0009","30.462","0.002","90","","90","","90","","5019.5","0.5","273.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F6 Mn N4 O6 S2 -","- C18 H22 F6 Mn N4 O6 S2 -","- C144 H176 F48 Mn8 N32 O48 S16 -","8","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.036","","","","0.095","","","","","","0.686","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113742","15.693","0.002","20.271","0.003","24.076","0.003","90","","90","","90","","7658.9","1.8","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H45 Cs O9 -","- C45 H41 Cs O9 -","- C360 H328 Cs8 O72 -","8","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1982","0.1039","","","0.229","0.2912","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113795","7.179","0.001","6.946","0.001","18.913","0.004","90","","90","","90","","943.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 N Te Zn -","- C H5 N Te Zn -","- C8 H40 N8 Te8 Zn8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0585","0.0447","","","0.1141","0.1221","","","","","","1.07","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113796","7.09494","0.00033","6.79535","0.00032","16.7212","0.0008","90","","90","","90","","806.17","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Cd N Se -","- C H4 Cd N Se -","- C8 H32 Cd8 N8 Se8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.09648","","0.94","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113819","17.5088","0.0013","17.0833","0.0012","40.472","0.003","90","","90","","90","","12105.5","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H18 F9 Ir N6 -","- C30 H18 F9 Ir N6 -","- C480 H288 F144 Ir16 N96 -","16","2","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0731","0.0495","","","0.1143","0.1269","","","","","","1.037","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113824","10.4024","0.0012","17.796","0.002","31.256","0.004","90","","90","","90","","5786.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienyllithium-(THF)3","","","- C35 H49 Li O3 -","- C35 H49 Li O3 -","- C280 H392 Li8 O24 -","8","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.1034","0.0754","","","0.2012","0.2161","","","","","","1.053","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113845","34.5808","0.0003","18.2206","0.0001","14.4798","0.0001","90","","90","","90","","9123.47","0.11","273.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H47 Cl3 P2 Ru S3 W -","- C47 H45 Cl3 P2 Ru S3 W -","- C376 H360 Cl24 P16 Ru8 S24 W8 -","8","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0268","","","","0.052","","","","","","1.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113990","8.622","0.0003","13.806","0.0005","24.82","0.0011","90","","90","","90","","2954.5","0.2","153","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 O3 S3 -","- C12 H22 O3 S3 -","- C96 H176 O24 S24 -","8","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0591","0.046","","","0.1228","0.1284","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114052","12.8356","0.0002","13.5677","0.0002","40.1694","0.0007","90","","90","","90","","6995.48","0.19","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","kfs02","","","- C31 H40 Br3 N6 O -","- C31 H40 Br3 N6 O -","- C248 H320 Br24 N48 O8 -","8","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.122","0.0622","","","0.1435","0.1682","","","","","","1.03","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114088","24.934","0.006","18.83","0.004","26.82","0.006","90","","90","","90","","12592","5","294","2","294","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H96 Ag F3 N2 O4 P4 Pt S -","- C54 H91 Ag F3 N2 O4 P4 Pt S -","- C432 H728 Ag8 F24 N16 O32 P32 Pt8 S8 -","8","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.243","0.0612","","","0.1131","0.1416","","","","","","0.953","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114161","26.8378","0.0015","7.2109","0.0004","34.9225","0.0018","90","","90","","90","","6758.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H24 Br2 N4 Ni -","- C48 H24 Br2 N4 Ni -","- C384 H192 Br16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.1584","0.0539","","","0.0778","0.0953","","","","","","0.792","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114220","8.5919","0.0006","15.7208","0.0011","27.2838","0.0019","90","","90","","90","","3685.3","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Mn N12 -","- C14 H17 Mn N12 -","- C112 H136 Mn8 N96 -","8","1","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.0603","0.0303","","","0.0645","0.0691","","","","","","0.897","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114227","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.5","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C56 H58 Cl2 O2 Ru2 -","- C224 H232 Cl8 O8 Ru8 -","4","0.5","","Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh","Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations","Journal of the American Chemical Society","2003","125","","12143","12160","10.1021/ja0358697","","","0.71073","MoKα","","0.0464","0.0437","","","0.1118","0.1179","","","","","","1.207","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114304","16.4042","0.0013","9.1502","0.0011","21.1802","0.0015","90","","90","","90","","3179.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl2 N O2 S -","- C15 H13 Cl2 N O2 S -","- C120 H104 Cl16 N8 O16 S8 -","8","1","","Subramanian Karur; S. R. S. Saibabu Kotti; Xin Xu; John F. Cannon; Allan Headley; Guigen Li","A Catalytic Reaction of Alkynes via Multiple-Site Functionalization","Journal of the American Chemical Society","2003","125","","13340","13341","10.1021/ja0304188","","","0.71073","MoKα","","0.0939","0.0511","","","0.1132","0.133","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114311","11.4848","0.0007","16.6537","0.0009","18.2556","0.0011","90","","90","","90","","3491.6","0.4","300","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H52 Cu2 N6 O14 P2 -","- C24 H40 Cu2 N6 O14 P2 -","- C96 H160 Cu8 N24 O56 P8 -","4","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0929","0.05","","","0.1228","0.1344","","","","","","1.03","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114365","17.5719","0.0016","8.3749","0.0007","23.26","0.002","90","","90","","90","","3423","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 I O4 -","- C16 H17 I O4 -","- C128 H136 I8 O32 -","8","1","","Shengming Ma; Junliang Zhang; Yangjun Cai; Lianghua Lu","An X-(X = I, Br)-Triggered Ring-Opening Coupling Reaction of Cyclopropenes with Organic Halides","Journal of the American Chemical Society","2003","125","","13954","13955","10.1021/ja038131y","","","0.71073","MoKα","","0.0724","0.0422","","","0.1055","0.1162","","","","","","0.916","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114380","18.482","0.006","27.662","0.008","10.744","0.005","90","","90","","90","","5493","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl5 Ga P2 -","- C24 H20 Cl5 Ga P2 -","- C192 H160 Cl40 Ga8 P16 -","8","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","1.5418","CuKα","","0.2658","0.0512","","0.2082","0.1329","","","","0.971","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114435","12.6104","0.0014","16.2906","0.0019","17.927","0.002","90","","90","","90","","3682.8","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O5 S -","- C20 H26 O5 S -","- C160 H208 O40 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.067","0.0481","","","0.1064","0.1143","","","","","","1.057","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114447","9.3938","0.0005","18.939","0.001","21.924","0.001","90","","90","","90","","3900.5","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0504","0.0446","","","0.1123","0.1175","","","","","","1.029","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114449","14.2207","0.0007","15.9939","0.0007","19.5926","0.0009","90","","90","","90","","4456.2","0.4","173.2","","173.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H35 N O W -","- C24 H35 N O W -","- C192 H280 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0632","0.031","","0.0815","","0.038","","","0.801","","","0.801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114452","14.8888","0.001","14.7065","0.0009","17.8503","0.0013","90","","90","","90","","3908.5","0.5","293","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C168 H264 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0456","0.0331","","","0.0803","0.0825","","","","","","0.888","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114480","13.738","0.001","10.766","0.001","19.522","0.002","90","","90","","90","","2887.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.056","0.041","","","0.102","0.109","","","","","","1.03","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114492","12.087","0.005","19.74","0.009","23.655","0.01","90","","90","","90","","5644","4","158","2","158","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C264 H272 N16 O16 -","8","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.101","0.0718","","","0.1737","0.1896","","","","","","0.966","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114522","12.5579","0.0001","15.6169","0.0002","12.6071","0.0001","90","","90","","90","","2472.45","0.04","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 B7 P -","- C8 H16 B7 P -","- C64 H128 B56 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.074","0.0685","","0.1548","0.1519","","","","1.316","1.333","1.333","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114536","9.6905","0.0006","23.7816","0.0013","44.5","0.003","90","","90","","90","","10255.3","1.1","193","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","holjs77","","","- C47 H64 Fe N4 -","- C47 H64 Fe N4 -","- C376 H512 Fe8 N32 -","8","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0838","0.0497","","","0.1451","0.1541","","","","","","1.075","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114602","18.678","0.006","31.752","0.011","9.38","0.006","90","","90","","90","","5563","4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N3 O6 P -","- C28 H36 N3 O6 P -","- C224 H288 N24 O48 P8 -","8","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.3211","0.0533","","","0.1633","0.2483","","","","","","0.929","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114648","7.7991","0.0003","7.3372","0.0003","19.2695","0.0008","90","","90","","90","","1102.67","0.08","193","2","193","2","","","","","","","original synthesis","4","P b c a","-P 2ac 2ab","61","","","","- I K Mo O6 -","- I K Mo O6 -","- I8 K8 Mo8 O48 -","8","1","","Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses","Journal of the American Chemical Society","2002","124","","1951","1957","10.1021/ja012190z","","","0.71073","MoKα","","0.0222","0.0216","","0.0525","0.0521","","","","1.166","1.168","1.168","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114692","11.122","0.0018","12.576","0.002","25.593","0.004","90","","90","","90","","3579.7","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl F6 N2 P Ru -","- C16 H20 Cl F6 N2 P Ru -","- C128 H160 Cl8 F48 N16 P8 Ru8 -","8","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.0516","0.0444","","","0.1021","0.1055","","","","","","1.038","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114700","9.498","0.001","22.5","0","23.48","0","90","","90","","90","","5017.8","0.5","273.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-Hydroxy-6-oxo-3-phenyl-1,3a,4,5,6,6a-hexahydropentalene -2-carboxylic acid amide","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C240 H240 N16 O48 -","16","2","","Paul A. Wender; Gabriel G. Gamber; Robert D. Hubbard; Lei Zhang","Three-Component Cycloadditions: The First Transition Metal-Catalyzed [5+2+1] Cycloaddition Reactions","Journal of the American Chemical Society","2002","124","","2876","2877","10.1021/ja0176301","","","0.7107","MoKα","","","0.038","","","","0.097","","","","","","0.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114746","18.1702","0.001","23.3832","0.0013","33.8378","0.0018","90","","90","","90","","14376.9","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 B Cu F20 N3 -","- C34 H25 B Cu F20 N3 -","- C544 H400 B16 Cu16 F320 N48 -","16","2","","Hong-Chang Liang; Christiana Xin Zhang; Mark J. Henson; Roger D. Sommer; Karen R. Hatwell; Susan Kaderli; Andreas D. Zuberbühler; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Contrasting Copper-Dioxygen Chemistry Arising from Alike Tridentate Alkyltriamine Copper(I) Complexes","Journal of the American Chemical Society","2002","124","","4170","4171","10.1021/ja0125265","","","0.71073","MoKα","","0.1307","0.0808","","","0.1646","0.1898","","","","","","1.155","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114747","18.599","0.003","18.661","0.003","21.015","0.003","90","","90","","90","","7294","2","173","2","173","2","","","","","","","Laurie Breyfogle","6","P b c a","-P 2ac 2ab","61","01008","","","- C28 H51 Fe N4 O Si4 -","- C28 H51 Fe N4 O Si4 -","- C224 H408 Fe8 N32 O8 Si32 -","8","1","","Brendan J. O'Keefe; Laurie E. Breyfogle; Marc A. Hillmyer; William B. Tolman","Mechanistic Comparison of Cyclic Ester Polymerizations by Novel Iron(III)-Alkoxide Complexes: Single vs Multiple Site Catalysis","Journal of the American Chemical Society","2002","124","","4384","4393","10.1021/ja012689t","","","0.71073","MoKα","","0.1387","0.0717","","","0.1167","0.1344","","","","","","1.04","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114874","12.3788","0.0019","22.642","0.003","25.337","0.004","90","","90","","90","","7101.5","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Sn(THME)2]2 . (THF)solvent","","","- C12 H22 O6.5 Sn3 -","- C10 H18 O6 Sn3 -","- C160 H288 O96 Sn48 -","16","2","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0306","0.0205","","","0.0438","0.0466","","","","","","1.036","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114882","22.209","0.006","8.843","0.002","29.053","0.008","90","","90","","90","","5706","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(mMP)2","","","- C24 H32 O8 Sn4 -","- C24 H32 O8 Sn4 -","- C192 H256 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0477","0.0316","","","0.0666","0.0706","","","","","","0.983","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114883","20.967","0.004","8.9897","0.0015","29.726","0.005","90","","90","","90","","5603","1.7","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(OMP)2","","","- C24 H32 O8 Sn4 -","- C24 H32 O8 Sn4 -","- C192 H256 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0576","0.0356","","","0.0653","0.0699","","","","","","1.028","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114885","16.066","0.004","17.328","0.004","28.081","0.006","90","","90","","90","","7818","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(DIP)2","","","- C34 H52 O8 Sn4 -","- C34 H52 O8 Sn4 -","- C272 H416 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0909","0.0384","","","0.0593","0.0683","","","","","","0.825","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114899","9.5057","0.0001","12.8371","0.0002","20.9018","0.0003","90","","90","","90","","2550.56","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H24 B9 N -","- C4 H24 B9 N -","- C32 H192 B72 N8 -","8","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0451","0.0387","","","0.1059","0.1124","","","","","","1.063","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114925","16.5688","0.0013","13.229","0.0018","17.8632","0.0017","90","","90","","90","","3915.4","0.7","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H16 Al B11 Cl6 -","- C5 H16 Al B11 Cl6 -","- C40 H128 Al8 B88 Cl48 -","8","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0432","0.0333","","","0.0906","0.097","","","","","","1.012","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114939","25.566","0.008","11.361","0.003","9.734","0.002","89.99","0.02","89.95","0.02","90.01","0.02","2827.3","1.3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F O -","- C21.7143 H14.8571 F1.14286 O1.14286 -","- C152 H104 F8 O8 -","7","0.875","","Yoshiaki Nishibayashi; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition of Propargylic Alcohols with Phenol Derivatives via Allenylidene Intermediates: Catalytic Use of the Allenylidene Ligand as the C3 Unit","Journal of the American Chemical Society","2002","124","","7900","7901","10.1021/ja026168x","","","0.7107","MoKα","","","0.043","","","","0.031","","","","","","2.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114962","9.908","0.004","10.763","0.004","38.02","0.02","90","","90","","90","","4054","3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31.6 I N2 O1.3 -","- C21 I N2 O1.3 -","- C168 I8 N16 O10.4 -","8","1","","John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin","Enantioselective Total Syntheses of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2002","124","","8584","8592","10.1021/ja0202964","","","0.71073","MoKα","","","0.0486","","","0.0513","","","","","","","1.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115025","15.2478","0.0007","22.2907","0.001","29.1393","0.0014","90","","90","","90","","9904","0.8","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","((dippe)Ni(h2-1,4-dicyanobenzene)","","","- C22 H36 N2 Ni P2 -","- C22 H36 N2 Ni P2 -","- C352 H576 N32 Ni16 P32 -","16","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.1438","0.0705","","","0.1708","0.2097","","","","","","0.847","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115033","15.2945","0.0004","14.244","0.0004","20.5478","0.0005","90","","90","","90","","4476.4","0.2","183.2","","183.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 I P Pd -","- C20 I P Pd -","- C160 I8 P8 Pd8 -","8","1","","James P. Stambuli; Michael Bühl; John F. Hartwig","Synthesis, Characterization, and Reactivity of Monomeric, Arylpalladium Halide Complexes with a Hindered Phosphine as the Only Dative Ligand","Journal of the American Chemical Society","2002","124","","9346","9347","10.1021/ja0264394","","","0.7107","MoKα","","","0.0256","","","","0.0273","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115057","16.58","0.02","23.234","0.006","8.733","0.002","90","","90","","90","","3364","4","123.2","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H28 -","- C24 H28 -","- C192 H224 -","8","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0463","","","","0.0743","","","","","","1.465","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115112","8.8737","0.0005","17.6413","0.0009","33.5339","0.0018","90","","90","","90","","5249.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C192 H344 B24 O16 Ru16 -","8","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5","Journal of the American Chemical Society","2002","124","","10280","10281","10.1021/ja026738t","","","0.71073","MoKα","","0.0311","0.0304","","","0.0751","0.0756","","","","","","1.103","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115146","20.048","0.004","13.737","0.003","20.285","0.004","90","","90","","90","","5586","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Re -","- C28 H28 Cl2 N O P2 Re -","- C224 H224 Cl16 N8 O8 P16 Re8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.0932","0.0636","","","0.1611","0.1877","","","","","","1.008","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115159","12.019","0.003","11.515","0.003","26.124","0.004","90","","90","","90","","3615.5","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-phtaloyl-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran","Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers","Journal of the American Chemical Society","2002","124","","11503","11513","10.1021/ja0263644","","","1.54178","CuKα","","0.047","0.0429","","","0.1295","0.1329","","","","","","1.109","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115266","12.701","0.009","9.569","0.007","38.07","0.03","90","","90","","90","","4627","6","203","2","203","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","Phenyl-bis(tBu)dihydrodimethylpyrene","","","- C30 H34 -","- C30 H34 -","- C240 H272 -","8","1","","Richard Vaughan Williams; John R. Armantrout; Brendan Twamley; Reginald H. Mitchell; Timothy R. Ward; Subhajit Bandyopadhyay","A Theoretical and Experimental Scale of Aromaticity. The First Nucleus-Independent Chemical Shifts (NICS) Study of the Dimethyldihydropyrene Nucleus","Journal of the American Chemical Society","2002","124","","13495","13505","10.1021/ja020595t","","","0.71073","MoKα","","0.134","0.0629","","","0.1383","0.1657","","","","","","1.023","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115286","21.651","0.003","16.699","0.002","30.468","0.002","90","","90","","90","","11016","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C122 H76 Cl8 N6 O22 Pd S4 -","- C122 H76 Cl8 N6 O22 Pd S4 -","- C488 H304 Cl32 N24 O88 Pd4 S16 -","4","0.5","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.2447","0.0998","","0.283","0.1953","","","","1.081","1.347","1.347","","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115311","9.631","0.0004","18.905","0.0007","25.17","0.0011","90","","90","","90","","4582.8","0.3","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O8 -","- C22 H27 N3 O8 -","- C176 H216 N24 O64 -","8","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.107","0.0612","","","0.0887","0.0999","","","","","","1.062","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115361","18.663","0.003","19.047","0.003","16.774","0.003","90","","90","","90","","5962.7","1.7","301.2","","301.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H42 Au P -","- C34 H42 Au P -","- C272 H336 Au8 P8 -","8","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0297","","","0.0399","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115477","25.129","0.004","25.477","0.004","18.786","0.003","90","","90","","90","","12027","3","294.2","","294.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C464 H568 O48 P8 Pd16 Ru16 S32 Ti16 -","8","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0476","0.0476","","","0.0479","0.0479","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115489","16.633","0.002","14.7594","0.0014","23.571","0.002","90","","90","","90","","5786.5","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-Dimethyl(bis(dicyclohexylphosphino)methane)palladium(II)","","- C27 H52 P2 Pd -","- C27 H52 P2 Pd -","- C216 H416 P16 Pd8 -","8","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1015","0.039","","","0.1004","0.1202","","","","","","1.019","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115501","13.4285","0.0009","12.5989","0.0009","17.785","0.0012","90","","90","","90","","3008.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, p-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0498","0.0344","","","0.0971","0.1031","","","","","","1.057","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115502","13.1459","0.0008","12.4292","0.0008","18.8824","0.0012","90","","90","","90","","3085.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, o-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0608","0.0424","","","0.1201","0.1276","","","","","","1.081","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115503","13.36","0.001","12.6471","0.001","18.1682","0.0014","90","","90","","90","","3069.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, naphthalene clathrate","","","- C14 H16 N3 O3 S -","- C14 H16 N3 O3 S -","- C112 H128 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.055","0.0326","","","0.0795","0.0851","","","","","","1.026","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115507","13.3756","0.0003","12.4586","0.0003","22.304","0.0005","90","","90","","90","","3716.77","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, 1-methylnaphthalene clathrate","","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C136 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0758","0.0568","","","0.1569","0.1709","","","","","","1.047","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115508","13.4471","0.0004","12.1155","0.0004","23.9856","0.0007","90","","90","","90","","3907.7","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, pyrene clathrate","","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C176 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0545","0.0371","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115509","13.6864","0.0007","12.4544","0.0007","26.4727","0.0014","90","","90","","90","","4512.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-4,4'-biphenyldisulfonate, perylene clathrate","","","- C54 H44 N6 O6 S2 -","- C54 H44 N6 O6 S2 -","- C216 H176 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0773","0.0422","","","0.1054","0.1155","","","","","","1.021","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115514","13.7891","0.0012","12.3034","0.001","26.784","0.002","90","","90","","90","","4544","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium) 2,6-anthracenedisulfonate, perylene clathrate","","","- C28 H22 N3 O3 S -","- C28 H22 N3 O3 S -","- C224 H176 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0917","0.0439","","","0.0898","0.0998","","","","","","0.864","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115575","10.8358","0.0005","14.8072","0.0007","17.2021","0.0008","90","","90","","90","","2760","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H36 Cl2 Cu O10 S4 -","- C72 H144 Cl8 Cu4 O40 S16 -","4","0.5","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0741","0.0559","","0.1779","0.1647","","","","1.064","1.131","1.131","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115577","13.0498","0.0007","16.9827","0.0008","23.5634","0.0011","90","","90","","90","","5222.1","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl2 Cu O8 S4 -","- C18 H32 Cl2 Cu O8 S4 -","- C144 H256 Cl16 Cu8 O64 S32 -","8","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1488","0.096","","0.2979","0.273","","","","1.053","1.264","1.264","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115582","9.4344","0.0009","27.089","0.003","30.133","0.003","90","","90","","90","","7701","1.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38.6 H56.2 N4 O8.4 -","- C38.6 H56.2 N4 O8.4 -","- C308.8 H449.6 N32 O67.2 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1753","0.0664","","","0.1268","0.1761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115584","23.818","0.002","11.9742","0.0012","26.727","0.003","90","","90","","90","","7622.6","1.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H50 Cl N4 Na O6 -","- C38 H50 Cl N4 Na O6 -","- C304 H400 Cl8 N32 Na8 O48 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.0936","0.0498","","","0.1057","0.1456","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115650","19.7106","0.0018","22.1508","0.0019","27.13","0.002","90","","90","","90","","11845.1","1.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H70 Cl16 N6 Si8 -","- C28 H70 Cl16 N6 Si8 -","- C224 H560 Cl128 N48 Si64 -","8","1","","Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier","Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1","Journal of the American Chemical Society","2001","123","","8117","8118","10.1021/ja002831a","","","0.71073","MoKα","","0.1329","0.0638","","","0.1579","0.1967","","","","","","1.045","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115665","9.8468","0.0005","14.0391","0.0007","16.0009","0.0008","90","","90","","90","","2211.97","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro-{2-[2-(ethenyloxy)ethyl]pyridine}palladium(II)","","- C9 H11 Cl2 N O Pd -","- C9 H11 Cl2 N O Pd -","- C72 H88 Cl16 N8 O8 Pd8 -","8","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.027","0.0218","","","0.0506","0.0519","","","","","","0.987","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115668","21.2081","0.0002","14.743","0.0002","29.3458","0.0006","90","","90","","90","","9175.6","0.2","153.2","","153.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H74 Cl Fe N4 O Si2 Ta -","- C42 H64 Cl Fe N4 Si2 Ta -","- C336 H512 Cl8 Fe8 N32 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.1067","0.0333","","0.0539","0.0372","","","","","0.875","0.875","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115670","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C34 H60 Li N4 O Si2 Ta -","- C272 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","","","","","0.79","0.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115721","23.793","0.002","9.8009","0.0008","28.039","0.003","90","","90","","90","","6538.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H44 Cl2 N2 Pt S2 -","- C29 H44 Cl2 N2 Pt S2 -","- C232 H352 Cl16 N16 Pt8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0753","0.0422","","0.0942","0.0819","","","","1.155","1.266","1.266","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115814","14.0518","0.0003","14.1426","0.0002","14.9534","0.0002","90","","90","","90","","2971.67","0.09","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0945","0.0577","","","0.112","0.1278","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115867","21.3905","0.0004","14.6381","0.0003","25.4813","0.0002","90","","90","","90","","7978.6","0.2","188","2","188","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Cu2(OH){(PhO)2PO2}(BPAN)](ClO4)2 (2).","","","- C36 H37 Cl2 Cu2 N6 O13 P -","- C36 H35 Cl2 Cu2 N6 O13 P -","- C288 H280 Cl16 Cu16 N48 O104 P8 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0828","0.0412","","","0.1114","0.1346","","","","","","0.859","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115897","16.873","0.003","20.048","0.003","31.706","0.006","90","","90","","90","","10725","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H81 Mo6 N3 O18 -","- C36 H81 Mo6 N3 O18 -","- C288 H648 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1542","0.0695","","0.095","0.0746","","","","1.193","1.29","1.29","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115899","18.432","0.007","20.58","0.009","31.379","0.012","90","","90","","90","","11903","8","293","2","236","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H89 Mo6 N3 O18 -","- C44 H89 Mo6 N3 O18 -","- C352 H712 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1491","0.078","","0.128","0.1056","","","","1.386","1.7","1.7","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115945","21.786","0.004","15.756","0.002","8.818","0.003","90","","90","","90","","3026.9","1.2","193.2","","193.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 S2 -","- C16 H14 O4 S2 -","- C128 H112 O32 S16 -","8","1","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0492","0.0492","","","0.0506","0.0506","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115995","20.049","0.006","13.635","0.003","20.125","0.006","90","","90","","90","","5502","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Tc -","- C28 H28 Cl2 N O P2 Tc -","- C224 H224 Cl16 N8 O8 P16 Tc8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Adriano Duatti; Sushumna Prakash; Licia Uccelli; Fiorenzo Refosco; Francesco Tisato; Giuliano Bandoli","Geometrically Controlled Selective Formation of Nitrido Technetium(V) Asymmetrical Heterocomplexes with Bidentate Ligands","Journal of the American Chemical Society","2000","122","","4510","4511","10.1021/ja993834u","","","0.71073","MoKα","","0.0774","0.0452","","0.1145","0.0976","","","","1.036","1.071","1.071","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115996","13.01","0.002","10.853","0.001","23.692","0.004","90","","90","","90","","3345.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Fe N5 O5 -","- C10 H24 Cl2 Fe N5 O5 -","- C80 H192 Cl16 Fe8 N40 O40 -","8","1","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.079","0.0536","","0.1242","0.1127","","","","1.047","1.108","1.108","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116020","10.6688","0.0002","15.2337","0.0003","42.5078","0.0006","90","","90","","90","","6908.6","0.2","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H49 F3 N3 O3 P S -","- C30 H49 F3 N3 O3 P S -","- C240 H392 F24 N24 O24 P8 S8 -","8","1","","Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold","Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines","Journal of the American Chemical Society","2000","122","","5413","5414","10.1021/ja000432+","","","0.71073","MoKα","","0.136","0.0892","","","0.1502","0.1699","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116077","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116078","20.7008","0.0003","19.6161","0.0001","30.3179","0.0005","90","","90","","90","","12311.2","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H67 F3 Fe2 N6 O9 S -","- C61 H60 F3 Fe2 N6 O8.5 S -","- C488 H480 F24 Fe16 N48 O68 S8 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","0.71073","MoKα","","0.1087","0.0887","","0.2409","0.2261","","","","1.165","1.216","1.216","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116079","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116103","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott","Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines","Journal of the American Chemical Society","2000","122","","7132","7133","10.1021/ja994353d","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116134","23.807","0.005","13.334","0.004","11.354","0.006","90","","90","","90","","3604","2","296.2","","296.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C168 H192 O16 -","8","1","","Eiji Shirakawa; Yoshiaki Nakao; Hiroto Yoshida; Tamejiro Hiyama","Nickel-Catalyzed Acylstannylation of 1,3-Dienes: Synthesis and Reaction of ε-Oxoallylstannanes","Journal of the American Chemical Society","2000","122","","9030","9031","10.1021/ja0020409","","","0.7107","MoKα","","","0.043","","","","0.026","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116139","6.4928","0.0001","6.06","0.0002","7.803","0.0003","90","","90","","90","","307.02","0.016","130","2","130","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0455","0.0415","","0.1066","0.1046","","","","1.193","1.248","1.248","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116148","6.5594","0.0005","6.094","0.0005","7.8524","0.0006","90","","90","","90","","313.88","0.04","298","2","298","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C H O2 -","- C8 H8 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.036","0.0343","","0.0932","0.0925","","","","1.111","1.162","1.162","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116241","34.226","0.009","20.44","0.01","15.638","0.007","90","","90","","90","","10940","8","286.2","","286.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N O2 Si W -","- C29 H31 N O2 Si W -","- C464 H496 N16 O32 Si16 W16 -","16","2","","Hiroyuki Sakaba; Masanori Tsukamoto; Takeshi Hirata; Chizuko Kabuto; Hiroshi Horino","Synthesis, Structure, and Silylene Exchange Reaction of Base-Stabilized Hydrido(silylene)tungsten Complexes and Rearrangement of Hydrosilyl(pyridine)tungsten Complexes to the Base-Stabilized Hydrido(silylene) Complexes via 1,2-Hydrogen Migration","Journal of the American Chemical Society","2000","122","","11511","11512","10.1021/ja993279w","","","0.7107","MoKα","","0.0511","0.0511","","","0.0541","0.0541","","","","","","2.492","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116360","9.3238","0.0004","11.4506","0.0004","34.2187","0.0013","90","","90","","90","","3653.3","0.2","150","0.1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O2 Si2 -","- C17 H24 O2 Si2 -","- C136 H192 O16 Si16 -","8","1","","Wen-wei Huang; Huda Henry-Riyad; Thomas T. Tidwell","Reactions of the ""Stable"" Nitroxyl Radical TEMPO with Ketenes: Formation of a Unique Peroxidic Source of Aminyl Radicals","Journal of the American Chemical Society","1999","121","","3939","3943","10.1021/ja982944i","","","0.71073","MoKα","","0.0669","0.0434","","","0.1078","0.117","","","","","","1.045","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116460","11.82","0.001","7.5952","0.0007","36.186","0.005","90","","90","","90","","3248.6","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.1213","0.0517","","0.1107","0.0885","","","","1.011","1.152","1.152","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116464","15.9821","0.0004","6.3658","0.0001","19.6955","0.0005","90","","90","","90","","2003.8","0.08","161","2","161","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meconic acid","","","- C7 H10 O10 -","- C7 H10 O10 -","- C56 H80 O80 -","8","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0578","0.0473","","","0.1426","0.1579","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116493","23.282","0.002","16.787","0.002","15.0481","0.0014","90","","90","","90","","5881.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Me5CpRe)2[Co2(CO)5]B4H4","","- C25 H34 B4 Co2 O5 Re2 -","- C25 H34 B4 Co2 O5 Re2 -","- C200 H272 B32 Co16 O40 Re16 -","8","1","","Sundargopal Ghosh; Maoyu Shang; Thomas P. Fehlner","A Novel Coordinated Inorganic Benzene: Synthesis and Characterization of {η5-C5Me5Re}2{μ-η6:η6-B4H4Co2(CO)5}","Journal of the American Chemical Society","1999","121","","7451","7452","10.1021/ja991306c","","","0.71073","MoKα","","0.0752","0.0368","","","0.0757","0.0915","","","","","","1","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116508","16.7314","0.0002","17.3877","0.0003","46.0307","0.0006","90","","90","","90","","13391.3","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0622","0.0409","","","0.0924","0.101","","","","","","1.005","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116509","16.6975","0.0003","17.3715","0.0003","45.9434","0.0003","90","","90","","90","","13326.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI & lophine radical","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0795","0.0535","","","0.1117","0.121","","","","","","1.08","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116520","31.235","0.004","10.637","0.001","8.579","0.003","90","","90","","90","","2850.3","1.1","132","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1572","0.0631","","0.0919","","0.0696","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116521","31.263","0.004","10.668","0.001","8.604","0.004","90","","90","","90","","2869.6","1.4","175","","175","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1705","0.0673","","0.0978","","0.0717","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116522","31.276","0.003","10.687","0.001","8.62","0.003","90","","90","","90","","2881.2","1.1","190","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1891","0.0746","","0.1027","","0.0781","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116523","31.284","0.002","10.702","0.0006","8.629","0.002","90","","90","","90","","2889","0.7","204","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.222","0.0809","","0.113","","0.0852","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116524","31.292","0.002","10.7148","0.0006","8.637","0.002","90","","90","","90","","2895.9","0.7","219","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1829","0.0677","","0.0911","","0.0705","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116525","31.317","0.002","10.7471","0.0007","8.66","0.002","90","","90","","90","","2914.7","0.7","250","","250","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.2061","0.0779","","0.1123","","0.0849","","","","","","1.221","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116526","31.333","0.002","10.7715","0.0007","8.677","0.002","90","","90","","90","","2928.5","0.7","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1434","0.0606","","0.0819","","0.0669","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116527","31.378","0.002","10.8387","0.0006","8.714","0.002","90","","90","","90","","2963.6","0.7","324","","324","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1657","0.0611","","0.0836","","0.0659","","","","","","1.376","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116556","18.6416","0.0002","18.8457","0.0004","24.151","0.0004","90","","90","","90","","8484.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H74 Au4 F12 P6 S2 -","- C86 H74 Au4 F12 P6 S2 -","- C344 H296 Au16 F48 P24 S8 -","4","0.5","","Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce","Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide","Journal of the American Chemical Society","1999","121","","9225","9226","10.1021/ja991986j","","","0.71073","MoKα","","0.1492","0.0365","","0.0498","0.0376","","","","0.804","0.985","0.985","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116600","17.815","0.004","16.942","0.003","23.136","0.005","90","","90","","90","","6983","3","173","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H59 I K N8 O -","- C26 H60 I K N8 O -","- C208 H480 I8 K8 N64 O8 -","8","1","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0788","0.0521","","0.1271","0.1147","","","","1.036","1.09","1.09","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116696","15.688","0.002","17.534","0.003","9.305","0.0009","90","","90","","90","","2559.6","0.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O5 S2 W -","- C9 H6 O5 S2 W -","- C72 H48 O40 S16 W8 -","8","1","","Richard D. Adams; J. W. Long; Joseph L. Perrin","A New Route to Dihydrodithiins by a Catalytic Reaction of Vinylthiiranes with W(CO)5(NCMe)","Journal of the American Chemical Society","1998","120","","1922","1923","10.1021/ja973880z","","","0.7107","MoKalpha","","","0.022","","","0.0229","","","","","1.381","1.381","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116783","13.101","0.002","10.896","0.002","23.203","0.004","90","","90","","90","","3312.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Mn N5 O4 -","- C10 H24 Cl2 Mn N5 O4 -","- C80 H192 Cl16 Mn8 N40 O32 -","8","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0313","0.0272","","0.067","0.0629","","","","1.175","1.197","1.197","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116843","21.792","0.002","18.511","0.005","13.358","0.004","90","","90","","90","","5389","2","173.2","","173.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","cis-complex","","","- C21 H10 F12 Mn N4 O4 -","- C21 H10 F12 Mn N4 O4 -","- C168 H80 F96 Mn8 N32 O32 -","8","1","","Satoru Karasawa; Yoko Sano; Takeyuki Akita; Noboru Koga; Tetsuji Itoh; Hiizu Iwamura; Pierre Rabu; Marc Drillon","Photochemical Formation of Ferrimagnetic Chains from a Pair of Polymeric Complexes Made of Octahedral Bis(hexafluoroacetylacetonato)manganese(II) with Diazodi(4-pyridyl)methane in the Cis and Trans Configurations as Repeating Units","Journal of the American Chemical Society","1998","120","","10080","10087","10.1021/ja981293n","","","0.7107","MoKα","","0.1259","0.0616","","0.0716","0.0615","","","","2.154","2.559","2.559","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116858","16.7964","0.0002","15.6983","0.0002","22.3627","0.0001","90","","90","","90","","5896.48","0.11","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 O P2 Pd -","- C36 H30 O P2 Pd -","- C288 H240 O8 P16 Pd8 -","8","1","","W. Donald Cotter; Lauren Barbour; Kristin L. McNamara; Rachel Hechter; Rene J. Lachicotte","Thermodynamics and Mechanism of the Reversible Tin-to-Palladium Transmetalation of the Furyl Group","Journal of the American Chemical Society","1998","120","","11016","11017","10.1021/ja980901w","","","0.71073","MoKα","","0.0364","0.0306","","0.0724","0.0701","","","","1.128","1.151","1.151","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116925","17.765","0.003","17.662","0.007","12.461","0.003","90","","90","","90","","3909.8","1.9","293.2","","293.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrairon acetylene cluster","","","- C24 H24 Fe4 -","- C24 Fe4 -","- C192 Fe32 -","8","1","","Masaaki Okazaki; Takeo Ohtani; Shinji Inomata; Naohiko Tagaki; Hiroshi Ogino","Reductive Coupling of Carbonyl Ligands on a Cubane-Type Tetrairon Cluster [Cp4Fe4(CO)4] or [(MeC5H4)4Fe4(CO)4] To Give an Acetylene-Coordinated Cluster [Cp4Fe4(HC\τbCH)2] or [(MeC5H4)4Fe4(HC\τbCH)2]","Journal of the American Chemical Society","1998","120","","9135","9138","10.1021/ja980669u","","","0.7107","MoKα","","","0.0565","","","0.0847","","","","","0.809","0.809","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116939","17.0164","0.0002","16.9922","0.0003","34.251","","90","","90","","90","","9903.5","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mo N6 Si3 -","- C15 H39 Mo N6 Si3 -","- C240 H624 Mo16 N96 Si48 -","16","2","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.0554","0.0459","","0.106","0.0969","","","","1.245","1.269","1.269","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116941","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116942","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116977","11.4973","0.0015","23.932","0.003","24.811","0.003","90","","90","","90","","6826.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pd -","- C42 H35 F P2 Pd -","- C336 H280 F8 P16 Pd8 -","8","1","","Scott L. Fraser; Mikhail Yu. Antipin; Viktor N. Khroustalyov; Vladimir V. Grushin","Molecular Fluoro Palladium Complexes","Journal of the American Chemical Society","1997","119","","4769","4770","10.1021/ja963984u","","","0.71073","MoKα","","0.0807","0.047","","0.2067","0.1101","","","","1.054","1.069","1.069","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116979","21.137","0.004","22.327","0.005","9.149","0.002","90","","90","","90","","4317.6","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H35 P -","- C23 H35 P -","- C184 H280 P8 -","8","1","","György Keglevich; Zsolt Böcskei; György Miklós Keserü; Kálmán Újszászy; Louis D. Quin","1-(2,4,6-Tri-tert-butylphenyl)-3-methylphosphole: A Phosphole with a Significantly Flattened Phosphorus Pyramid Having Pronounced Characteristics of Aromaticity","Journal of the American Chemical Society","1997","119","","5095","5099","10.1021/ja970463d","","","1.54178","CuKα","","0.1961","0.0729","","0.2797","0.1854","","","","1.043","1.103","1.103","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116987","7.6495","0.0014","12.384","0.006","27.867","0.012","90","","90","","90","","2639.9","1.8","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N O4 S2 V -","- C11 H14 N O4 S2 V -","- C88 H112 N8 O32 S16 V8 -","8","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.046","0.046","","0.047","0.047","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117059","16.0335","0.0003","17.4135","0.0001","18.3742","0.0003","90","","90","","90","","5130.06","0.13","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Ni P2 S -","- C26 H40 Ni P2 S -","- C208 H320 Ni8 P16 S8 -","8","1","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0616","0.0485","","0.086","0.082","","","","1.226","1.261","1.261","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117078","7.459","0.001","14.509","0.003","23.751","0.005","90","","90","","90","","2570.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(m-bromophenyl)formamidine","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C104 H80 Br16 N16 -","8","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0819","0.0751","","0.2669","0.2377","","","","1.109","1.153","1.153","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117096","15.627","0.002","10.872","0.001","16.462","0.002","90","","90","","90","","2796.8","0.6","213","2","213","2","","","","","","","Compound was prepared by stirring a suspension of [Bu4N]2[Re2Cl8] in benzene with an excess of PMe3 for 6 hours at room temperature. Single crystals were obtained by slow diffusion of isomeric hexanes into dichloromethane solution.","5","P b c a","-P 2ac 2ab","61","Bis(μ2-chloro)-tetrachloro-tetrakis(trimethylphosphine)- -di-rhenium (III)","Bis((μ2-chloro)-bis(dichloro-bis(trimethylphosphine))-di- rhenium (III)","","- C12 H36 Cl6 P4 Re2 -","- C12 H36 Cl6 P4 Re2 -","- C48 H144 Cl24 P16 Re8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0311","0.0256","","0.0728","0.0591","","","","1.16","1.159","1.159","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117101","11.319","0.002","8.899","0.001","34.051","0.003","90","","90","","90","","3429.9","0.8","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(±)-2-amino-2'-hydroxy-3'-(methoxycarbonyl)-1,1'-binaphtyl","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","1","","Martin Smrčina; Štěpán Vyskočil; Vladimír Hanuš; Miroslav Polášek; Vratislav Langer; Benjamin G. M. Chew; David B. Zax; Hugh Verrier; Kevin Harper; Thomas A. Claxton; Pavel Kočovský","The SN2 Reaction in the Solid State. An Unusual, BAl2 Aminolysis of an Ester Group in Crystalline (\±)-2-Amino-2'-hydroxy-3'-(methoxycarbonyl)- 1,1'-binaphthyl Elucidated by X-ray Diffraction and Isotopic Labeling. New Experimental Evidence for Linearity in SN2 Substitution","Journal of the American Chemical Society","1996","118","","487","488","10.1021/ja951920y","","","0.71069","MoKα","","0.3578","0.0424","","0.2354","0.0973","","","","0.916","1.006","1.006","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117104","10.053","0.005","14.12","0.003","31.005","0.003","90","","90","","90","","4401","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H35 Cl N7 Ni O5 -","- C16 H35 Cl N7 Ni O5 -","- C128 H280 Cl8 N56 Ni8 O40 -","8","1","","Myunghyun Paik Suh; Kye Young Oh; Jae Woo Lee; Yeon Young Bae","Acetamide Coordination in a Nickel(I) Macrocyclic Complex: Synthesis, Properties, and X-ray Crystal Structure of a Five-Coordinate Nickel(I) Iminol Complex of 1,3,6,8,12,15-Hexaazatricyclo[13.3.1.18,12]icosane","Journal of the American Chemical Society","1996","118","","777","783","10.1021/ja953106g","","","0.71073","MoKα","","0.05","0.0447","","0.0983","0.0953","","","","1.104","1.111","1.111","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117158","14.8524","0.0002","13.9105","0.0003","40.8752","0.0002","90","","90","","90","","8445","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B N4 -","- C50 H62 B N4 -","- C400 H496 B8 N32 -","8","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.1097","0.0642","","0.1398","0.1133","","","","1.168","1.176","1.176","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117174","19.092","0.003","19.716","0.003","21.55","0.003","90","","90","","90","","8112","2","293","2","293","2","","","","","","","Methanol/Dichlormethane","7","P b c a","-P 2ac 2ab","61","","Bis[Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl)- borato-zink-hydroxid]-hydro-perchlorat","","- C39 H47 B Cl N6 O5 Zn -","- C39 H47 B Cl0.5 N6 O3 Zn -","- C312 H376 B8 Cl4 N48 O24 Zn8 -","8","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.1314","0.0557","","0.2134","0.1442","","","","1.056","1.011","1.011","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117194","15.131","0.003","16.406","0.003","15.683","0.004","90","","90","","90","","3893.1","1.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Au I2 P -","- C18 H14 Au I2 P -","- C144 H112 Au8 I16 P8 -","8","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.71069","MolybdenumKα","","0.111","0.034","","0.052","0.046","","","","1.168","1.438","1.438","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117381","14.3729","0.0007","14.3342","0.0007","16.5005","0.0008","90","","90","","90","","3399.5","0.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ClBBO.SbF6.MeCN","","","- C8 H3 Cl F6 N3 O S4 Sb -","- C8 H3 Cl F6 N3 O S4 Sb -","- C64 H24 Cl8 F48 N24 O8 S32 Sb8 -","8","1","","Xin Yu; Aaron Mailman; Kristina Lekin; Abdeljalil Assoud; Craig M. Robertson; Bruce C. Noll; Charles F. Campana; Judith A. K. Howard; Paul A. Dube; Richard T. Oakley","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","","2264","2275","10.1021/ja209841z","","","0.71073","MoKα","","0.0593","0.0458","","","0.0803","0.0863","","","","","","1.263","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4117446","13.057","0.003","12.612","0.003","15.7","0.003","90","","90","","90","","2585.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H15 B2 Cl F8 N2 -","- C7 H15 B2 Cl F8 N2 -","- C56 H120 B16 Cl8 F64 N16 -","8","1","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.105","0.0979","","","0.2369","0.2406","","","","","","1.216","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117490","9.2851","0.0003","30.0971","0.0009","37.5323","0.0009","90","","90","","90","","10488.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H39 Au3 F6 N6 S6 -","- C51 H39 Au3 F6 N6 S6 -","- C408 H312 Au24 F48 N48 S48 -","8","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.1099","0.0997","","","0.2611","0.2699","","","","","","1.144","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117520","19.562","0.012","20.298","0.013","7.523","0.005","90","","90","","90","","2987","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dithiophene-benzothiazole","Me2T-BT","","- C16 H12 N2 S3 -","- C16 H12 N2 S3 -","- C128 H96 N16 S24 -","8","1","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0842","0.0599","","","0.1463","0.1656","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117529","14.7367","0.0004","7.3238","0.0002","30.8713","0.0008","90","","90","","90","","3331.9","0.15","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.095","0.0411","","","0.0764","0.0879","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117546","8.8193","0.0017","15.674","0.003","20.839","0.004","90","","90","","90","","2880.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","12% H, 88% F","","- C14 H13.48 F3.52 N4 O2 -","- C14 H13.48 F3.52 N4 O2 -","- C112 H107.84 F28.16 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0674","0.0447","","","0.098","0.1081","","","","","","1.045","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117547","8.7678","0.0007","15.631","0.0012","20.7838","0.0016","90","","90","","90","","2848.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N4 O2 -","- C14 H14 F3 N4 O2 -","- C112 H112 F24 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0487","0.0391","","","0.096","0.1015","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117548","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117549","8.6527","0.0008","15.3511","0.0015","20.396","0.002","90","","90","","90","","2709.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 F N4 O2 -","- C14 H16 F N4 O2 -","- C112 H128 F8 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0682","0.0571","","","0.1314","0.137","","","","","","1.176","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117550","8.6503","0.0008","15.31","0.0014","20.3524","0.0018","90","","90","","90","","2695.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.32 F0.68 N4 O2 -","- C14 H16.32 F0.68 N4 O2 -","- C112 H130.56 F5.44 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0594","0.0541","","","0.1247","0.1278","","","","","","1.139","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117551","8.651","0.004","15.285","0.006","20.327","0.008","90","","90","","90","","2687.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.7 F0.4 N4 O2 -","- C14 H16.7 F0.4 N4 O2 -","- C112 H133.6 F3.2 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1129","0.0658","","","0.1425","0.1658","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117552","8.6236","0.0006","15.2101","0.001","20.2137","0.0013","90","","90","","90","","2651.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C112 H136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0476","0.0401","","","0.1008","0.1054","","","","","","1.065","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117554","8.8962","0.0002","16.1695","0.0004","20.6719","0.0005","90","","90","","90","","2973.59","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27.6 F6.4 N8 O4 -","- C28 H27.6 F6.4 N8 O4 -","- C112 H110.4 F25.6 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1233","0.1056","","","0.3311","0.3467","","","","","","2.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117555","8.7685","0.0003","15.6827","0.0006","20.2294","0.0009","90","","90","","90","","2781.82","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.11 F0.89 N4 O2 -","- C14 H13 F0.892 N4 O2 -","- C112 H104 F7.136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0859","0.0563","","","0.1328","0.1443","","","","","","1.1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117558","14.5542","0.0005","11.5548","0.0004","18.0747","0.0007","90","","90","","90","","3039.64","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","work","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C128 H168 N8 O16 S8 -","8","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0349","0.0321","","","0.0836","0.0858","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117566","17.207","0.003","7.2719","0.0012","18.428","0.003","90","","90","","90","","2305.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0805","0.0454","","","0.0793","0.0868","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117630","20.9727","0.0005","9.3428","0.0002","27.9724","0.0006","90","","90","","90","","5481","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Mg N2 O5 -","- C29 H18 F6 Mg N2 O5 -","- C232 H144 F48 Mg8 N16 O40 -","8","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0425","0.0305","","","0.0724","0.0789","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117651","25.3048","0.0002","19.0247","0.0001","25.8306","0.0002","90","","90","","90","","12435.3","0.15","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H58 B F24 O P2 Rh S -","- C57 H58 B F24 O P2 Rh S -","- C456 H464 B8 F192 O8 P16 Rh8 S8 -","8","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0628","0.0379","","","0.0899","0.1008","","","","","","1.019","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117680","13.673","0.003","14.561","0.003","24.254","0.005","90","","90","","90","","4828.8","1.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B2 N2 O4 -","- C21 H34 B2 N2 O4 -","- C168 H272 B16 N16 O32 -","8","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.1055","0.0779","","","0.1682","0.2022","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117775","21.499","0.002","19.7847","0.0018","26.014","0.002","90","","90","","90","","11065.1","1.7","88","2","88","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H85 K N3 O7 Si6 Y -","- C38 H85 K N3 O7 Si6 Y -","- C304 H680 K8 N24 O56 Si48 Y8 -","8","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0795","0.0654","","","0.1699","0.1819","","","","","","1.051","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117876","16.4875","0.0005","16.8851","0.0005","17.0029","0.0004","90","","90","","90","","4733.5","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C272 H176 O32 -","8","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0899","0.0734","","","0.2573","0.2715","","","","","","1.098","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117912","18.4243","0.0007","17.626","0.0007","23.0612","0.001","90","","90","","90","","7489","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H50 N2 O6 Ru -","- C40 H50 N2 O6 Ru -","- C320 H400 N16 O48 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0973","0.0405","","","0.0549","0.0571","","","","","","2.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117969","8.2014","0.0005","22.2986","0.0013","28.7001","0.0017","90","","90","","90","","5248.7","0.5","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ho Si3 -","- C24 H39 Ho Si3 -","- C192 H312 Ho8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.022","0.0176","","","0.0435","0.0457","","","","","","1.047","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117972","8.1874","0.0004","22.3083","0.0012","28.5628","0.0015","90","","90","","90","","5216.9","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Er Si3 -","- C24 H39 Er Si3 -","- C192 H312 Er8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0309","0.0231","","","0.047","0.0494","","","","","","1.092","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117985","12.40931","0.00014","14.52864","0.00016","27.6028","0.0003","90","","90","","90","","4976.52","0.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B F4 Fe N5 S -","- C26 H24 B F4 Fe N5 S -","- C208 H192 B8 F32 Fe8 N40 S8 -","8","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0355","0.0297","","","0.0739","0.077","","","","","","1.051","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4118006","19.9666","0.0013","11.1947","0.0007","32.531","0.002","90","","90","","90","","7271.3","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jongc04","Tp'Rh(CNneopentyl)(CCSiMe3)Cl","","- C32 H48 B Cl N7 Rh Si -","- C32 H48 B Cl N7 Rh Si -","- C256 H384 B8 Cl8 N56 Rh8 Si8 -","8","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0891","0.046","","","0.1179","0.1293","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118009","14.951","0.002","16.424","0.002","17.657","0.002","90","","90","","90","","4335.8","0.9","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","Cp2Zr[N(t-Bu)SiHMe2]OTf","","","- C17 H26 F3 N O3 S Si Zr -","- C17 H26 F3 N O3 S Si Zr -","- C136 H208 F24 N8 O24 S8 Si8 Zr8 -","8","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0646","0.0337","","","0.0691","0.0806","","","","","","0.997","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118042","17.3147","0.0007","12.8809","0.0009","21.1273","0.0011","90","","90","","90","","4712","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(pytren-al)](ClO4)2","","","- C16 H30 Cl2 Cu N6 O8 -","- C16 H30 Cl2 Cu N6 O8 -","- C128 H240 Cl16 Cu8 N48 O64 -","8","1","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.2335","0.1075","","","0.2313","0.3395","","","","","","1.004","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118043","12.9833","0.0004","14.3872","0.0004","15.1944","0.0004","90","","90","","90","","2838.21","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H22 F6 P2 -","- C9 H22 F6 P2 -","- C72 H176 F48 P16 -","8","1","","Liyu Jin; Kate M. Nairn; Craig M. Forsyth; Aaron J. Seeber; Douglas R. MacFarlane; Patrick C. Howlett; Maria Forsyth; Jennifer M. Pringle","Structure and Transport Properties of a Plastic Crystal Ion Conductor: Diethyl(methyl)(isobutyl)phosphonium Hexafluorophosphate","Journal of the American Chemical Society","2012","134","","9688","9697","10.1021/ja301175v","","","0.71073","MoKα","","0.0537","0.0366","","","0.0878","0.0976","","","","","","1.045","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118108","16.7015","0.0005","6.6866","0.0002","17.7346","0.0005","90","","90","","90","","1980.53","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-hyponitrite 2,2-bipridine nickel (II)","","- C10 H8 N4 Ni O2 -","- C10 H8 N4 Ni O2 -","- C80 H64 N32 Ni8 O16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0558","0.0309","","","0.0607","0.068","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118203","13.891","0.002","10.0196","0.0018","22.79","0.002","90","","90","","90","","3172","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Br N O5 S -","- C12 H22 Br N O5 S -","- C96 H176 Br8 N8 O40 S8 -","8","1","","Christopher S. Adams; Luke A. Boralsky; Ilia A. Guzei; Jennifer M. Schomaker","Modular Functionalization of Allenes to Aminated Stereotriads","Journal of the American Chemical Society","2012","134","","10807","10810","10.1021/ja304859w","","","1.54178","CuKα","","0.0409","0.0345","","","0.0814","0.0853","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118245","11.5987","0.0018","10.7814","0.0016","23.414","0.004","90","","90","","90","","2927.9","0.8","273","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 N O2 P -","- C12 H22 N O2 P -","- C96 H176 N8 O16 P8 -","8","1","","Nicole L. Dunn; Minji Ha; Alexander T. Radosevich","Main Group Redox Catalysis: Reversible PIII/PV Redox Cycling at a Phosphorus Platform","Journal of the American Chemical Society","2012","134","","11330","11333","10.1021/ja302963p","","","0.71073","MoKα","","0.0742","0.0588","","","0.1305","0.1382","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118248","10.699","0.0011","18.0954","0.0019","20.924","0.002","90","","90","","90","","4050.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H25 B F3 N O4 -","- C18 H25 B F3 N O4 -","- C144 H200 B8 F24 N8 O32 -","8","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.0659","0.0424","","","0.0942","0.1051","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118444","13.0479","0.0004","14.4505","0.0005","24.4704","0.0008","90","","90","","90","","4613.9","0.3","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 O3 Si -","- C23 H38 O3 Si -","- C184 H304 O24 Si8 -","8","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0763","0.0696","","","0.1892","0.197","","","","","","1.027","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118521","9.5549","0.0006","5.8171","0.0004","15.2998","0.001","90","","90","","90","","850.39","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N2 S -","- C3 H4 N2 S -","- C24 H32 N16 S8 -","8","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0255","0.0222","","","0.0586","0.061","","","","","","1.064","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118538","14.8107","0.0003","20.4279","0.0003","22.5012","0.0005","90","","90","","90","","6807.8","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F6 P2 Pt -","- C32 H48 F6 P2 Pt -","- C256 H384 F48 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.091","0.0507","","","0.0985","0.1099","","","","","","0.982","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118539","16.2512","0.0002","17.3402","0.0002","23.8768","0.0003","90","","90","","90","","6728.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F5 I P2 Pt -","- C32 H48 F5 I P2 Pt -","- C256 H384 F40 I8 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0466","0.0334","","","0.0772","0.0825","","","","","","1.074","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118561","8.6294","0.0002","18.2879","0.0005","25.7845","0.0006","90","","90","","90","","4069.14","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N P -","- C28 H20 N P -","- C224 H160 N8 P8 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.0381","0.0338","","","0.0853","0.0885","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118682","5.4494","0.0002","13.956","0.0006","38.3035","0.0016","90","","90","","90","","2913.1","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0706","0.0535","","0.1586","0.1289","0.1586","","","","","","0.8702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118683","7.6002","0.0011","14.786","0.002","26.613","0.004","90","","90","","90","","2990.7","0.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C128 H168 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0917","0.0843","","0.1765","0.1617","0.1765","","","","","","1.0759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118700","5.9275","0.0002","22.3693","0.0008","25.6873","0.0009","90","","90","","90","","3406","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.0456","0.0361","","","0.0901","0.0965","","","","","","1.021","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118711","17.72","0.007","27.001","0.011","34.238","0.014","90","","90","","90","","16381","11","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 Er3 N16 O5 -","- C72 H60 Cl9 Er3 N16 O5 -","- C576 H480 Cl72 Er24 N128 O40 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.2539","0.1456","","","0.3499","0.4152","","","","","","1.118","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118712","17.768","0.008","26.809","0.011","34.069","0.014","90","","90","","90","","16229","12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 N16 O5 Yb3 -","- C72 H60 Cl9 N16 O5 Yb3 -","- C576 H480 Cl72 N128 O40 Yb24 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.253","0.1561","","","0.3685","0.4357","","","","","","1.141","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118722","14.539","0.0012","5.798","0.0006","24.629","0.002","90","","90","","90","","2076.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F3 O -","- C13 H9 F3 O -","- C104 H72 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0591","0.0419","","","0.1044","0.1138","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118723","14.8625","0.0009","5.8223","0.0003","20.7554","0.0011","90","","90","","90","","1796.05","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl F3 O -","- C9 H6 Cl F3 O -","- C72 H48 Cl8 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0583","0.0476","","","0.1271","0.1368","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118811","20.709","0.003","12.9232","0.0018","23.009","0.003","90","","90","","90","","6157.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 Br4 Cl4 O3 -","- C30 H20 Br4 Cl4 O3 -","- C240 H160 Br32 Cl32 O24 -","8","1","","Hiroki Takezawa; Takashi Murase; Makoto Fujita","Temporary and Permanent Trapping of the Metastable Twisted Conformer of an Overcrowded Chromic Alkene via Encapsulation","Journal of the American Chemical Society","2012","134","","17420","17423","10.1021/ja308101a","","","0.71073","MoKα","","0.0672","0.0405","","","0.0721","0.0838","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118814","14.3146","0.0017","14.1503","0.0017","23.972","0.003","90","","90","","90","","4855.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)aminoisonitrile","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C112 H288 N32 Si32 -","16","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0782","0.0415","","","0.0963","0.1071","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118859","16.0455","0.0003","7.5096","0.0001","26.2686","0.0007","90","","90","","90","","3165.24","0.11","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B N2 -","- C16 H23 B N2 -","- C128 H184 B8 N16 -","8","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1498","0.0855","","","0.2264","0.2769","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118909","10.3044","0.0008","9.1172","0.0007","27.235","0.002","90","","90","","90","","2558.7","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cl N2 O4 -","- C12 H15 Cl N2 O4 -","- C96 H120 Cl8 N16 O32 -","8","1","","Allison K. Griffith; Christine M. Vanos; Tristan H. Lambert","Organocatalytic Carbonyl-Olefin Metathesis","Journal of the American Chemical Society","2012","134","","18581","18584","10.1021/ja309650u","","","0.71073","MoKα","","0.063","0.0496","","","0.1357","0.1465","","","","","","1.035","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118915","13.08228","0.00015","23.1771","0.0003","26.3615","0.0003","90","","90","","90","","7993.05","0.17","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cl Cu F20 N4 -","- C42 H18 B Cl Cu F20 N4 -","- C336 H144 B8 Cl8 Cu8 F160 N32 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0525","0.0305","","","0.0665","0.0699","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118916","13.3059","0.0002","22.9396","0.0005","26.0492","0.0007","90","","90","","90","","7951.1","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cu F20 N5 O2 -","- C42 H18 B Cu F20 N5 O2 -","- C336 H144 B8 Cu8 F160 N40 O16 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0428","0.0317","","","0.0784","0.0833","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118986","10.724","0.004","20.898","0.008","28.226","0.011","90","","90","","90","","6326","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H53 B F N2 -","- C35 H53 B F N2 -","- C280 H424 B8 F8 N16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.1112","0.0949","","","0.1745","0.1811","","","","","","1.295","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119000","15.455","0.002","14.2299","0.0014","9.9701","0.0009","90","","90","","90","","2192.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0842","0.0765","","","0.1271","0.1299","","","","","","1.346","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119035","17.0906","0.0003","22.3234","0.0004","26.9891","0.0005","90","","90","","90","","10296.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 B F5 Fe P4 -","- C54 H42 B F5 Fe P4 -","- C432 H336 B8 F40 Fe8 P32 -","8","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.0859","0.0558","","","0.1391","0.1488","","","","","","0.962","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119057","20.693","0.0013","26.3422","0.0016","28.8106","0.0016","90","","90","","90","","15704.6","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C82 H92 Cl6 Cs F N4 O11 -","- C79 H85 Cs F N4 O10 -","- C632 H680 Cs8 F8 N32 O80 -","8","1","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","0.71069","MoKα","","0.1695","0.0917","","","0.175","0.1926","","","","","","1.255","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119098","15.032","0.0019","10.7427","0.0014","20.453","0.003","90","","90","","90","","3302.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cu N4 -","- C16 H26 Cu N4 -","- C128 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0629","0.0392","","","0.094","0.1074","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119130","12.2218","0.0008","14.4999","0.0013","31.323","0.002","90","","90","","90","","5550.9","0.7","103.15","","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H45 B Cl Ir N2 P2 -","- C24 H45 B Cl Ir N2 P2 -","- C192 H360 B8 Cl8 Ir8 N16 P16 -","8","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.041","0.0369","","","0.0714","0.0733","","","","","","1.179","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119224","17.236","0.0019","15.7823","0.0017","19.047","0.002","90","","90","","90","","5181.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Al Cl6 N O4 -","- C25 H20 Al Cl6 N O4 -","- C200 H160 Al8 Cl48 N8 O32 -","8","1","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0404","0.0287","","","0.0663","0.0728","","","","","","1.074","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119323","14.9027","0.0012","11.4929","0.0009","19.6962","0.0016","90","","90","","90","","3373.5","0.5","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 Br4 N4 U -","- C24 H58 Br4 N4 U -","- C96 H232 Br16 N16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0561","0.0332","","","0.0837","0.0903","","","","","","1.263","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119369","22.7381","0.0016","14.1039","0.0003","11.6051","0.0002","90","","90","","90","","3721.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C168 H208 Cl8 N8 -","8","1","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","0.71075","MoKα","","0.0621","0.045","","","0.1078","0.115","","","","","","1.081","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119428","19.6929","0.0009","12.2836","0.0006","24.709","0.0011","90","","90","","90","","5977.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H34 B Cl4 N6 O3 V -","- C26 H34 B Cl4 N6 O3 V -","- C208 H272 B8 Cl32 N48 O24 V8 -","8","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54178","Cu-Kα","","0.0505","0.0342","","","0.0774","0.0835","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119471","26.2296","0.0012","19.7982","0.0009","26.5304","0.0011","90","","90","","90","","13777.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H66 B2 Cu F24 P3 -","- C68 H66 B2 Cu F24 P3 -","- C544 H528 B16 Cu8 F192 P24 -","8","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0779","0.0461","","","0.1105","0.1299","","","","","","1.042","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119496","16.206","0.004","25.131","0.006","25.621","0.006","90","","90","","90","","10435","4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H87 N2 O4 P Pd -","- C54 H87 N2 O4 P Pd -","- C432 H696 N16 O32 P8 Pd8 -","8","1","","Julie Broggi; Václav Jurčík; Olivier Songis; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Catherine S. J. Cazin","The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid","Journal of the American Chemical Society","2013","135","","4588","4591","10.1021/ja311087c","","","0.71073","MoKα","","0.1742","0.0911","","","0.1796","0.2133","","","","","","1.04","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119564","16.7864","0.0002","18.5842","0.0003","18.8141","0.0003","90","","90","","90","","5869.28","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H32 Br2 O2 -","- C35 H32 Br2 O2 -","- C280 H256 Br16 O16 -","8","1","","Chien-Tien Chen; Chien-Hsiang Chen; Tiow-Gan Ong","Complementary Helicity Interchange of Optically Switchable Supramolecular-Enantiomeric Helicenes with (-)-Gel-Sol-(+)-Gel Transition Ternary Logic","Journal of the American Chemical Society","2013","135","","5294","5297","10.1021/ja401214t","","","0.71073","MoKα","","0.1008","0.0556","","","0.128","0.1548","","","","","","1.166","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119565","13.7342","0.0013","19.8332","0.0018","21.935","0.002","90","","90","","90","","5974.9","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H38 N4 O6 S2 -","- C31 H38 N4 O6 S2 -","- C248 H304 N32 O48 S16 -","8","1","","Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang","Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide","Journal of the American Chemical Society","2013","135","","5312","5315","10.1021/ja401555y","","","0.71073","MoKα","","0.1413","0.1192","","","0.3023","0.3133","","","","","","1.06","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119636","16.077","0.017","12.478","0.013","28.12","0.03","90","","90","","90","","5641","10","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1","","","- C16 H32 Cl7 O4 W3 -","- C16 H32 Cl7 O4 W3 -","- C128 H256 Cl56 O32 W24 -","8","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1752","0.1289","","","0.3048","0.3467","","","","","","1.127","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119646","6.5675","0.0002","17.084","0.0005","21.3686","0.0007","90","","90","","90","","2397.54","0.13","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B F3 N2 -","- C12 H14 B F3 N2 -","- C96 H112 B8 F24 N16 -","8","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.0546","0.0416","","","0.1039","0.1125","","","","","","1.035","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119713","9.4408","0.0016","15.402","0.003","34.191","0.006","90","","90","","90","","4971.6","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H25 N O -","- C36 H25 N O -","- C288 H200 N8 O8 -","8","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0946","0.0564","","","0.1268","0.1506","","","","","","1.029","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119741","23.7483","0.0006","21.7534","0.0006","17.4494","0.0004","90","","90","","90","","9014.5","0.4","130","2","130","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C38 H53 B Cl4 Co Mo N7 O4 S -","- C38 H49 B Cl2 Co Mo N6 O4 S -","- C304 H392 B8 Cl16 Co8 Mo8 N48 O32 S8 -","8","1","","Victor W. L. Ng; Jonathan M. White; Charles G. Young","Structural Characterization and Unusual Reactivity of Oxosulfido-Mo(V) Compounds: Implications for the Structure and Electronic Description of the Very Rapid Form of Xanthine Oxidase","Journal of the American Chemical Society","2013","135","","7106","7109","10.1021/ja4022057","","","1.5418","CuKα","","0.1371","0.0603","","","0.1092","0.1273","","","","","","0.808","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119748","12.5373","0.0007","13.0195","0.0007","16.9104","0.001","90","","90","","90","","2760.3","0.3","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0441","0.0392","","","0.1054","0.1096","","","","","","1.046","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119761","15.1437","0.0008","10.5693","0.0005","10.0807","0.0006","90","","90","","90","","1613.5","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.1005","0.0492","","0.1034","0.074","0.1034","","","","","","0.9706","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119762","14.3358","0.0005","10.7957","0.0003","9.8884","0.0003","90","","90","","90","","1530.38","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0339","0.024","","0.0455","0.0374","0.0448","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119763","14.3999","0.0005","10.7847","0.0003","9.8963","0.0003","90","","90","","90","","1536.88","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0397","0.027","","0.0429","0.0363","0.0429","","","","","","0.9309","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119764","14.4689","0.0005","10.7738","0.0003","9.9041","0.0003","90","","90","","90","","1543.9","0.08","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0392","0.0263","","0.0546","0.0438","0.0546","","","","","","0.9507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119765","14.5094","0.0005","10.7659","0.0004","9.9113","0.0003","90","","90","","90","","1548.21","0.09","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.043","0.028","","0.0522","0.0436","0.0522","","","","","","0.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119766","14.609","0.0005","10.7472","0.0004","9.9276","0.0004","90","","90","","90","","1558.69","0.1","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0469","0.0293","","0.0524","0.042","0.0519","","","","","","0.9542","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119767","14.7195","0.0006","10.7233","0.0004","9.95","0.0004","90","","90","","90","","1570.52","0.11","360","","360","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0562","0.0314","","0.0598","0.0442","0.0598","","","","","","0.9547","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119768","14.8002","0.0007","10.7012","0.0005","9.9666","0.0005","90","","90","","90","","1578.51","0.13","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0639","0.0368","","0.0872","0.0648","0.0872","","","","","","0.9893","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119769","14.9768","0.0008","10.6404","0.0005","10.0105","0.0006","90","","90","","90","","1595.26","0.15","460","","460","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0788","0.0414","","0.0811","0.0589","0.0811","","","","","","0.9968","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119772","12.2842","0.0016","7.6537","0.001","7.5151","0.001","90","","90","","90","","706.57","0.16","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.677","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119773","12.67156","0.00063","6.99321","0.0006","6.77444","0.00045","90","","90","","90","","600.32","0.07","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.476","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119774","12.65365","0.0009","6.96095","0.00065","6.71431","0.00052","90","","90","","90","","591.41","0.08","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.217","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119793","12.0702","0.0007","16.4669","0.0009","37.181","0.002","90","","90","","90","","7390.1","0.7","143","2","143","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H51 Bi F3 N3 O4 S Si -","- C32 H51 Bi F3 N3 O4 S Si -","- C256 H408 Bi8 F24 N24 O32 S8 Si8 -","8","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0234","0.0177","","","0.0384","0.0401","","","","","","1.039","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119833","22.8044","0.0009","41.7897","0.0011","17.9753","0.0009","90","","90","","90","","17130.3","1.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H80 Co2 F24 N8 O8 P4 -","- C63 H68 Co2 F18 N8 O6 P3 -","- C504 H544 Co16 F144 N64 O48 P24 -","8","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.1545","0.1114","","","0.3037","0.3312","","","","","","0.986","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119858","20.971","0.0016","16.6536","0.0013","22.7371","0.0017","90","","90","","90","","7940.8","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Complex 2b","","","- C41 H54 F6 N3 Nb -","- C41 H54 F6 N3 Nb -","- C328 H432 F48 N24 Nb8 -","8","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0307","0.0263","","","0.0611","0.0651","","","","","","1.074","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119877","8.5441","0.0017","14.75","0.004","32.006","0.007","90","","90","","90","","4033.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0962","0.0653","","","0.1474","0.2077","","","","","","1.738","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119903","10.7756","0.0006","12.166","0.0007","25.4888","0.0016","90","","90","","90","","3341.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H28 B Cl N2 -","- C15 H28 B Cl N2 -","- C120 H224 B8 Cl8 N16 -","8","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0565","0.0403","","","0.094","0.1013","","","","","","1.05","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119922","15.2691","0.0004","14.7958","0.0004","45.4046","0.0011","90","","90","","90","","10257.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B Fe O4 P -","- C26 H36 B Fe O4 P -","- C416 H576 B16 Fe16 O64 P16 -","16","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0661","0.0439","","","0.0954","0.104","","","","","","1.139","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119933","17.5236","0.0005","18.1897","0.0006","20.2976","0.0003","90","","90","","90","","6469.8","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H34 B F10 P -","- C37 H34 B F10 P -","- C296 H272 B8 F80 P8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0597","0.0452","","","0.1057","0.1149","","","","","","1.028","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119936","16.4556","0.0007","16.7148","0.0006","24.6103","0.0008","90","","90","","90","","6769.1","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H32 B F10 O2 P S -","- C37 H32 B F10 O2 P S -","- C296 H256 B8 F80 O16 P8 S8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.1064","0.0572","","","0.1202","0.1444","","","","","","1.039","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4120018","8.3212","0.0003","22.1167","0.0008","29.02","0.0011","90","","90","","90","","5340.8","0.3","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Pr Si3 -","- C24 H39 Pr Si3 -","- C192 H312 Pr8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0213","0.0161","","","0.0366","0.0387","","","","","","1.03","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120019","8.2454","0.0005","22.2395","0.0014","28.8097","0.0019","90","","90","","90","","5282.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Gd Si3 -","- C24 H39 Gd Si3 -","- C192 H312 Gd8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0285","0.0191","","","0.0395","0.0426","","","","","","1.017","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120020","8.2228","0.0004","22.232","0.001","28.7772","0.0013","90","","90","","90","","5260.7","0.4","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tb -","- C24 H39 Si3 Tb -","- C192 H312 Si24 Tb8 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.028","0.0214","","","0.0415","0.0431","","","","","","1.172","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120072","18.7861","0.0017","16.3476","0.0015","34.614","0.003","90","","90","","90","","10630.2","1.7","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Ge Se2 -","- C60 H74 Ge Se2 -","- C480 H592 Ge8 Se16 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0371","0.0298","","","0.0709","0.073","","","","","","1.042","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120103","7.5545","0.0002","50.5515","0.0015","10.7005","0.0004","90","","90","","90","","4086.4","0.2","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 O -","- C30 H20 O -","- C240 H160 O8 -","8","1","","Jian Zhao; Kazuaki Oniwa; Naoki Asao; Yoshinori Yamamoto; Tienan Jin","Pd-Catalyzed Cascade Crossover Annulation of o-Alkynylarylhalides and Diarylacetylenes Leading to Dibenzo[a,e]pentalenes","Journal of the American Chemical Society","2013","135","","10222","10225","10.1021/ja403382d","","","0.71075","MoKα","","0.0899","0.0543","","","0.1241","0.1399","","","","","","1.079","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120189","9.5412","0.0002","15.319","0.0004","27.2286","0.0006","90","","90","","90","","3979.78","0.16","173","2","173","2","","","101","","","","","3","P b c a","-P 2ac 2ab","61","diphenyl(2,6-diisopropylphenyl)phosphine","diphenyl(2,6-diisopropylphenyl)phosphane(III)","","- C24 H27 P -","- C24 H27 P -","- C192 H216 P8 -","8","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.1024","0.0473","","","0.1071","0.1271","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120204","13.1554","0.001","22.5085","0.0017","33.078","0.003","90","","90","","90","","9794.7","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","3d","","","- C40 H50 B20 Co Fe2 O2 S4 -","- C40 H50 B20 Co Fe2 O2 S4 -","- C320 H400 B160 Co8 Fe16 O16 S32 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.084","0.049","","","0.1095","0.1256","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120208","12.276","0.006","13.616","0.007","27.616","0.014","90","","90","","90","","4616","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5d","","","- C20 H26 B10 Fe O S -","- C20 H26 B10 Fe O S -","- C160 H208 B80 Fe8 O8 S8 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0719","0.0544","","","0.122","0.1275","","","","","","1.05","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120267","17.382","0.002","7.0482","0.0009","30.384","0.004","90","","90","","90","","3722.4","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C152 H208 N16 O16 -","8","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0754","0.0517","","","0.1272","0.1444","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120280","18.2032","0.0012","25.9028","0.0011","36.9447","0.0018","90","","90","","90","","17419.9","1.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H140 K O22 Si4 U -","- C67 H140 K O22 Si4 U -","- C536 H1120 K8 O176 Si32 U8 -","8","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1853","0.0729","","","0.1034","0.1384","","","","","","0.98","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120330","10.255","0.0006","15.159","0.0011","24.5615","0.0014","90","","90","","90","","3818.2","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cl2 N2 O4 Si -","- C17 H18 Cl2 N2 O4 Si -","- C136 H144 Cl16 N16 O32 Si8 -","8","1","","Xingwei Guo; Herbert Mayr","Manifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone","Journal of the American Chemical Society","2013","135","","12377","12387","10.1021/ja405890d","","","0.71073","MoKα","","0.0534","0.0365","","","0.0828","0.0935","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120340","14.934","0.002","14.779","0.002","19.118","0.003","90","","90","","90","","4219.5","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl2 Ge N -","- C20 H31 Cl2 Ge N -","- C160 H248 Cl16 Ge8 N8 -","8","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0441","0.0381","","","0.0949","0.0977","","","","","","1.08","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120470","16.947","0.005","23.441","0.007","26.008","0.008","90","","90","","90","","10332","5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H84 O3 Si8 -","- C39 H84 O3 Si8 -","- C312 H672 O24 Si64 -","8","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0763","","","","0.2277","","","","","","1.088","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120482","11.005","0.0003","9.2447","0.0003","34.6234","0.0008","90","","90","","90","","3522.51","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N3 O5 Pt -","- C17 H25 N3 O5 Pt -","- C136 H200 N24 O40 Pt8 -","8","1","","Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Abellan Baeza, Patricia; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Andolina, Christopher; Millstone, Jill; Howell, Stephen B.; Browning, Nigel D.; Evans, James E.; Gianneschi, Nathan C.","Dynamics of soft nanomaterials captured by transmission electron microscopy in liquid water.","Journal of the American Chemical Society","2014","136","4","1162","1165","10.1021/ja408513m","","x-ray","1.54178","CuKα","K-L~3~","0.0946","0.0745","","","0.1651","0.1731","","","","","","1.269","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120516","19.7846","0.0011","25.88","0.0014","26.6463","0.0013","90","","90","","90","","13643.6","1.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[CP3HFeN2]BArF","","","- C69 H66 B Cl0.12 F24 Fe N1.77 P3 -","- C69 H67 B Cl0.114 F24 Fe N1.772 P3 -","- C552 H536 B8 Cl0.912 F192 Fe8 N14.176 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.1307","0.0832","","","0.2142","0.245","","","","","","1.021","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120519","13.2892","0.0012","18.1896","0.0017","18.2801","0.0017","90","","90","","90","","4418.8","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl N4 Rh -","- C24 H28 Cl N4 Rh -","- C192 H224 Cl8 N32 Rh8 -","8","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0759","0.0406","","","0.0913","0.1254","","","","","","1.177","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120525","18.7239","0.0006","14.7354","0.0005","20.3319","0.0008","90","","90","","90","","5609.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","nd190","","","- C28 H42 B Ga N2 -","- C28 H42 B Ga N2 -","- C224 H336 B8 Ga8 N16 -","8","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0593","0.0475","","","0.099","0.1031","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120570","12.87","0.0012","9.8433","0.0009","28.98","0.003","90","","90","","90","","3671.3","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl F3 N3 O3 Pt S -","- C14 H15 Cl F3 N3 O3 Pt S -","- C112 H120 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0284","0.0202","","","0.0398","0.0426","","","","","","1.116","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120670","29.4297","0.0007","24.1596","0.0006","31.8628","0.0009","90","","90","","90","","22654.8","1","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10 -","- C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8 -","- C584 H608 Ag8 Cu16 F96 Ir32 N64 O224 S32 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1009","0.0728","","","0.1942","0.2109","","","","","","1.065","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120703","17.919","0.002","15.3943","0.0015","9.6893","0.0012","90","","90","","90","","2672.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C104 H152 N24 O16 -","8","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.1167","0.0935","","","0.1839","0.1971","","","","","","1.115","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120755","13.9876","0.0001","21.0189","0.0002","25.6451","0.0002","90","","90","","90","","7539.76","0.11","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 Li2 N2 O Si2 -","- C36 H54 Li2 N2 O Si2 -","- C288 H432 Li16 N16 O8 Si16 -","8","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0561","0.0412","","","0.1091","0.1176","","","","","","1.078","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4120779","19.0012","0.0011","24.6026","0.0013","25.8588","0.0013","90","","90","","90","","12088.4","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H76 Cu N5 O2 -","- C62 H76 Cu N5 O2 -","- C496 H608 Cu8 N40 O16 -","8","1","","Joby Winn; Aleksandra Pinczewska; Stephen M. Goldup","Synthesis of a Rotaxane CuI Triazolide under Aqueous Conditions","Journal of the American Chemical Society","2013","135","","13318","13321","10.1021/ja407446c","","","1.54178","CuKα","","0.2245","0.2194","","","0.4507","0.4524","","","","","","1.073","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120797","15.394","0.009","11.4","0.007","23.46","0.014","90","","90","","90","","4117","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0631","0.0477","","","0.1332","0.1461","","","","","","1.046","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120800","18.05","0.003","10.4739","0.0017","20.8","0.003","90","","90","","90","","3932.3","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0655","0.0519","","","0.139","0.1497","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120840","11.65041","0.00018","14.6344","0.0002","28.0712","0.0005","90","","90","","90","","4786.05","0.13","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.0447","0.0364","","","0.0908","0.0948","","","","","","1.037","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120933","19.2322","0.0007","20.4284","0.0008","21.0029","0.0008","90","","90","","90","","8251.7","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Au Cl2 F6 N3 Sb -","- C38 H55 Au Cl2 F6 N3 Sb -","- C304 H440 Au8 Cl16 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0434","0.032","","","0.0815","0.0884","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120954","11.8394","0.0012","14.3974","0.0016","32.035","0.003","90","","90","","90","","5460.6","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tBuP2BHCoBH4","","","- C24 H49 B2 Co N2 P2 -","- C24 H49 B2 Co N2 P2 -","- C192 H392 B16 Co8 N16 P16 -","8","1","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.071","0.0442","","","0.1332","0.15","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120984","19.29","0.0011","16.1824","0.0009","23.3891","0.0013","90","","90","","90","","7301.1","0.7","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H44 B2 F8 P2 Pd2 S -","- C34 H44 B2 F8 P2 Pd2 S -","- C272 H352 B16 F64 P16 Pd16 S8 -","8","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0418","0.0269","","","0.0624","0.0719","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121048","15.1866","0.0009","14.0426","0.0008","26.4214","0.0015","90","","90","","90","","5634.6","0.6","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","jonyj27","","","- C23 H41 B N6 O0.26 P Rh Si -","- C23 H41 B N6 O0.256 P Rh Si -","- C184 H328 B8 N48 O2.048 P8 Rh8 Si8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0917","0.0466","","","0.095","0.1147","","","","","","1.006","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121050","16.8292","0.0009","13.9712","0.0008","21.4798","0.0012","90","","90","","90","","5050.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj30","","","- C21 H32 B F3 N6 P Rh -","- C21 H32 B F3 N6 P Rh -","- C168 H256 B8 F24 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0943","0.0551","","","0.1387","0.1662","","","","","","1.007","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121053","13.377","0.0018","13.806","0.0018","30.587","0.004","90","","90","","90","","5648.9","1.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj17","","","- C24 H42 B Br N6 P Rh -","- C24 H42 B Br N6 P Rh -","- C192 H336 B8 Br8 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0912","0.0436","","","0.0813","0.0954","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121148","7.5228","0.0004","7.389","0.0004","22.608","0.0013","90","","90","","90","","1256.69","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 Mo N O3 -","- C5 H5 Mo N O3 -","- C40 H40 Mo8 N8 O24 -","8","1","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.7749","","","0.0506","0.0501","","","0.1256","0.1258","","","","","","1.387","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121162","20.923","0.002","14.1629","0.0014","22.317","0.002","90","","90","","90","","6613.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(BDI)ZnFp","","","- C36 H46 Fe N2 O2 Zn -","- C36 H46 Fe N2 O2 Zn -","- C288 H368 Fe8 N16 O16 Zn8 -","8","1","","Thomas J. Mazzacano; Neal P. Mankad","Base Metal Catalysts for Photochemical C-H Borylation That Utilize Metal-Metal Cooperativity","Journal of the American Chemical Society","2013","135","","17258","17261","10.1021/ja408861p","","","0.71073","MoKα","","0.0378","0.0286","","","0.0714","0.0766","","","","","","1.044","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121197","16.4518","0.0006","15.2154","0.0006","24.1031","0.0009","90","","90","","90","","6033.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H21 Cl4 Cr2 N O6 Pd -","- C29 H21 Cl4 Cr2 N O6 Pd -","- C232 H168 Cl32 Cr16 N8 O48 Pd8 -","8","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0658","0.0471","","","0.0876","0.0965","","","","","","1.152","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121274","16.4396","0.0003","17.2702","0.0003","23.2971","0.0005","90","","90","","90","","6614.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 B F10 O P -","- C38 H32 B F10 O P -","- C304 H256 B8 F80 O8 P8 -","8","1","","Muhammad Sajid; Arunlibertsen Lawzer; Weishi Dong; Christoph Rosorius; Wolfram Sander; Birgitta Schirmer; Stefan Grimme; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs","Journal of the American Chemical Society","2013","135","","18567","18574","10.1021/ja408815k","","","1.54178","CuKα","","0.0418","0.0378","","","0.0947","0.0974","","","","","","1.031","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121285","20.346","0.002","15.4644","0.0016","23.164","0.002","90","","90","","90","","7288.3","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H55 N2 Ni Si2 -","- C34 H55 N2 Ni Si2 -","- C272 H440 N16 Ni8 Si16 -","8","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.0525","0.043","","","0.1126","0.1168","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121297","12.5259","0.0003","23.4672","0.0007","31.3977","0.0009","90","","90","","90","","9229.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H80 N4 Ni Si4 -","- C38 H80 N4 Ni Si4 -","- C304 H640 N32 Ni8 Si32 -","8","1","","Shigeyoshi Inoue; Carsten Eisenhut","A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride","Journal of the American Chemical Society","2013","135","","18315","18318","10.1021/ja410528y","","","1.54184","CuKα","","0.0396","0.032","","","0.0797","0.0849","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121542","14.5577","0.0004","22.5689","0.0007","27.0099","0.0008","90","","90","","90","","8874.1","0.5","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H51 Cl4 P3 Ru -","- C49 H51 Cl4 P3 Ru -","- C392 H408 Cl32 P24 Ru8 -","8","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0289","0.026","","","0.0625","0.0641","","","","","","1.051","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121632","13.8171","0.0004","22.9181","0.0006","26.2263","0.0008","90","","90","","90","","8304.9","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Li2 N10 Si6 U2 -","- C66 H152 Li2 N10 Si6 U2 -","- C264 H608 Li8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.0566","0.0317","","","0.052","0.0578","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121634","13.81027","0.00012","23.1784","0.0002","26.5707","0.0002","90","","90","","90","","8505.28","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0308","0.026","","","0.0605","0.063","","","","","","1.043","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121635","13.7768","0.0002","23.1164","0.0004","26.8905","0.0005","90","","90","","90","","8563.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 N10 Rb2 Si6 U2 -","- C66 H152 N10 Rb2 Si6 U2 -","- C264 H608 N40 Rb8 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0752","0.0439","","","0.0948","0.1103","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121636","13.8289","0.0005","22.9287","0.0009","27.1901","0.0013","90","","90","","90","","8621.4","0.6","120","","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Cs2 N10 Si6 U2 -","- C66 H152 Cs2 N10 Si6 U2 -","- C264 H608 Cs8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.133","0.1154","","","0.2195","0.2274","","","","","","1.224","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121753","10.1031","0.0007","7.7315","0.0005","18.6457","0.0012","90","","90","","90","","1456.46","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","RR unknown","","","- C7 H8 Cl N O -","- C7 H8 Cl N O -","- C56 H64 Cl8 N8 O8 -","8","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","1.54178","CuKα","","0.0295","0.0291","","","0.0837","0.084","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121766","27.8747","0.0004","13.78762","0.00017","45.415","0.0005","90","","90","","90","","17454.2","0.4","90","0.1","90","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.1 H41.53 I6 N14.07 O3.23 Pd S1.8 Zn3 -","- C60.0996 H41.533 I6 N14.0666 O3.2332 Pd S1.8 Zn3 -","- C480.797 H332.264 I48 N112.533 O25.8656 Pd8 S14.4 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0717","0.0616","","","0.1835","0.1917","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121767","27.6775","0.0009","13.7981","0.0003","44.3415","0.0011","90","","90","","90","","16933.9","0.8","90","0.1","90","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C425.6 H299.2 Br8 I48 N116.8 Pd8 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.1865","0.1278","","","0.3569","0.387","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121768","27.5504","0.0003","13.8353","0.00019","44.5398","0.0006","90","","90","","90","","16977.1","0.4","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C417.2 H268 Br8 I48 N103.6 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0894","0.0825","","","0.2713","0.2791","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121769","27.774","0.003","13.8933","0.0016","44.585","0.005","90","","90","","90","","17204","3","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.19 H44.78 I6 N15.59 O Pd S2 Zn3 -","- C60.1859 H44.7804 I6 N15.5938 O0.9999 Pd0.9999 S1.9998 Zn3 -","- C481.487 H358.243 I48 N124.75 O7.9992 Pd7.9992 S15.9984 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.113","0.0754","","","0.1915","0.2142","","","","","","0.874","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121771","15.1843","0.0012","12.3918","0.0009","27.434","0.002","90","","90","","90","","5162","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H45 Cl2 N2 P2 Re -","- C20 H45 Cl2 N2 P2 Re -","- C160 H360 Cl16 N16 P16 Re8 -","8","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0604","0.0329","","","0.0518","0.0593","","","","","","1.05","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121903","12.7335","0.0002","19.3738","0.0002","31.7858","0.0004","90","","90","","90","","7841.44","0.18","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H36 Cl2 Cu N4 O6 -","- C45 H36 Cl2 Cu N4 O6 -","- C360 H288 Cl16 Cu8 N32 O48 -","8","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0729","0.0396","","","0.0882","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121973","17.9675","0.0015","17.8594","0.0015","16.2715","0.0013","90","","90","","90","","5221.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Yb2 -","- C64 H76 N4 Yb2 -","- C256 H304 N16 Yb8 -","4","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0563","0.0344","","","0.0783","0.0855","","","","","","1.003","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121977","10.9776","0.0003","9.9868","0.0003","28.5806","0.0008","90","","90","","90","","3133.32","0.15","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0339","0.0324","","","0.0803","0.0814","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122075","12.9728","0.0019","34.25","0.006","15.554","0.002","90","","90","","90","","6910.9","1.8","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H55 Al2 Cl3 Si2 -","- C27 H55 Al2 Cl3 Si2 -","- C216 H440 Al16 Cl24 Si16 -","8","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0698","0.0544","","","0.1087","0.1157","","","","","","1.117","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122172","16.4902","0.0011","15.3364","0.001","17.0776","0.0011","90","","90","","90","","4318.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_3b","cmpd_trans_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0211","0.0152","","","0.0297","0.0311","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122176","16.5274","0.0018","15.3353","0.0017","17.172","0.0019","90","","90","","90","","4352.3","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_4b","cmpd_trans_4b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C184 H272 N24 Nb8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0311","0.0234","","","0.0496","0.0533","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122261","11.9905","0.0019","15.728","0.002","16.06","0.003","90","","90","","90","","3028.7","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","1.54178","CuKα","","0.039","0.0374","","","0.0993","0.101","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122264","13.941","0.004","14.762","0.004","30.916","0.009","90","","90","","90","","6362","3","93","","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Cl Ge N2 O4 -","- C37 H37 Cl Ge N2 O4 -","- C296 H296 Cl8 Ge8 N16 O32 -","8","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.0777","0.0754","","","0.1218","0.1229","","","","","","1.328","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122284","11.7278","0.0005","18.4783","0.0008","23.7323","0.0011","90","","90","","90","","5143","0.4","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C272 H176 N32 O16 -","8","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0443","0.0334","","","0.0824","0.0906","","","","","","1.039","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122320","12.601","0.003","16.923","0.003","20.807","0.004","90","","90","","90","","4437","1.6","12","2","12","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","diaryltellurium acetimidate","","","- C26 H27 N3 O Te -","- C26 H27 N3 O Te -","- C208 H216 N24 O8 Te8 -","8","1","","Mallow, Ole; Bolsinger, Jens; Finke, Pamela; Hesse, Malte; Chen, Yu-Sheng; Duthie, Andrew; Grabowsky, Simon; Luger, Peter; Mebs, Stefan; Beckmann, Jens","Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate.","Journal of the American Chemical Society","2014","136","31","10870","10873","10.1021/ja505648x","","","0.4133","synchrotron","","0.066","0.034","","","0.072","0.072","0.052","","","","","1.092","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122381","9.3288","0.0005","8.9949","0.0004","27.023","0.0013","90","","90","","90","","2267.54","0.19","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0599","0.0457","","","0.1032","0.1114","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122393","19.9148","0.0009","16.3924","0.0007","19.9502","0.0009","90","","90","","90","","6512.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H62 N2 O12 P8 -","- C72 H62 N2 O12 P8 -","- C288 H248 N8 O48 P32 -","4","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0465","0.0371","","","0.097","0.1039","","","","","","1.042","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122563","12.015","0.004","7.631","0.003","31.475","0.011","90","","90","","90","","2885.8","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1225","0.0931","","","0.1935","0.204","","","","","","1.182","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122591","9.8979","0.0012","16.1975","0.0017","21.268","0.002","90","","90","","90","","3409.7","0.6","100","","100.01","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C208 H128 O16 -","8","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","1.54178","CuKα","","0.0938","0.085","","","0.2329","0.2393","","","","","","1.068","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122624","11.6572","0.0004","14.3769","0.0005","31.9983","0.0012","90","","90","","90","","5362.7","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","5_(tBuPBP)NiCl","","","- C24 H44 B Cl N2 Ni P2 -","- C24 H44 B Cl N2 Ni P2 -","- C192 H352 B8 Cl8 N16 Ni8 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0302","0.0276","","","0.0721","0.0739","","","","","","1.006","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122627","12.0755","0.0018","14.717","0.002","31.911","0.004","90","","90","","90","","5671.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","8_(tBuPBP)NiOC(H)O","","","- C25 H45 B N2 Ni O2 P2 -","- C25 H45 B N2 Ni O2 P2 -","- C200 H360 B8 N16 Ni8 O16 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1114","0.054","","","0.0991","0.1189","","","","","","1.021","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122642","15.716","0.003","19.409","0.004","20.207","0.004","90","","90","","90","","6164","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H25 B F4 Mo O3 P2 -","- C36 H25 B F4 Mo O3 P2 -","- C288 H200 B8 F32 Mo8 O24 P16 -","8","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0377","0.0335","","","0.087","0.0902","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122645","17.888","0.003","9.4477","0.0014","18.022","0.003","90","","90","","90","","3045.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C112 H168 N8 O16 S8 -","8","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0491","0.0407","","","0.1119","0.1205","","","","","","0.939","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122693","21.7599","0.0004","14.356","0.0002","21.8626","0.0004","90","","90","","90","","6829.6","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H51 N5 Si -","- C36 H51 N5 Si -","- C288 H408 N40 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0673","0.0468","","","0.1099","0.1235","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122703","8.9767","0.0003","9.9161","0.0003","27.7083","0.0019","90","","90","","90","","2466.4","0.2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.1079","0.0549","","","0.1313","0.154","","","","","","0.924","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122751","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122765","11.708","0.001","15.342","0.001","34.461","0.002","90","","90","","90","","6190","0.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C200 H200 Ag8 Cl16 F32 N32 O24 S16 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.0462","","","0.1288","0.141","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122767","22.444","0.001","20.464","0.001","28.423","0.001","90","","90","","90","","13054.5","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C464 H448 Ag16 Cl32 F48 N64 O48 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1354","0.0515","","","0.0834","0.0969","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122771","21.775","0.001","21.08","0.001","27.323","0.002","90","","90","","90","","12541.7","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C408 H436 Ag16 F48 N64 O50 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1343","0.0555","","","0.1049","0.1258","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122847","7.7043","0.0009","15.9073","0.0019","15.9426","0.0019","90","","90","","90","","1953.8","0.4","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.0493","0.0409","","","0.1143","0.1231","","","","","","1.011","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122855","14.73","0.0002","17.6322","0.0002","26.2218","0.0004","90","","90","","90","","6810.39","0.16","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H41 B Cr N2 O6 -","- C34 H41 B Cr N2 O6 -","- C272 H328 B8 Cr8 N16 O48 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0419","0.0377","","0.0959","0.0934","0.0959","","","","","","1.0121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123002","20.3534","0.001","8.3596","0.0005","22.6457","0.0011","90","","90","","90","","3853.1","0.4","122","1","122","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H38 O8 S4 Si2 -","- C34 H38 O8 S4 Si2 -","- C136 H152 O32 S16 Si8 -","4","0.5","","Parker, Christian R.; Leary, Edmund; Frisenda, Riccardo; Wei, Zhongming; Jennum, Karsten S.; Glibstrup, Emil; Abrahamsen, Peter Bæch; Santella, Marco; Christensen, Mikkel A.; Della Pia, Eduardo Antonio; Li, Tao; Gonzalez, Maria Teresa; Jiang, Xingbin; Morsing, Thorbjørn J; Rubio-Bollinger, Gabino; Laursen, Bo W.; Nørgaard, Kasper; van der Zant, Herre; Agrait, Nicolas; Nielsen, Mogens Brøndsted","A Comprehensive Study of Extended Tetrathiafulvalene Cruciform Molecules for Molecular Electronics: Synthesis and Electrical Transport Measurements.","Journal of the American Chemical Society","2014","","","141117163359006","","10.1021/ja509937k","","","0.71073","MoKα","","0.075","0.0426","","","0.0856","0.0981","","","","","","1.0426","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123020","19.2399","0.0015","16.7691","0.0013","24.62","0.002","90","","90","","90","","7943.3","1.1","15","","15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Co4 F6 N5 O12 P -","- C30 H35 Co4 F6 N5 O12 P -","- C240 H280 Co32 F48 N40 O96 P8 -","8","1","","Ullman, Andrew M.; Liu, Yi; Huynh, Michael; Bediako, D. Kwabena; Wang, Hongsen; Anderson, Bryce L.; Powers, David C.; Breen, John J.; Abruña, Héctor D; Nocera, Daniel G.","Water Oxidation Catalysis by Co(II) Impurities in Co(III)4O4 Cubanes.","Journal of the American Chemical Society","2014","","","141204115603004","","10.1021/ja5110393","","","0.41328","synchrotron","","0.0527","0.0336","","","0.0931","0.1187","","","","","","1.211","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4123022","14.4321","0.0004","23.909","0.0006","25.8489","0.0007","90","","90","","90","","8919.3","0.4","104","2","104","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H61 F3 N8 O6 S Zn -","- C41 H61 F3 N8 O6 S Zn -","- C328 H488 F24 N64 O48 S8 Zn8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Fout, Alison R.","Facile Nitrite Reduction in a Non-heme Iron System: Formation of an Iron(III)-Oxo.","Journal of the American Chemical Society","2014","","","141203122255000","","10.1021/ja510615p","","","0.71073","MoKα","","0.0747","0.0547","","","0.1346","0.151","","","","","","1.034","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123078","7.002","0.003","12.529","0.004","32.212","0.011","90","","90","","90","","2825.9","1.8","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl2 N3 P -","- C14 H14 Cl2 N3 P -","- C112 H112 Cl16 N24 P8 -","8","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0465","0.042","","","0.103","0.1056","","","","","","1.112","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123131","8.1887","0.0005","10.9033","0.0008","40.705","0.003","90","","90","","90","","3634.3","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B F2 N2 -","- C22 H19 B F2 N2 -","- C176 H152 B8 F16 N16 -","8","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.1168","0.0677","","","0.1209","0.1385","","","","","","1.057","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123144","13.9306","0.0016","21.573","0.002","41.331","0.006","90","","90","","90","","12421","3","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 Eu2 F12 N12 O13 P2 -","- C52 H78 Eu2 F12 N12 O13 P2 -","- C416 H624 Eu16 F96 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Garda, Zoltán; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Lanthanide(III) Complexes with a Reinforced Cyclam Ligand Show Unprecedented Kinetic Inertness.","Journal of the American Chemical Society","2014","","","141219122522002","","10.1021/ja511331n","","x-ray","0.71073","MoKα","","0.1143","0.0671","","","0.1271","0.1451","","","","","","1.018","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123167","8.2638","0.0005","22.1867","0.0013","28.8754","0.0017","90","","90","","90","","5294.2","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0288","0.0192","","","0.0394","0.043","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123169","8.261","0.0005","22.2572","0.0014","28.8301","0.0018","90","","90","","90","","5300.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Eu Si3 -","- C24 H39 Eu Si3 -","- C192 H312 Eu8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0292","0.0216","","","0.0522","0.0577","","","","","","1.086","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123171","8.2129","0.0005","22.2848","0.0014","28.7133","0.0018","90","","90","","90","","5255.2","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Dy Si3 -","- C24 H39 Dy Si3 -","- C192 H312 Dy8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0264","0.0202","","","0.0457","0.0484","","","","","","1.055","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123173","8.2012","0.0003","22.4085","0.0008","28.6584","0.001","90","","90","","90","","5266.7","0.3","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tm -","- C24 H39 Si3 Tm -","- C192 H312 Si24 Tm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0313","0.0205","","","0.0423","0.0457","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123175","8.1548","0.0008","22.333","0.002","28.58","0.003","90","","90","","90","","5205","0.9","138","2","138","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Yb -","- C24 H39 Si3 Yb -","- C192 H312 Si24 Yb8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0263","0.0211","","","0.0487","0.051","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123252","14.428","0.009","14.478","0.009","17.101","0.011","90","","90","","90","","3572","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0755","0.0554","","","0.1101","0.1189","","","","","","1.068","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123253","13.9808","0.0005","14.997","0.0005","17.3046","0.0006","90","","90","","90","","3628.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0974","0.0641","","","0.1501","0.1628","","","","","","1.178","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123303","9.0641","0.0007","8.8761","0.0005","42.95","0.003","90","","90","","90","","3455.5","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.1436","0.0765","","","0.1345","0.1619","","","","","","1.061","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123316","15.87898","0.00018","10.13462","0.00011","25.6111","0.0003","90","","90","","90","","4121.53","0.08","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.12","0.1214","","","","","","1.09","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123322","13.372","0.003","29.829","0.008","26.681","0.007","90","","90","","90","","10642","5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H60 Cr O3 -","- C67 H60 Cr O3 -","- C536 H480 Cr8 O24 -","8","1","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.1622","0.1343","","","0.3042","0.3221","","","","","","1.271","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123331","17.079","0.002","18.335","0.002","24.196","0.003","90","","90","","90","","7576.8","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Cl2 N P Si -","- C38 H58 Cl2 N P Si -","- C304 H464 Cl16 N8 P8 Si8 -","8","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.079","0.0408","","","0.0765","0.0904","","","","","","1.004","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123354","29.1112","0.0013","22.9424","0.001","32.0414","0.0012","90","","90","","90","","21399.8","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C120 H150 N6 O12 P4 -","- C120 H150 N6 O12 P4 -","- C960 H1200 N48 O96 P32 -","8","1","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.1404","0.0992","","","0.2579","0.2917","","","","","","1.06","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123412","15.5412","0.0005","16.1059","0.0005","24.1122","0.0008","90","","90","","90","","6035.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl Ir O P2 S2 -","- C29 H38 Cl Ir O P2 S2 -","- C232 H304 Cl8 Ir8 O8 P16 S16 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0925","0.0652","","","0.1422","0.1586","","","","","","1.1","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123519","12.8176","0.0006","15.0569","0.0007","22.1137","0.0011","90","","90","","90","","4267.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 I2 N2 P2 -","- C48 H50 I2 N2 P2 -","- C192 H200 I8 N8 P8 -","4","0.5","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.1206","0.0488","","","0.0871","0.1148","","","","","","1.011","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123538","14.856","0.0006","14.9335","0.0006","30.0265","0.0011","90","","90","","90","","6661.4","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(PPP)Ni(OCOOMe)","","","- C33 H47 Ni O3 P3 -","- C33 H47 Ni O3 P3 -","- C264 H376 Ni8 O24 P24 -","8","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0855","0.0404","","","0.0921","0.1213","","","","","","1.121","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123563","16.2284","0.0006","18.9794","0.0008","21.5049","0.0008","90","","90","","90","","6623.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H58 B F4 Ni -","- C34 H58 B F4 Ni -","- C272 H464 B8 F32 Ni8 -","8","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0886","0.0435","","","0.0839","0.1019","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123664","18.3311","0.0008","15.7359","0.0007","23.3815","0.001","90","","90","","90","","6744.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H39 Cl F6 N2 O2 W -","- C35 H39 Cl F6 N2 O2 W -","- C280 H312 Cl8 F48 N16 O16 W8 -","8","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0941","0.0403","","","0.0639","0.071","","","","","","1.033","","","","has coordinates","138246","2020-10-21","18:00:00",""
"4123686","16.0574","0.0005","19.2846","0.0005","25.5466","0.0007","90","","90","","90","","7910.8","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H46 O P2 Pd Si -","- C44 H46 O P2 Pd Si -","- C352 H368 O8 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.1202","0.0428","","","0.0683","0.0903","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123700","11.9851","0.0019","16.023","0.003","26.249","0.004","90","","90","","90","","5040.8","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Cu N6 O7 -","- C21 H40 Cu N6 O7 -","- C168 H320 Cu8 N48 O56 -","8","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.7107","MoKα","","0.0932","0.0701","","","0.1342","0.1421","","","","","","1.321","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123760","11.7242","0.0002","8.21002","0.0001","46.3771","0.0009","90","","90","","90","","4464.07","0.13","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O S3 -","- C27 H18 N2 O S3 -","- C216 H144 N16 O8 S24 -","8","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.0472","","","","0.1038","","","","","","1.083","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123876","9.5558","0.0008","16.3412","0.0013","20.4336","0.0016","90","","90","","90","","3190.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VLIII-051B1","sarpong105","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C144 H152 N8 O24 S8 -","8","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","0.71073","MoKα","","0.0446","0.0413","","","0.0957","0.0979","","","","","","1.2","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124156","13.5872","0.0004","13.6524","0.0004","44.1111","0.0012","90","","90","","90","","8182.5","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C224 H432 B160 N16 Si16 -","16","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1247","0.0787","","","0.1842","0.2068","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124297","10.29093","0.00013","18.577","0.0003","31.942","0.0004","90","","90","","90","","6106.5","0.15","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H48 B F4 O3 P Ru -","- C28 H48 B F4 O3 P Ru -","- C224 H384 B8 F32 O24 P8 Ru8 -","8","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.0443","0.0404","","","0.0943","0.0966","","","","","","1.093","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124407","18.8781","0.0009","12.1056","0.0005","21.2885","0.0009","90","","90","","90","","4865.1","0.4","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 B O6 -","- C27 H33 B O6 -","- C216 H264 B8 O48 -","8","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","0.71073","MoKα","","0.084","0.045","","","0.0943","0.111","","","","","","1.009","","","","has coordinates","154285","2020-10-21","18:00:00",""
"4124555","19.345","0.005","16.662","0.005","24.699","0.005","90","0.005","90","0.005","90","0.005","7961","4","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C232 H272 Cl16 Co32 F48 N32 O96 P8 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0844","0.0569","","","0.1474","0.1686","","","","","","1.028","","","","has coordinates","170079","2020-10-21","18:00:00",""
"4125112","10.5978","0.0004","10.4507","0.0004","27.0588","0.001","90","","90","","90","","2996.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C112 H168 N24 O8 S8 -","8","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0509","0.04","","","0.1021","0.1088","","","","","","1.001","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125127","13.0319","0.0016","12.8304","0.0015","23.089","0.003","90","","90","","90","","3860.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","1","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0414","0.0371","","","0.096","0.0989","","","","","","1.06","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125152","12.862","0.0012","12.2276","0.0009","13.0826","0.0011","90","","90","","90","","2057.5","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H11 B10 N -","- C3 H11 B10 N -","- C24 H88 B80 N8 -","8","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0897","0.0529","","","0.1329","0.1567","","","","","","1.024","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125154","12.5493","0.0003","13.4359","0.0003","24.2837","0.0007","90","","90","","90","","4094.5","0.18","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 Br O -","- C2 H11 B10 Br O -","- C32 H176 B160 Br16 O16 -","16","2","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0669","0.0376","","","0.0742","0.0815","","","","","","1.017","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125231","9.086","0.006","11.473","0.008","19.916","0.013","90","","90","","90","","2076","2","343","2","343","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1325","0.0589","","","0.145","0.1804","","","","","","0.822","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125234","9.083","0.007","11.433","0.009","19.797","0.018","90","","90","","90","","2056","3","338","2","338","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1198","0.0701","","","0.1754","0.2032","","","","","","1.13","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125270","22.8897","0.0002","15.1701","0.0001","24.7223","0.0002","90","","90","","90","","8584.55","0.12","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl2 F N7 O3 -","- C44 H50 Cl2 F N7 O3 -","- C352 H400 Cl16 F8 N56 O24 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0598","0.0518","","0.1536","0.1457","0.1528","","","","","","0.9797","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125381","20.116","0.006","16.403","0.003","23.728","0.006","90","","90","","90","","7829","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H38 B Cl2 F10 O2 P -","- C39 H38 B Cl2 F10 O2 P -","- C312 H304 B8 Cl16 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1362","0.0606","","","0.1333","0.1641","","","","","","1.007","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125389","17.9172","0.0011","17.5654","0.001","25.9568","0.0015","90","","90","","90","","8169.2","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cl2NNF6]Cu(tBuBnSSBntBu)","","- C39 H37 Cl4 Cu F6 N2 S2 -","- C39 H37 Cl4 Cu F6 N2 S2 -","- C312 H296 Cl32 Cu8 F48 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0474","0.033","","","0.0689","0.0726","","","","","","1.032","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125475","7.5565","0.0003","16.3552","0.0004","17.6239","0.0006","90","","90","","90","","2178.1","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.049","0.0381","","","0.0975","0.1042","","","","","","1.083","","","","has coordinates","193479","2020-10-21","18:00:00",""
"4125492","7.3996","0.0004","7.6266","0.0005","37.156","0.002","90","","90","","90","","2096.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 N2 O3 S -","- C9 H11 N2 O3 S -","- C72 H88 N16 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1017","0.0868","","","0.2163","0.2295","","","","","","1.13","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125493","7.3346","0.0002","7.5087","0.0002","36.7164","0.0014","90","","90","","90","","2022.09","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 N O3 S -","- C9 H10 N O3 S -","- C72 H80 N8 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0558","0.0471","","","0.1353","0.1405","","","","","","1.104","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125571","9.1761","0.0003","10.9659","0.0003","23.4534","0.0008","90","","90","","90","","2359.98","0.13","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H20 N2 Se -","- C11 H20 N2 Se -","- C88 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0555","0.0399","","","0.0589","0.062","","","","","","1.139","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125573","11.4233","0.00009","10.80265","0.00008","18.95402","0.00015","90","","90","","90","","2338.96","0.03","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Se -","- C10 H20 N2 Se -","- C80 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0395","0.0377","","","0.1017","0.104","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125585","11.8978","0.0007","19.8913","0.0011","41.593","0.003","90","","90","","90","","9843.5","1.1","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H76 Si4 -","- C53 H76 Si4 -","- C424 H608 Si32 -","8","1","","Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko","Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00344","","","0.71075","MoKα","","0.082","0.0796","","","0.1832","0.1852","","","","","","1.212","","","","has coordinates,has disorder","192631","2020-10-21","18:00:00",""
"4125623","7.69025","0.00007","13.54657","0.00017","20.9417","0.0002","90","","90","","90","","2181.63","0.04","120","","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54184","CuKα","","0.0515","0.0499","","","0.137","0.139","","","","","","1.054","","","","has coordinates","193026","2020-10-21","18:00:00",""
"4125629","18.1138","0.0005","12.4841","0.0003","21.1588","0.0006","90","","90","","90","","4784.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 B F4 Fe N5 O3 -","- C20 H24 B F4 Fe N5 O3 -","- C160 H192 B8 F32 Fe8 N40 O24 -","8","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0345","0.0265","","","0.0807","0.0991","","","","","","1.148","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125643","15.009","0.006","13.965","0.007","19.47","0.009","90","","90","","90","","4081","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.2268","0.1463","","","0.3305","0.4035","","","","","","1.243","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4125650","13.92565","0.00012","6.76441","0.00005","16.55751","0.00012","90","","90","","90","","1559.7","0.02","85","2","85","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0404","0.0399","","","0.0975","0.0979","","","","","","1.122","","","","has coordinates","193047","2020-10-21","18:00:00",""
"4125667","24.202","0.002","31.566","0.003","42.811","0.004","90","","90","","90","","32706","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","CB7 diadamandate bis(anime dimethyl butylhydroxide iodide)","","- C68 H124 I2 N30 O33 -","- C68 H90 I0.5 N30 O18.836 -","- C1088 H1440 I8 N480 O301.376 -","16","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1175","0.0936","","","0.1789","0.1932","","","","","","0.928","","","","has coordinates","193064","2020-10-21","18:00:00",""
"4125768","7.4156","0.0006","18.973","0.002","20.2647","0.0013","90","","90","","90","","2851.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C112 H160 N16 O24 S8 -","8","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.048","0.0404","","","0.1009","0.1056","","","","","","1.067","","","","has coordinates","193143","2020-10-21","18:00:00",""
"4125785","17.577","0.002","8.656","0.0012","32.749","0.004","90","","90","","90","","4982.6","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","7","P b c a","-P 2ac 2ab","61","","1N-(1-prop-2-ynyl-cyclohexyl)-4-methyl-benzenesulfonamide","","- C26 H36 Cl N O2 Ru S -","- C26 H36 Cl N O2 Ru S -","- C208 H288 Cl8 N8 O16 Ru8 S8 -","8","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0294","0.0259","","","0.0551","0.0563","","","","","","1.197","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125792","19.7839","0.0005","19.5288","0.0004","25.0902","0.0005","90","","90","","90","","9693.7","0.4","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H66 Ce F6 Li N5 O5 -","- C49 H66 Ce F6 Li N5 O5 -","- C392 H528 Ce8 F48 Li8 N40 O40 -","8","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0805","0.0515","","","0.1174","0.1314","","","","","","1.046","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125843","10.1175","0.0002","11.0673","0.0003","16.8859","0.0004","90","","90","","90","","1890.77","0.08","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","1.54184","CuKα","","0.045","0.0389","","","0.098","0.103","","","","","","1.071","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125878","17.8809","0.0002","15.7708","0.0002","28.0382","0.0004","90","","90","","90","","7906.66","0.17","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H54 Br8 P2 Pd2 -","- C24 H54 Br8 P2 Pd2 -","- C192 H432 Br64 P16 Pd16 -","8","1","","Johansson Seechurn, Carin C. C.; Sperger, Theresa; Scrase, Thomas G.; Schoenebeck, Franziska; Colacot, Thomas J.","Understanding the Unusual Reduction Mechanism of Pd(II) to Pd(I): Uncovery of Hidden Species and Implications in Catalytic Cross-Coupling Reactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01110","","","0.71073","MoKα","","0.0692","0.0451","","","0.0989","0.1094","","","","","","1.087","","","","has coordinates","194663","2020-10-21","18:00:00",""
"4125990","18.6592","0.0003","16.8001","0.0002","26.978","0.0004","90","","90","","90","","8457","0.2","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H48 B F10 N O2 Zr -","- C47 H48 B F10 N O2 Zr -","- C376 H384 B8 F80 N8 O16 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0461","0.0365","","","0.082","0.0871","","","","","","1.05","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125995","16.5662","0.0002","19.9277","0.0002","25.6405","0.0003","90","","90","","90","","8464.6","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H43 B F10 O3 Zr -","- C42 H43 B F10 O3 Zr -","- C336 H344 B8 F80 O24 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.053","0.0406","","","0.0899","0.0958","","","","","","1.028","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4126033","19.5368","0.0007","14.2533","0.0005","23.4566","0.0009","90","","90","","90","","6531.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ma_03_101","ma_03_101","","- C34 H43 Cl2 Cu N2 S -","- C34 H43 Cl2 Cu N2 S -","- C272 H344 Cl16 Cu8 N16 S8 -","8","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0474","0.0363","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates","197430","2020-10-21","18:00:00",""
"4126084","12.0059","0.0013","12.0835","0.0013","19.337","0.002","90","","90","","90","","2805.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0453","0.0386","","","0.0999","0.106","","","","","","1.031","","","","has coordinates","197165","2020-10-21","18:00:00",""
"4126088","14.939","0.002","10.5023","0.0014","29.448","0.004","90","","90","","90","","4620.2","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 Br Cu N -","- C24 H37 Br Cu N -","- C192 H296 Br8 Cu8 N8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0725","0.0409","","","0.0754","0.0846","","","","","","1.017","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126089","7.7624","0.0005","17.4793","0.001","29.6843","0.0016","90","","90","","90","","4027.6","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N Se -","- C22 H33 N Se -","- C176 H264 N8 Se8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0936","0.0503","","","0.096","0.1113","","","","","","1.021","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126321","12.281","0.0006","20.641","0.001","21.993","0.001","90","","90","","90","","5575.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Keinan-70","","","- C44 H62 Cl2 N32 O16 -","- C44 H62 Cl2 N32 O16 -","- C176 H248 Cl8 N128 O64 -","4","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0435","0.0389","","","0.1081","0.1112","","","","","","1.059","","","","has coordinates","199522","2020-10-21","18:00:00",""
"4126334","19.016","0.0013","13.826","0.001","20.5909","0.001","90","","90","","90","","5413.7","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 B20 O -","- C18 H34 B20 O -","- C144 H272 B160 O8 -","8","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.1066","0.0616","","","0.1683","0.191","","","","","","1.052","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126350","8.296","0.0001","16.6872","0.0001","33.1607","0.0003","90","","90","","90","","4590.67","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C232 H184 N24 O32 -","8","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0625","0.0548","","","0.1415","0.1469","","","","","","1.075","","","","has coordinates,has disorder","200228","2020-10-21","18:00:00",""
"4126463","7.5218","0.0005","12.0554","0.0006","18.3287","0.001","90","","90","","90","","1662.02","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.05","0.0415","","","0.1107","0.1173","","","","","","1.071","","","","has coordinates","201261","2020-10-21","18:00:00",""
"4126481","16.3878","0.0004","16.6254","0.0004","22.655","0.0006","90","","90","","90","","6172.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H37 Cl2 N3 Ru -","- C33 H37 Cl2 N3 Ru -","- C264 H296 Cl16 N24 Ru8 -","8","1","","Walsh, Dylan J.; Lau, Sii Hong; Hyatt, Michael G.; Guironnet, Damien","Kinetic Study of Living Ring-Opening Metathesis Polymerization with Third-Generation Grubbs Catalysts","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08010","","","0.71073","MoKα","","0.0393","0.0313","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates,has disorder","201279","2020-10-21","18:00:00",""
"4126580","16.144","0.003","15.029","0.003","17.02","0.003","90","","90","","90","","4129.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C224 H144 N16 O16 -","8","1","","Huang, Chung-Yang; Bonasera, Aurelio; Hristov, Lachezar; Garmshausen, Yves; Schmidt, Bernd M.; Jacquemin, Denis; Hecht, Stefan","N,N′-Disubstituted Indigos as Readily Available Red-Light Photoswitches with Tunable Thermal Half-Lives","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08726","","","0.71073","MoKα","","0.0394","0.0366","","","0.0928","0.0952","","","","","","1.024","","","","has coordinates","201924","2020-10-21","18:00:00",""
"4126594","9.3504","0.0013","11.1993","0.0017","25.696","0.004","90","","90","","90","","2690.8","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cp142","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0516","0.0397","","","0.0969","0.1065","","","","","","1.106","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126595","10.6721","0.0003","12.1232","0.0003","25.2806","0.0007","90","","90","","90","","3270.8","0.15","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","CP198-C2","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0499","0.0389","","","0.0878","0.0939","","","","","","1.057","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126619","22.246","0.004","20.4","0.004","23.835","0.005","90","","90","","90","","10817","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H72 F3 N7 O3 S -","- C55 H72 F3 N7 O3 S -","- C440 H576 F24 N56 O24 S8 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.66002","synchrotron","","0.1128","0.0907","","","0.2728","0.2886","","","","","","1.067","","","","has coordinates","202221","2020-10-21","18:00:00",""
"4126634","19.425","0.004","18.198","0.004","8.8148","0.0018","90","","90","","90","","3116","1.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.999 N O2 -","- C96 H128 Cl23.992 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0808","0.0721","","","0.1763","0.1836","","","","","","1.081","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126635","19.3641","0.0006","18.099","0.0006","8.7904","0.0002","90","","90","","90","","3080.78","0.16","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl3.001 N O2 -","- C96 H128 Cl24.008 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0781","0.0621","","","0.1389","0.1521","","","","","","1.061","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126636","19.243","0.0007","17.9355","0.0007","8.7459","0.0003","90","","90","","90","","3018.5","0.19","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.99 N O2 -","- C96 H128 Cl23.92 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.074","0.0618","","","0.1297","0.1377","","","","","","1.045","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126807","15.3152","0.0007","21.6095","0.0011","23.3982","0.0011","90","","90","","90","","7743.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H60 Cl3 N Si4 -","- C34 H60 Cl3 N Si4 -","- C272 H480 Cl24 N8 Si32 -","8","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0912","0.0561","","","0.0964","0.1055","","","","","","1.074","","","","has coordinates","204023","2020-10-21","18:00:00",""
"4126960","7.8289","0.0005","24.8954","0.0018","31.81","0.002","90","","90","","90","","6199.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RAD_OChevron","SVK3_171","","- C42 H24 Br2 O -","- C42 H24 Br2 O -","- C336 H192 Br16 O8 -","8","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.1384","0.0655","","","0.1404","0.1738","","","","","","1.007","","","","has coordinates","204700","2020-10-21","18:00:00",""
"4126987","16.427","0.006","22.131","0.007","27.116","0.008","90","","90","","90","","9858","6","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 N2 O3 W -","- C53 H72 B2 N2 O3 W -","- C424 H576 B16 N16 O24 W8 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0365","0.0226","","","0.0439","0.0485","","","","","","1.034","","","","has coordinates,has disorder","204937","2020-10-21","18:00:00",""
"4126989","16.431","0.009","22.145","0.012","27.09","0.015","90","","90","","90","","9857","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 Mo N2 O3 -","- C53 H72 B2 Mo N2 O3 -","- C424 H576 B16 Mo8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.064","0.0361","","","0.0698","0.0796","","","","","","1.019","","","","has coordinates,has disorder","204939","2020-10-21","18:00:00",""
"4126990","16.205","0.006","22.446","0.005","27.356","0.012","90","","90","","90","","9950","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H74 B2 Cr N2 O3 -","- C54 H74 B2 Cr N2 O3 -","- C432 H592 B16 Cr8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0464","0.0365","","","0.0926","0.0989","","","","","","1.055","","","","has coordinates","204940","2020-10-21","18:00:00",""
"4126994","16.7598","0.0003","16.5657","0.0003","12.5706","0.0002","90","","90","","90","","3490.07","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C136 H184 N8 O40 -","8","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.04","0.0373","","","0.0936","0.0956","","","","","","1.083","","","","has coordinates","204944","2020-10-21","18:00:00",""
"4127018","18.37789","0.00016","25.1011","0.0002","28.6642","0.0003","90","","90","","90","","13222.9","0.2","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C252 H488 Ag56 B240 Cl24 N32 S48 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0474","0.0453","","","0.1149","0.1163","","","","","","1.112","","","","has coordinates","205091","2020-10-21","18:00:00",""
"4127071","14.3206","0.0003","15.7507","0.0003","38.5776","0.0006","90","","90","","90","","8701.5","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C252 H496 B24 Br16 N8 O8 P16 Si16 Zn8 -","4","0.5","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.1089","0.0571","","","0.1418","0.1672","","","","","","1.041","","","","has coordinates,has disorder","205505","2020-10-21","18:00:00",""
"4127201","16.3481","0.0003","22.1973","0.0004","35.036","0.0007","90","","90","","90","","12714","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.54 H32.42 F6 N4 Ni -","- C33.542 H32.416 F6 N4 Ni -","- C536.672 H518.656 F96 N64 Ni16 -","16","2","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.061","0.0444","","","0.1098","0.1183","","","","","","1.009","","","","has coordinates,has disorder","206849","2020-10-21","18:00:00",""
"4127214","10.8771","0.0003","15.7831","0.0004","32.4325","0.0008","90","","90","","90","","5567.8","0.2","103","2","103.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0658","0.041","","","0.0825","0.0918","","","","","","1.096","","","","has coordinates,has disorder","207011","2020-10-21","18:00:00",""
"4127215","10.887","0.002","15.832","0.003","32.699","0.007","90","","90","","90","","5636.1","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0925","0.0678","","","0.107","0.116","","","","","","1.221","","","","has coordinates,has disorder","207012","2020-10-21","18:00:00",""
"4127227","18.4913","0.0002","20.3554","0.0003","24.9867","0.0003","90","","90","","90","","9404.9","0.2","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Co N3 O -","- C52 H73 Co N3 O -","- C416 H584 Co8 N24 O8 -","8","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0792","0.0683","","","0.1888","0.1984","","","","","","1.054","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127336","22.8735","0.0003","13.41873","0.00018","24.0089","0.0003","90","","90","","90","","7369.13","0.17","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H43 Cl3 N8 O2 -","- C37 H43 Cl3 N8 O2 -","- C296 H344 Cl24 N64 O16 -","8","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","x-ray","1.54184","CuKα","","0.0769","0.0674","","","0.1872","0.1975","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127410","6.626","0.0004","19.1358","0.001","24.4346","0.001","90","","90","","90","","3098.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Cl2 Sn2 -","- C10 H18 Cl2 Sn2 -","- C80 H144 Cl16 Sn16 -","8","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0933","0.0504","","","0.1187","0.1665","","","","","","1.005","","","","has coordinates","220687","2020-10-21","18:00:00",""
"4127450","18.9227","0.0005","15.8869","0.0005","23.304","0.0006","90","","90","","90","","7005.7","0.3","99.99","","99.99","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C41 H51 N3 -","- C41 H51 N3 -","- C328 H408 N24 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.0379","0.035","","","0.088","0.0903","","","","","","1.026","","","","has coordinates,has disorder","220723","2020-10-21","18:00:00",""
"4127566","15.56","0.005","14.528","0.005","16.734","0.006","90","","90","","90","","3783","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C160 H192 Cl8 Ir8 N16 O8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0585","0.0382","","","0.0757","0.0814","","","","","","0.982","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127567","15.47","0.002","14.542","0.002","16.668","0.003","90","","90","","90","","3749.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C160 H192 Cl8 N16 O8 Rh8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0564","0.0374","","","0.0734","0.0778","","","","","","0.919","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127616","11.1215","0.0002","14.9694","0.0002","28.8591","0.0004","90","","90","","90","","4804.53","0.13","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C224 H160 O32 S16 -","16","2","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.033","0.0293","","","0.0795","0.082","","","","","","1.011","","","","has coordinates","220822","2020-10-21","18:00:00",""
"4127698","14.0153","0.0003","11.1661","0.0003","19.0586","0.0005","90","","90","","90","","2982.6","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B2 N2 O4 -","- C30 H46 B2 N2 O4 -","- C120 H184 B8 N8 O16 -","4","0.5","","Oeschger, Raphael J.; Larsen, Matthew A.; Bismuto, Alessandro; Hartwig, John F.","Origin of the Difference in Reactivity between Ir Catalysts for the Borylation of C-H Bonds.","Journal of the American Chemical Society","2019","141","41","16479","16485","10.1021/jacs.9b08920","","","1.54184","CuKα","","0.0645","0.056","","","0.1595","0.1665","","","","","","1.056","","","","has coordinates","220891","2020-10-21","18:00:00",""
"4127702","24.2958","0.0005","17.0876","0.0002","24.361","0.0003","90","","90","","90","","10113.6","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,14-diformylbenzo[a]dinaphtho[2,1,8-cde:1',2',3',4'-ghi]perylene","","- C40 H21 N O2 -","- C40 H21 N O2 -","- C640 H336 N16 O32 -","16","2","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.1134","0.0878","","","0.1855","0.1999","","","","","","1.153","","","","has coordinates","220896","2020-10-21","18:00:00",""
"4127752","9.0291","0.0009","8.9825","0.0009","52.666","0.006","90","","90","","90","","4271.4","0.8","340","2","340.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.2133","0.1064","","","0.2053","0.2453","","","","","","1.084","","","","has coordinates","220923","2020-10-21","18:00:00",""
"4127779","21.454","0.003","16.346","0.002","22.919","0.003","90","","90","","90","","8037.4","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DACstartCuCz(CN)2","","","- C44 H46 Cu N5 O2 -","- C44 H46 Cu N5 O2 -","- C352 H368 Cu8 N40 O16 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0639","0.0397","","","0.0883","0.0975","","","","","","1.04","","","","has coordinates","220950","2020-10-21","18:00:00",""
"4127780","21.45","0.004","16.176","0.003","23.183","0.005","90","","90","","90","","8044","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MAACCuCzCN2","","","- C44 H49 Cu N5 O -","- C44 H48 Cu N5 O -","- C352 H384 Cu8 N40 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0501","0.0342","","","0.0815","0.0898","","","","","","1.013","","","","has coordinates","220951","2020-10-21","18:00:00",""
"4127801","15.14","0.0003","8.47783","0.00014","22.8203","0.0004","90","","90","","90","","2929.08","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0611","0.0488","","","0.1227","0.1347","","","","","","1.029","","","","has coordinates","220973","2020-10-21","18:00:00",""
"4127814","10.1368","0.0004","16.7143","0.0007","39.9206","0.0018","90","","90","","90","","6763.7","0.5","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B Cl N2 O4 -","- C33 H46 B Cl N2 O4 -","- C264 H368 B8 Cl8 N16 O32 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0772","0.0534","","","0.1462","0.1596","","","","","","1.29","","","","has coordinates","220986","2020-10-21","18:00:00",""
"4127815","14.5624","0.0006","18.4649","0.0007","38.235","0.0015","90","","90","","90","","10281.1","0.7","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 B N2 O4 -","- C26 H31 B N2 O4 -","- C416 H496 B16 N32 O64 -","16","2","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0697","0.0496","","","0.1441","0.1561","","","","","","1.443","","","","has coordinates","220987","2020-10-21","18:00:00",""
"4127866","8.6383","0.0007","13.5782","0.0012","26.556","0.002","90","","90","","90","","3114.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 B N2 O -","- C19 H17 B N2 O -","- C152 H136 B8 N16 O8 -","8","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0448","0.0365","","","0.0929","0.0987","","","","","","1.034","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127954","9.881","0.006","7.799","0.005","36.55","0.02","90","","90","","90","","2817","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C112 H72 Cl32 F8 -","8","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1444","0.1242","","","0.4113","0.422","","","","","","1.783","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127966","14.3745","0.0004","6.0487","0.0002","24.5776","0.0006","90","","90","","90","","2136.95","0.11","98","2","98","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Neff, Robynne K.; Su, Yong-Liang; Liu, Siqi; Rosado, Melina; Zhang, Xinhao; Doyle, Michael P.","Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes.","Journal of the American Chemical Society","2019","141","42","16643","16650","10.1021/jacs.9b05921","","x-ray","0.71073","MoKα","","0.0409","0.0392","","","0.0978","0.0991","","","","","","1.054","","","","has coordinates","221116","2020-10-21","18:00:00",""
"4128014","6.7928","0.0005","12.0154","0.0008","25.9101","0.0019","90","","90","","90","","2114.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C88 H96 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1135","0.0663","","","0.1164","0.131","","","","","","1.161","","","","has coordinates","221153","2020-10-21","18:00:00",""
"4128048","14.8961","0.0004","12.6957","0.0005","18.6653","0.0008","90","","90","","90","","3529.9","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C216 H128 N16 -","8","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0568","0.0431","","","0.0978","0.1029","","","","","","1.118","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128078","10.5812","0.0019","13.097","0.002","15.615","0.002","90","","90","","90","","2164","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O S -","- C14 H10 O S -","- C112 H80 O8 S8 -","8","1","","Smith, Ronald A.; Fu, Guanyao; McAteer, Owen; Xu, Mizhi; Gutekunst, Will R.","Radical Approach to Thioester-Containing Polymers.","Journal of the American Chemical Society","2019","141","4","1446","1451","10.1021/jacs.8b12154","","","0.71073","MoKα","","0.0603","0.0439","","","0.117","0.1296","","","","","","1.05","","","","has coordinates","221209","2020-10-21","18:00:00",""
"4128113","10.7639","0.0007","21.7165","0.0014","31.819","0.002","90","","90","","90","","7437.8","0.8","100","2","100.11","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Ca Co N6 O17 -","- C29 H46 Ca Co N6 O17 -","- C232 H368 Ca8 Co8 N48 O136 -","8","1","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1447","0.135","","","0.284","0.288","","","","","","1.204","","","","has coordinates,has disorder","221243","2020-10-21","18:00:00",""
"4128135","16.4422","0.0002","20.0536","0.0003","27.5154","0.0004","90","","90","","90","","9072.5","0.2","180","0.3","180","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C304 H608 Al8 Li8 O40 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0826","0.0738","","","0.1997","0.2094","","","","","","1.04","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128177","19.1024","0.0002","7.84458","0.00012","32.2257","0.0005","90","","90","","90","","4829.03","0.12","109.95","0.1","109.95","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Mn N O3 -","- C28 H18 Mn N O3 -","- C224 H144 Mn8 N8 O24 -","8","1","","Hammarback, L. Anders; Robinson, Alan; Lynam, Jason M.; Fairlamb, Ian J. S.","Mechanistic Insight into Catalytic Redox-Neutral C-H Bond Activation Involving Manganese(I) Carbonyls: Catalyst Activation, Turnover, and Deactivation Pathways Reveal an Intricate Network of Steps.","Journal of the American Chemical Society","2019","141","6","2316","2328","10.1021/jacs.8b09095","","x-ray","1.54184","CuKα","","0.0637","0.0457","","","0.1022","0.1095","","","","","","1.038","","","","has coordinates","221315","2020-10-21","18:00:00",""
"4128247","18.2527","0.0004","21.281","0.0004","24.4192","0.0005","90","","90","","90","","9485.3","0.3","100","2","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H50 F6 Fe N8 O6 S2 -","- C45 H50 F6 Fe N8 O6 S2 -","- C360 H400 F48 Fe8 N64 O48 S16 -","8","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0716","0.0568","","","0.1381","0.1497","","","","","","1.031","","","","has coordinates,has disorder","221372","2020-10-21","18:00:00",""
"4128275","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates","221397","2020-10-21","18:00:00",""
"4128299","16.3899","0.0014","8.4422","0.0008","21.6823","0.0019","90","","90","","90","","3000.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O3 -","- C16 H8 F6 N2 O3 -","- C128 H64 F48 N16 O24 -","8","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0469","0.0351","","","0.089","0.0961","","","","","","1.037","","","","has coordinates","221421","2020-10-21","18:00:00",""
"4128487","18.5935","0.0003","18.54","0.0003","24.548","0.0005","90","","90","","90","","8462.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H68 N5 Ni P Si2 -","- C37 H68 N5 Ni P Si2 -","- C296 H544 N40 Ni8 P8 Si16 -","8","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0559","0.0381","","","0.0945","0.1053","","","","","","1.015","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128496","12.463","0.007","15.073","0.008","32.221","0.017","90","","90","","90","","6053","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H53 N O8 P2 Ru -","- C23 H53 N O8 P2 Ru -","- C184 H424 N8 O64 P16 Ru8 -","8","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.1084","0.0621","","","0.1214","0.1368","","","","","","1.019","","","","has coordinates","221580","2020-10-21","18:00:00",""
"4128629","15.5286","0.0015","15.6454","0.0013","18.0654","0.0016","90","","90","","90","","4389","0.7","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0923","0.0516","","","0.1227","0.1626","","","","","","1.094","","","","has coordinates,has disorder","221710","2020-10-21","18:00:00",""
"4128630","15.5088","0.0009","15.5888","0.0007","18.0871","0.0009","90","","90","","90","","4372.8","0.4","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0708","0.0446","","","0.1232","0.1499","","","","","","1.133","","","","has coordinates,has disorder","221711","2020-10-21","18:00:00",""
"4128631","15.487","0.003","15.52","0.002","18.108","0.003","90","","90","","90","","4352.4","1.2","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0482","0.0307","","","0.08","0.0922","","","","","","1.061","","","","has coordinates,has disorder","221712","2020-10-21","18:00:00",""
"4128632","15.2978","0.0007","15.4168","0.0008","18.1951","0.0008","90","","90","","90","","4291.2","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0363","0.0261","","","0.0714","0.078","","","","","","1.079","","","","has coordinates,has disorder","221713","2020-10-21","18:00:00",""
"4128633","15.2069","0.0007","15.3558","0.0007","18.1389","0.0007","90","","90","","90","","4235.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0563","0.0391","","","0.0969","0.1112","","","","","","1.109","","","","has coordinates,has disorder","221714","2020-10-21","18:00:00",""
"4128634","15.342","0.004","15.808","0.003","18.03","0.003","90","","90","","90","","4372.7","1.6","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0747","0.0432","","","0.1136","0.138","","","","","","1.046","","","","has coordinates,has disorder","221715","2020-10-21","18:00:00",""
"4128635","15.5146","0.0011","15.7585","0.001","18.0597","0.0011","90","","90","","90","","4415.4","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.075","0.0466","","","0.1388","0.174","","","","","","1.098","","","","has coordinates,has disorder","221716","2020-10-21","18:00:00",""
"4128637","15.4766","0.0013","15.6759","0.0012","18.0353","0.0015","90","","90","","90","","4375.5","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0641","0.0436","","","0.119","0.1419","","","","","","1.093","","","","has coordinates,has disorder","221718","2020-10-21","18:00:00",""
"4128638","15.3978","0.0004","15.3546","0.0005","18.1591","0.0005","90","","90","","90","","4293.3","0.2","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.48 H5.98 N4 Zn -","- C6.48 H5.98 N4 Zn -","- C103.68 H95.68 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0523","0.0457","","","0.1197","0.125","","","","","","1.112","","","","has coordinates,has disorder","221719","2020-10-21","18:00:00",""
"4128641","15.4409","0.0006","15.0978","0.0008","18.2903","0.0009","90","","90","","90","","4263.9","0.4","100","0.4","100","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.62 H9.12 N4.5 O0.5 Zn -","- C7.62 H9.12 N4.5 O0.5 Zn -","- C121.92 H145.92 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0603","0.0393","","","0.0919","0.1091","","","","","","1.119","","","","has coordinates,has disorder","221722","2020-10-21","18:00:00",""
"4128642","15.1566","0.0012","15.6776","0.0007","18.2216","0.0015","90","","90","","90","","4329.8","0.5","100.1","0.5","100.1","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.9 H9.7 Co N4.5 O0.5 -","- C7.9 H9.7 Co N4.5 O0.5 -","- C126.4 H155.2 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.1087","0.0687","","","0.1647","0.1919","","","","","","1.112","","","","has coordinates,has disorder","221723","2020-10-21","18:00:00",""
"4128643","15.403","0.0006","15.504","0.0006","18.1233","0.0007","90","","90","","90","","4328","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0492","0.0323","","","0.0823","0.0945","","","","","","1.098","","","","has coordinates,has disorder","221724","2020-10-21","18:00:00",""
"4128644","15.0835","0.0007","15.2881","0.0007","18.2031","0.0008","90","","90","","90","","4197.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0357","0.0276","","","0.0654","0.0706","","","","","","1.043","","","","has coordinates,has disorder","221725","2020-10-21","18:00:00",""
"4128645","15.4686","0.0007","15.1468","0.0012","18.2938","0.001","90","","90","","90","","4286.2","0.5","99.9","0.3","99.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.78 H9.28 N4.5 O0.5 Zn -","- C7.78 H9.28 N4.5 O0.5 Zn -","- C124.48 H148.48 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0697","0.0434","","","0.1026","0.119","","","","","","1.049","","","","has coordinates,has disorder","221726","2020-10-21","18:00:00",""
"4128646","15.4872","0.0007","15.0774","0.0011","18.3105","0.0008","90","","90","","90","","4275.6","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.7 H9.2 N4.5 O0.5 Zn -","- C7.7 H9.2 N4.5 O0.5 Zn -","- C123.2 H147.2 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0591","0.0374","","","0.0888","0.1015","","","","","","1.053","","","","has coordinates,has disorder","221727","2020-10-21","18:00:00",""
"4128647","15.4061","0.0008","15.281","0.0011","18.2918","0.0014","90","","90","","90","","4306.3","0.5","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.58 H9.54 N4.5 O0.62 Zn -","- C7.58 H9.54 N4.5 O0.625 Zn -","- C121.28 H152.64 N72 O10 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0655","0.0419","","","0.0997","0.1149","","","","","","1.042","","","","has coordinates,has disorder","221728","2020-10-21","18:00:00",""
"4128648","15.4399","0.0004","15.4843","0.0006","18.1529","0.0006","90","","90","","90","","4339.9","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.68 H6.18 N4 Zn -","- C6.68 H6.18 N4 Zn -","- C106.88 H98.88 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0628","0.0516","","","0.1286","0.1346","","","","","","1.109","","","","has coordinates,has disorder","221729","2020-10-21","18:00:00",""
"4128649","15.282","0.002","15.664","0.002","18.179","0.002","90","","90","","90","","4351.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.73 H8.79 Co N4.35 O0.35 -","- C7.73 H8.79 Co N4.35 O0.35 -","- C123.68 H140.64 Co16 N69.6 O5.6 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0552","0.0494","","","0.1463","0.1541","","","","","","1.102","","","","has coordinates,has disorder","221730","2020-10-21","18:00:00",""
"4128650","15.386","0.0007","15.6096","0.0007","18.0571","0.0007","90","","90","","90","","4336.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0602","0.0432","","","0.1155","0.1321","","","","","","1.159","","","","has coordinates,has disorder","221731","2020-10-21","18:00:00",""
"4128651","15.4724","0.0007","15.5973","0.0011","18.1477","0.0008","90","","90","","90","","4379.5","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.96 H6.46 N4 Zn -","- C6.96 H6.46 N4 Zn -","- C111.36 H103.36 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0671","0.0519","","","0.1301","0.1379","","","","","","1.07","","","","has coordinates,has disorder","221732","2020-10-21","18:00:00",""
"4128652","15.591","0.005","15.606","0.004","18.103","0.005","90","","90","","90","","4405","2","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.071","0.0372","","","0.0993","0.1238","","","","","","1.042","","","","has coordinates,has disorder","221733","2020-10-21","18:00:00",""
"4128663","16.7541","0.0018","20.7321","0.0017","26.318","0.003","90","","90","","90","","9141.5","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 B4 F22 -","- C48 H32 B4 F22 -","- C384 H256 B32 F176 -","8","1","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0938","0.0535","","","0.1479","0.1862","","","","","","1.065","","","","has coordinates,has disorder","221744","2020-10-21","18:00:00",""
"4128678","23.3229","0.0007","16.5703","0.0005","25.209","0.0007","90","","90","","90","","9742.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H48 B Br Cl3 Ir O P4 -","- C52 H48 B Br Cl3 Ir O P4 -","- C416 H384 B8 Br8 Cl24 Ir8 O8 P32 -","8","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.075","0.0522","","","0.1311","0.1492","","","","","","1.159","","","","has coordinates","221759","2020-10-21","18:00:00",""
"4128747","13.49627","","9.884103","","9.164619","","90","","90","","90","","1222.55","","563","","563","","","","810000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-hPT-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C48 H48 N32 Zn8 -","8","1","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.046","","","","","","","","0.0832","","","","","","","has coordinates","221817","2020-10-21","18:00:00",""
"4128748","14.56659","","14.44478","","15.45102","","90","","90","","90","","3251.07","","313","","313","","","","200000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-cp-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C96 H96 N64 Zn16 -","16","2","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.0627","","","","","","","","23.634","","","","","","","has coordinates","221818","2020-10-21","18:00:00",""
"4128790","17.014","0.003","16.181","0.003","18.608","0.004","90","","90","","90","","5122.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H88 Cr Li2 O10 Si4 -","- C40 H88 Cr Li2 O10 Si4 -","- C160 H352 Cr4 Li8 O40 Si16 -","4","0.5","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0458","0.0393","","","0.0965","0.1017","","","","","","1.031","","","","has coordinates","221854","2020-10-21","18:00:00",""
"4128904","13.826","0.0009","16.6549","0.0009","17.2897","0.0011","90","","90","","90","","3981.3","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B F4 Fe O2 P -","- C19 H22 B F4 Fe O2 P -","- C152 H176 B8 F32 Fe8 O16 P8 -","8","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.0511","0.0378","","","0.0966","0.1033","","","","","","1.066","","","","has coordinates","221940","2020-10-21","18:00:00",""
"4128914","12.7437","0.0004","31.7874","0.0007","32.5089","0.001","90","","90","","90","","13169","0.6","170.15","","170.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H62 O10 -","- C81 H62 O10 -","- C648 H496 O80 -","8","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","0.71073","MoKα","","0.1251","0.0957","","","0.2515","0.2745","","","","","","1.143","","","","has coordinates,has disorder","221950","2020-10-21","18:00:00",""
"4128926","11.481","0.002","22.243","0.004","29.998","0.006","90","","90","","90","","7661","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 HCO3-_dioxane_2 H2O","","","- C37 H43 N9 O10 -","- C37 H39 N9 O10 -","- C296 H312 N72 O80 -","8","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1396","0.0962","","","0.187","0.2088","","","","","","1.017","","","","has coordinates","221962","2020-10-21","18:00:00",""
"4129003","17.4002","0.0004","20.7307","0.0005","23.4789","0.0006","90","","90","","90","","8469.3","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 -","- C47 H64 Co N3 -","- C376 H512 Co8 N24 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0878","0.0633","","","0.1493","0.1613","","","","","","1.082","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129008","17.3101","0.0007","20.4836","0.0008","23.4544","0.0011","90","","90","","90","","8316.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H65 Co N O -","- C47 H65 Co N O -","- C376 H520 Co8 N8 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1028","0.0593","","","0.1408","0.16","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129009","17.4228","0.0007","20.6348","0.0009","23.3437","0.0011","90","","90","","90","","8392.4","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 O -","- C47 H64 Co N3 O -","- C376 H512 Co8 N24 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0978","0.0743","","","0.1637","0.1758","","","","","","1.062","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129010","18.4221","0.0006","17.1331","0.0004","36.3469","0.001","90","","90","","90","","11472.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H89 Co N2 O2 Si2 -","- C60 H89 Co N2 O2 Si2 -","- C480 H712 Co8 N16 O16 Si16 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","1.54178","CuKα","","0.0879","0.0472","","","0.0906","0.1047","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129028","16.4476","0.0003","24.3351","0.0004","40.0869","0.0005","90","","90","","90","","16044.9","0.4","107","2","107","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.5 H45 N4 Ni O P -","- C48.5 H45 N4 Ni O P -","- C776 H720 N64 Ni16 O16 P16 -","16","2","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0654","0.0457","","","0.1215","0.138","","","","","","1.093","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4129065","12.98637","0.00007","11.75812","0.00008","11.72942","0.00008","90","","90","","90","","1791.03","0.02","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Me-AZADO_dimer","","","- C10 H16 N O -","- C10 H16 N O -","- C80 H128 N8 O8 -","8","1","","Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael","Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09533","powder diffraction","x-ray","0.4146","synchrotron","","","","","","","","0.20328","","1.78","","","","","","","has coordinates","223256","2020-10-21","18:00:00",""
"4129198","11.4397","0.0004","8.1352","0.0003","37.4815","0.0015","90","","90","","90","","3488.2","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0555","0.0401","","","0.1002","0.1125","","","","","","1.037","","","","has coordinates","231160","2020-10-21","18:00:00",""
"4129219","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4724","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0636","0.0344","","","0.0812","0.0908","","","","","","0.632","","","","has coordinates","240001","2020-10-21","18:00:00",""
"4129284","15.2219","0.0008","7.3672","0.0003","20.4067","0.0009","90","","90","","90","","2288.46","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5b","","","- C11 H9 N3 O5 -","- C11 H9 N3 O5 -","- C88 H72 N24 O40 -","8","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0445","0.0384","","","0.0986","0.1042","","","","","","1.05","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129377","21.5306","0.0017","19.8037","0.0015","31.964","0.003","90","","90","","90","","13629","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H96 Co2 K N8 O6 P3 -","- C57 H96 Co2 K N8 O6 P3 -","- C456 H768 Co16 K8 N64 O48 P24 -","8","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.12","0.0582","","","0.1203","0.141","","","","","","0.928","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129437","11.1735","0.0005","24.0997","0.001","27.9588","0.0009","90","","90","","90","","7528.7","0.5","149","2","149","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C296 H232 Cl16 F48 N8 O32 P16 S16 -","8","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0941","0.0497","","","0.1111","0.1273","","","","","","1.032","","","","has coordinates","240152","2020-10-21","18:00:00",""
"4129514","9.0007","0.0004","13.9627","0.0007","27.112","0.0011","90","","90","","90","","3407.3","0.3","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Zhang, Jitan; Chen, Hui; Lin, Cong; Liu, Zhanxiang; Wang, Chen; Zhang, Yuhong","Cobalt-Catalyzed Cyclization of Aliphatic Amides and Terminal Alkynes with Silver-Cocatalyst.","Journal of the American Chemical Society","2015","137","40","12990","12996","10.1021/jacs.5b07424","","","0.71073","MoKα","","0.0449","0.0358","","","0.0816","0.0871","","","","","","1.046","","","","has coordinates","240222","2020-10-21","18:00:00",""
"4129522","33.3092","0.0011","38.3322","0.0013","38.9657","0.0013","90","","90","","90","","49752","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C240.5 H259 Cl2 Cu25 P12 -","- C240.5 H181 Cl2 Cu25 P12 -","- C1924 H1448 Cl16 Cu200 P96 -","8","1","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.2142","0.1268","","","0.2956","0.3429","","","","","","1.104","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129527","17.65","0.002","12.8527","0.0013","19.949","0.002","90","","90","","90","","4525.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H21 Co N4 O -","- C30 H21 Co N4 O -","- C240 H168 Co8 N32 O8 -","8","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1125","0.049","","","0.0776","0.0938","","","","","","1.069","","","","has coordinates","240234","2020-10-21","18:00:00",""
"4129617","28.391","0.004","12.7043","0.0017","37.273","0.005","90","","90","","90","","13444","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C53 H74 Cl4 F6 Ir4 N4 O11 S2 -","- C49 H64 Cl4 F6 Ir4 N4 O10 S2 -","- C392 H512 Cl32 F48 Ir32 N32 O80 S16 -","8","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0841","0.069","","","0.1351","0.1399","","","","","","1.181","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129722","11.91397","0.00013","25.1896","0.0003","26.0022","0.0003","90","","90","","90","","7803.47","0.15","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C280 H448 Br16 Cl16 N32 O16 Zn16 -","8","1","","Garden, Jennifer A.; Saini, Prabhjot K.; Williams, Charlotte K.","Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst.","Journal of the American Chemical Society","2015","137","48","15078","15081","10.1021/jacs.5b09913","","","0.71073","MoKα","","0.0515","0.0315","","","0.0685","0.0733","","","","","","1.04","","","","has coordinates","240390","2020-10-21","18:00:00",""
"4129736","11.832","0.0001","20.1684","0.0002","25.0196","0.0003","90","","90","","90","","5970.49","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Ni O2 P2 Si -","- C30 H42 Ni O2 P2 Si -","- C240 H336 Ni8 O16 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0305","0.0279","","","0.0768","0.079","","","","","","1.016","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129804","14.654","0.003","7.559","0.002","31.389","0.005","90","","90","","90","","3476.9","1.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0943","0.0458","","","0.0794","0.089","","","","","","1.003","","","","has coordinates","240457","2020-10-21","18:00:00",""
"4129864","10.0498","0.0004","12.6817","0.0005","30.279","0.0013","90","","90","","90","","3859","0.3","88","2","88","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C192 H256 O24 -","8","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0401","0.0372","","","0.0985","0.1013","","","","","","1.021","","","","has coordinates","240516","2020-10-21","18:00:00",""
"4129955","25.347","0.004","19.541","0.003","30.42","0.004","90","","90","","90","","15067","4","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H116 Fe3 K N6 O9 Si3 -","- C66 H116 Fe3 K N6 O9 Si3 -","- C528 H928 Fe24 K8 N48 O72 Si24 -","8","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.096","0.0563","","","0.1366","0.1608","","","","","","1.035","","","","has coordinates,has disorder","240572","2020-10-21","18:00:00",""
"4130014","11.72284","0.00019","14.8569","0.0002","28.5647","0.0005","90","","90","","90","","4974.97","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","McQuilken, Alison C.; Matsumura, Hirotoshi; Dürr, Maximilian; Confer, Alex M.; Sheckelton, John P.; Siegler, Maxime A.; McQueen, Tyrel M.; Ivanović-Burmazović, Ivana; Moënne-Loccoz, Pierre; Goldberg, David P.","Photoinitiated Reactivity of a Thiolate-Ligated, Spin-Crossover Nonheme {FeNO}(7) Complex with Dioxygen.","Journal of the American Chemical Society","2016","138","9","3107","3117","10.1021/jacs.5b12741","","","1.54178","CuKα","","0.0637","0.049","","","0.1372","0.1496","","","","","","1.028","","","","has coordinates,has disorder","240608","2020-10-21","18:00:00",""
"4130043","11.723","0.002","16.048","0.003","28.56","0.006","90","","90","","90","","5373","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H42 Mn N O2 P2 -","- C25 H42 Mn N O2 P2 -","- C200 H336 Mn8 N8 O16 P16 -","8","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0492","0.0365","","","0.0929","0.0994","","","","","","1.051","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130085","8.8093","0.0014","18.443","0.002","31.202","0.005","90","","90","","90","","5069.4","1.3","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C216 H224 N32 O32 -","8","1","","Dai, Jianxin; Wang, Minyan; Chai, Guobi; Fu, Chunling; Ma, Shengming","A Practical Solution to Stereodefined Tetrasubstituted Olefins.","Journal of the American Chemical Society","2016","138","8","2532","2535","10.1021/jacs.6b00051","","","0.71073","MoKα","","0.1528","0.0952","","","0.2182","0.2569","","","","","","1.04","","","","has coordinates","240663","2020-10-21","18:00:00",""
"4130121","19.549","0.002","8.1172","0.0008","19.927","0.002","90","","90","","90","","3162.1","0.5","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","34","1,5-dioxa[5](3,3"")p-terphenylophane","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0725","0.0602","","","0.107","0.112","","","","","","1.212","","","","has coordinates","240685","2020-10-21","18:00:00",""
"4130129","14.1029","0.0002","10.42061","0.00015","16.6896","0.0002","90","","90","","90","","2452.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","1","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0431","0.0354","","","0.0952","0.1009","","","","","","1.042","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130188","15.4073","0.0009","13.5221","0.0016","20.4502","0.0016","90","","90","","90","","4260.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C208 H192 N32 -","16","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.041","0.0376","","","0.0923","0.095","","","","","","1.044","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130202","11.8131","0.001","12.9608","0.0011","26.409","0.002","90","","90","","90","","4043.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Ir S2 -","- C12 H25 B10 Ir S2 -","- C96 H200 B80 Ir8 S16 -","8","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0431","0.0252","","","0.0592","0.0637","","","","","","1.006","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130333","19.9415","0.0005","18.3839","0.0005","22.7755","0.0006","90","","90","","90","","8349.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 F4 N4 Ni -","- C48 H50 F4 N4 Ni -","- C384 H400 F32 N32 Ni8 -","8","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.073","0.0454","","","0.1092","0.1246","","","","","","1.028","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130391","12.3528","0.0001","25.5555","0.0002","38.3682","0.0003","90","","90","","90","","12112.2","0.17","123","0.1","123","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H28 F8 I2 N2 O6 S -","- C21.008 H28.012 F8 I2 N2 O6.003 S -","- C336.128 H448.192 F128 I32 N32 O96.048 S16 -","16","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0505","0.0393","","","0.083","0.0876","","","","","","1.056","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130400","24.8814","0.0006","20.0338","0.0005","29.5126","0.0007","90","","90","","90","","14711.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C564 H540 Cl32 N76 O56 Ru16 -","16","2","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0506","0.0477","","","0.1329","0.1361","","","","","","1.093","","","","has coordinates,has disorder","240841","2020-10-21","18:00:00",""
"4130557","9.4441","0.0017","9.3924","0.0018","44.328","0.008","90","","90","","90","","3932","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C184 H168 Cl8 N16 O8 -","8","1","","Gerry, Christopher J.; Hua, Bruce K.; Wawer, Mathias J.; Knowles, Jonathan P.; Nelson, Jr, Shawn D; Verho, Oscar; Dandapani, Sivaraman; Wagner, Bridget K.; Clemons, Paul A.; Booker-Milburn, Kevin I; Boskovic, Zarko V.; Schreiber, Stuart L.","Real-Time Biological Annotation of Synthetic Compounds.","Journal of the American Chemical Society","2016","138","28","8920","8927","10.1021/jacs.6b04614","","","0.71073","MoKα","","0.0803","0.057","","","0.1104","0.1183","","","","","","1.129","","","","has coordinates,has disorder","240966","2020-10-21","18:00:00",""
"4130604","6.9622","0.0004","17.2426","0.0011","27.5809","0.0015","90","","90","","90","","3311","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0534","0.0415","","","0.1081","0.1181","","","","","","1.056","","","","has coordinates","241005","2020-10-21","18:00:00",""
"4130693","7.5991","0.0003","18.8542","0.0009","20.2166","0.0011","90","","90","","90","","2896.5","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C112 H136 Cl8 N16 O24 -","8","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0824","0.0663","","","0.185","0.207","","","","","","1.074","","","","has coordinates","241081","2020-10-21","18:00:00",""
"4130738","14.8092","0.0003","18.0751","0.0003","25.1097","0.0004","90","","90","","90","","6721.3","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-(2-(di-p-tolylmethoxy)prop-1-en-1-yl)triphenylphosphonium trifluoromethanesulfonate","","- C37 H34 F3 O4 P S -","- C37 H34 F3 O4 P S -","- C296 H272 F24 O32 P8 S8 -","8","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.06","0.0396","","","0.0901","0.1017","","","","","","1.022","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130803","8.2625","0.0005","13.7282","0.0008","32.2865","0.0019","90","","90","","90","","3662.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Au I P -","- C17 H23 Au I P -","- C136 H184 Au8 I8 P8 -","8","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","x-ray","0.71073","MoKα","","0.0519","0.0477","","","0.2184","0.2209","","","","","","1.901","","","","has coordinates","241168","2020-10-21","18:00:00",""
"4130825","16.8624","0.0011","18.8653","0.0013","22.9188","0.0016","90","","90","","90","","7290.8","0.9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0535","0.0436","","","0.1174","0.1261","","","","","","1.02","","","","has coordinates","241185","2020-10-21","18:00:00",""
"4130880","7.45956","0.00014","16.6803","0.0002","16.8248","0.0004","90","","90","","90","","2093.47","0.07","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au F3 N -","- C12 H9 Au F3 N -","- C96 H72 Au8 F24 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0463","0.0299","","","0.0595","0.0676","","","","","","1.09","","","","has coordinates","241238","2020-10-21","18:00:00",""
"4130885","7.8063","0.0001","17.0746","0.0003","17.892","0.0003","90","","90","","90","","2384.81","0.07","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au Cl2 F N -","- C12 H9 Au Cl2 F N -","- C96 H72 Au8 Cl16 F8 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0375","0.0257","","","0.0535","0.0582","","","","","","1.075","","","","has coordinates","241243","2020-10-21","18:00:00",""
"4130994","9.2982","0.0005","17.6122","0.0011","25.4699","0.0015","90","","90","","90","","4171","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0911","0.0487","","","0.1015","0.1203","","","","","","1.027","","","","has coordinates,has disorder","241315","2020-10-21","18:00:00",""
"4131012","19.6169","0.0018","27.203","0.003","37.155","0.004","90","","90","","90","","19827","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C108 H102 Ag4 N2 P4 -","- C108 H102 Ag4 N2 P4 -","- C864 H816 Ag32 N16 P32 -","8","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0739","0.055","","","0.13","0.1469","","","","","","1.211","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131159","14.9798","0.0002","13.0128","0.0002","19.5957","0.0002","90","","90","","90","","3819.77","0.09","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B N6 Ni -","- C21 H18 B N6 Ni -","- C168 H144 B8 N48 Ni8 -","8","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0501","0.045","","","0.1171","0.1257","","","","","","1.073","","","","has coordinates","241439","2020-10-21","18:00:00",""
"4131184","18.21","0.03","18.2","0.03","24.12","0.04","90","","90","","90","","7994","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Br3 In P2 Pt -","- C36 H66 Br3 In P2 Pt -","- C288 H528 Br24 In8 P16 Pt8 -","8","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.03","0.0239","","","0.0606","0.0641","","","","","","1.034","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131230","20.5502","0.0007","7.9367","0.0003","37.7229","0.0014","90","","90","","90","","6152.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H30 N4 O -","- C42 H30 N4 O -","- C336 H240 N32 O8 -","8","1","","Tsujimoto, Hiroyuki; Ha, Dong-Gwang; Markopoulos, Georgios; Chae, Hyun Sik; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer.","Journal of the American Chemical Society","2017","139","13","4894","4900","10.1021/jacs.7b00873","","","0.71073","MoKα","","0.0596","0.0465","","","0.1227","0.1327","","","","","","1.052","","","","has coordinates","241484","2020-10-21","18:00:00",""
"4131237","18.901","0.004","11.782","0.002","23.68","0.005","90","","90","","90","","5273.3","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C64 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.1366","0.0789","","","0.1415","0.1628","","","","","","1.09","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131297","16.218","0.0008","20.5475","0.0009","24.1827","0.0009","90","","90","","90","","8058.6","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H60 N O4 P Pd -","- C45 H60 N O4 P Pd -","- C360 H480 N8 O32 P8 Pd8 -","8","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0401","0.0348","","","0.0839","0.0876","","","","","","1.042","","","","has coordinates","241529","2020-10-21","18:00:00",""
"4131320","21.9571","0.001","18.7784","0.0009","25.3992","0.0011","90","","90","","90","","10472.6","0.8","120","","120","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C424 H536 Br8 Cl8 Fe8 N24 Nb8 O16 P24 -","8","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0675","0.0392","","0.1045","0.0829","0.1045","","","","","","1.0211","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131355","18.5403","0.0004","22.3875","0.0005","28.9019","0.0007","90","","90","","90","","11996.3","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H52 B Fe N3 O2 P2 -","- C25 H52 B Fe N3 O2 P2 -","- C400 H832 B16 Fe16 N48 O32 P32 -","16","2","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.1051","0.0453","","","0.0414","0.0474","","","","1.58","1.58","1.33","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131381","10.6254","0.001","17.428","0.002","21.959","0.002","90","","90","","90","","4066.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","71452-149","gene959","","- C25 H23 F O2 -","- C25 H23 F O2 -","- C200 H184 F8 O16 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1","0.0493","","","0.1142","0.1493","","","","","","1.014","","","","has coordinates","241602","2020-10-21","18:00:00",""
"4131425","16.80637","0.00013","14.39046","0.0001","18.03556","0.00014","90","","90","","90","","4361.93","0.06","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 F5 P Pd -","- C20 H32 F5 P Pd -","- C160 H256 F40 P8 Pd8 -","8","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0235","0.0235","","","0.0598","0.0598","","","","","","1.093","","","","has coordinates","241631","2020-10-21","18:00:00",""
"4131456","18.4342","0.001","19.3195","0.0012","21.7657","0.0012","90","","90","","90","","7751.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H60 N2 Ni Si2 -","- C37 H60 N2 Ni Si2 -","- C296 H480 N16 Ni8 Si16 -","8","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","","0.71073","MoKα","","0.0768","0.0422","","","0.0847","0.0979","","","","","","1.019","","","","has coordinates","241654","2020-10-21","18:00:00",""
"4131574","19.0961","0.0016","33.161","0.003","34.712","0.003","90","","90","","90","","21981","3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C116.5 H88.26 Co4 N28.25 O8 -","- C116.584 H88.408 Co4 N28.292 O8 -","- C932.672 H707.264 Co32 N226.336 O64 -","8","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1228","0.0876","","","0.1854","0.2024","","","","","","1.165","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131621","12.0069","0.0002","13.087","0.0002","21.3835","0.0003","90","","90","","90","","3360.08","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0685","0.0575","","","0.1511","0.1618","","","","","","1.027","","","","has coordinates","241797","2020-10-21","18:00:00",""
"4131632","7.086","0.0005","16.5585","0.001","32.23","0.002","90","","90","","90","","3781.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SKI-138C","sarpong86","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0937","0.0784","","","0.2156","0.2289","","","","","","1.032","","","","has coordinates","241808","2020-10-21","18:00:00",""
"4131717","13.9532","0.0009","12.0587","0.0007","20.2467","0.0012","90","","90","","90","","3406.7","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0492","0.0429","","","0.1505","0.157","","","","","","1.304","","","","has coordinates","241886","2020-10-21","18:00:00",""
"4131756","7.6381","0.0008","19.931","0.002","20.56","0.002","90","","90","","90","","3130","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TriPO-C","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0935","0.0649","","","0.1289","0.1411","","","","","","1.099","","","","has coordinates","241924","2020-10-21","18:00:00",""
"4131777","19.038","0.0002","27.4178","0.0003","29.8069","0.0003","90","","90","","90","","15558.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H94 Bi N2 O S4 Si2 -","- C90 H94 Bi N2 O S4 Si2 -","- C720 H752 Bi8 N16 O8 S32 Si16 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0567","0.0481","","","0.1428","0.1503","","","","","","1.125","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131787","26.281","0.0014","29.462","0.0016","18.3223","0.001","90","","90","","90","","14186.8","1.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H70 B F15 Mg N6 Si3 -","- C73 H70 B F15 Mg N6 Si3 -","- C584 H560 B8 F120 Mg8 N48 Si24 -","8","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.143","0.0616","","","0.1274","0.158","","","","","","1.09","","","","has coordinates","241939","2020-10-21","18:00:00",""
"4131965","10.4132","0.0003","13.5716","0.0003","29.547","0.0008","90","","90","","90","","4175.69","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N5 O8 S2 -","- C18 H21 N5 O8 S2 -","- C144 H168 N40 O64 S16 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0412","0.0346","","","0.084","0.0879","","","","","","1.047","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4132069","14.0318","0.0003","15.674","0.0003","33.3126","0.0006","90","","90","","90","","7326.6","0.2","100","2","100.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H118 Fe2 P2 Si2 -","- C82 H118 Fe2 P2 Si2 -","- C328 H472 Fe8 P8 Si8 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0481","0.0353","","","0.0845","0.0916","","","","","","1.036","","","","has coordinates,has disorder","242111","2020-10-21","18:00:00",""
"4132122","19.4006","0.001","25.4448","0.0014","25.5338","0.0012","90","","90","","90","","12604.6","1.1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H83 F7 N O4 P Pd S -","- C63 H83 F7 N O4 P Pd S -","- C504 H664 F56 N8 O32 P8 Pd8 S8 -","8","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common Soluble Base in C-N Coupling.","Journal of the American Chemical Society","2018","140","13","4721","4725","10.1021/jacs.8b01696","","","1.54178","CuKα","","0.1013","0.0542","","","0.1291","0.1626","","","","","","1.029","","","","has coordinates,has disorder","242165","2020-10-21","18:00:00",""
"4132157","11.5962","0.0005","14.1871","0.0007","21.2925","0.0009","90","","90","","90","","3503","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0562","0.0425","","","0.0997","0.1077","","","","","","1.062","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132166","8.2294","0.001","18.282","0.002","22.361","0.003","90","","90","","90","","3364.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","nv723","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0575","0.047","","","0.1224","0.1303","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132239","19.3814","0.0003","16.8448","0.0003","21.1946","0.0003","90","","90","","90","","6919.52","0.19","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H44 Si6 -","- C32 H44 Si6 -","- C256 H352 Si48 -","8","1","","Marro, Eric A.; Press, Eric M.; Siegler, Maxime A.; Klausen, Rebekka S.","Directional Building Blocks Determine Linear and Cyclic Silicon Architectures.","Journal of the American Chemical Society","2018","140","18","5976","5986","10.1021/jacs.8b02541","","","0.71073","MoKα","","0.0382","0.0302","","","0.0742","0.0787","","","","","","1.075","","","","has coordinates","242240","2020-10-21","18:00:00",""
"4132318","18.5406","0.0005","24.8594","0.0006","19.5832","0.0005","90","","90","","90","","9026.1","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C280 H512 B8 K8 Mo8 N48 O88 Si4 -","4","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0611","0.0296","","","0.0475","0.0515","","","","","","0.83","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132323","14.502","0.004","16.495","0.004","24.257","0.006","90","","90","","90","","5803","3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 O5 Si -","- C28 H48 O5 Si -","- C224 H384 O40 Si8 -","8","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.1187","0.0761","","","0.1818","0.2142","","","","","","1.061","","","","has coordinates,has disorder","242309","2020-10-21","18:00:00",""
"4132367","10.3789","0.0002","8.0553","0.0002","29.9399","0.0007","90","","90","","90","","2503.13","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0543","0.045","","","0.1063","0.1132","","","","","","1.057","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132368","10.1733","0.0002","9.2676","0.0002","26.9341","0.0008","90","","90","","90","","2539.4","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0621","0.0463","","","0.1053","0.1151","","","","","","1.031","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132383","13.6466","0.0003","9.3168","0.0002","27.5704","0.0007","90","","90","","90","","3505.37","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.0761","0.0615","","","0.1617","0.1853","","","","","","1.183","","","","has coordinates","242366","2020-10-21","18:00:00",""
"4132432","12.0886","0.0006","13.2869","0.0011","26.5089","0.0013","90","","90","","90","","4257.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C168 H216 N16 O16 P8 Ru8 -","8","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0544","0.039","","","0.0762","0.0804","","","","","","1.074","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132513","20.9189","0.0002","17.0445","0.0002","26.4122","0.0003","90","","90","","90","","9417.33","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H67 Au F5 N O4 -","- C48 H67 Au F5 N O4 -","- C384 H536 Au8 F40 N8 O32 -","8","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71075","MoKα","","0.0819","0.061","","","0.1428","0.1547","","","","","","1.034","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132656","16.882","0.003","11.9432","0.0019","30.22","0.005","90","","90","","90","","6093.1","1.8","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 Hf N3 Si -","- C27 H51 Hf N3 Si -","- C216 H408 Hf8 N24 Si8 -","8","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0322","0.0238","","","0.0543","0.0592","","","","","","1.104","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132664","19.425","0.006","21.843","0.008","25.309","0.008","90","","90","","90","","10739","6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H68 B2 Br4 N6 -","- C50 H68 B2 Br4 N6 -","- C400 H544 B16 Br32 N48 -","8","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0582","0.033","","","0.0724","0.0834","","","","","","1.017","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132713","7.9565","0.0011","15.697","0.002","24.285","0.003","90","","90","","90","","3033","0.7","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Me2fBPDC","","- C16 H6 F8 O4 -","- C16 H6 F8 O4 -","- C128 H48 F64 O32 -","8","1","","Ji, Pengfei; Drake, Tasha; Murakami, Akiko; Oliveres, Pau; Skone, Jonathan H.; Lin, Wenbin","Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies.","Journal of the American Chemical Society","2018","140","33","10553","10561","10.1021/jacs.8b05765","","","0.41328","synchrotron","","0.0436","0.0366","","","0.0943","0.1003","","","","","","1.049","","","","has coordinates","242633","2020-10-21","18:00:00",""
"4132739","16.5007","0.0011","12.171","0.0007","18.2951","0.0012","90","","90","","90","","3674.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 Cl12 Si4 -","- C2 Cl12 Si4 -","- C16 Cl96 Si32 -","8","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.043","0.0353","","","0.0889","0.093","","","","","","1.017","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132798","6.69","0.002","14.091","0.004","31.349","0.011","90","","90","","90","","2955.2","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0707","0.0458","","","0.1122","0.1275","","","","","","1.021","","","","has coordinates","242698","2020-10-21","18:00:00",""
"4132800","18.2222","0.0016","17.2648","0.0015","16.207","0.0014","90","","90","","90","","5098.8","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38 B N O2 -","- C28 H38 B N O2 -","- C224 H304 B8 N8 O16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0552","0.0476","","","0.1158","0.1204","","","","","","1.047","","","","has coordinates","242701","2020-10-21","18:00:00",""
"4132958","11.1866","0.0003","21.5051","0.0005","33.2328","0.0008","90","","90","","90","","7994.8","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C352 H384 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","242818","2020-10-21","18:00:00",""
"4132959","10.6043","0.0003","21.8901","0.0007","32.5434","0.0008","90","","90","","90","","7554.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C336 H352 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1536","0.0676","","","0.1474","0.1894","","","","","","0.996","","","","has coordinates","242819","2020-10-21","18:00:00",""
"4132962","18.041","0.003","8.9247","0.0017","21.595","0.004","90","","90","","90","","3477","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.1091","0.0577","","","0.1367","0.1657","","","","","","1.016","","","","has coordinates,has disorder","242822","2020-10-21","18:00:00",""
"4133023","29.5594","0.0009","11.4252","0.0002","32.9221","0.0008","90","","90","","90","","11118.5","0.5","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H48 B Cl3 Cu F2 N5 O -","- C63 H48 B Cl3 Cu F2 N5 O -","- C504 H384 B8 Cl24 Cu8 F16 N40 O8 -","8","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","","1.54184","CuKα","","0.1055","0.098","","","0.2528","0.2586","","","","","","1.128","","","","has coordinates,has disorder","242876","2020-10-21","18:00:00",""
"4133051","9.204","0.003","10.736","0.003","37.751","0.009","90","","90","","90","","3730.3","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N4 O4 S -","- C17 H22 N4 O4 S -","- C136 H176 N32 O32 S8 -","8","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0569","0.0478","","","0.1148","0.1191","","","","","","1.093","","","","has coordinates,has disorder","242898","2020-10-21","18:00:00",""
"4133072","7.1478","0.0007","19.364","0.002","20.976","0.002","90","","90","","90","","2903.3","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Zhang, Bing; Wei, Mufeng; Mao, Haiyan; Pei, Xiaokun; Alshmimri, Sultan A.; Reimer, Jeffrey A.; Yaghi, Omar M.","Crystalline Dioxin-Linked Covalent Organic Frameworks from Irreversible Reactions.","Journal of the American Chemical Society","2018","140","40","12715","12719","10.1021/jacs.8b08374","","x-ray","0.7288","synchrotron","","0.0438","0.0375","","","0.0963","0.1021","","","","","","1.066","","","","has coordinates","242918","2020-10-21","18:00:00",""
"4133118","16.5937","0.0015","18.4373","0.0017","19.3881","0.0018","90","","90","","90","","5931.7","0.9","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N2 O -","- C38 H38 N2 O -","- C304 H304 N16 O8 -","8","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0962","0.0567","","","0.1261","0.1437","","","","","","1.04","","","","has coordinates","242958","2020-10-21","18:00:00",""
"4133126","19.294","0.0008","12.8245","0.0005","19.7857","0.0008","90","","90","","90","","4895.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","GaRhCl","GaRhCl","","- C22 H26 Cl3 Ga N7 Rh -","- C22 H26 Cl3 Ga N7 Rh -","- C176 H208 Cl24 Ga8 N56 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0325","0.0243","","","0.0551","0.06","","","","","","1.052","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133127","17.4625","0.0007","12.5659","0.0005","20.6692","0.0009","90","","90","","90","","4535.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GaRhMe","GaRhMe","","- C23 H28.5 Ga N7.5 Rh -","- C23 H28.5 Ga N7.5 Rh -","- C184 H228 Ga8 N60 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0219","0.0187","","","0.0445","0.0458","","","","","","1.051","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133137","8.7483","0.0007","16.381","0.0012","23.7451","0.0016","90","","90","","90","","3402.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.5","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.1314","0.0762","","","0.172","0.2003","","","","","","1.065","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133193","14.7312","0.0014","10.3767","0.001","15.206","0.0016","90","","90","","90","","2324.4","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O6 -","- C11 H15 O6 -","- C88 H120 O48 -","8","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133239","11.3602","0.0013","21.871","0.002","32.332","0.004","90","","90","","90","","8033.2","1.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Cl -","- C26 H33 Cl -","- C416 H528 Cl16 -","16","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1192","0.0694","","","0.1367","0.1575","","","","","","1.028","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4133390","16.555","0.0013","11.7095","0.0002","17.7899","0.0014","90","","90","","90","","3448.6","0.4","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Li N2 Ni -","- C16 H29 Li N2 Ni -","- C128 H232 Li8 N16 Ni8 -","8","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates","276364","2022-06-28","17:43:35",""
"4133487","8.6067","0.0012","9.8761","0.0015","21.569","0.003","90","","90","","90","","1833.4","0.5","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1029","0.0735","","","0.1997","0.2157","","","","","","1.094","","","","has coordinates","243256","2020-10-21","18:00:00",""
"4133488","8.6046","0.001","9.8826","0.0011","21.43","0.003","90","","90","","90","","1822.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0809","0.056","","","0.1452","0.1589","","","","","","1.041","","","","has coordinates","243257","2020-10-21","18:00:00",""
"4133489","8.6191","0.0016","9.901","0.0019","21.737","0.004","90","","90","","90","","1855","0.6","269","2","269","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1025","0.0732","","","0.199","0.2149","","","","","","1.094","","","","has coordinates","243258","2020-10-21","18:00:00",""
"4133490","8.7702","0.0018","9.952","0.002","21.743","0.004","90","","90","","90","","1897.8","0.6","310","2","310","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1024","0.0717","","","0.1967","0.2173","","","","","","1.053","","","","has coordinates","243259","2020-10-21","18:00:00",""
"4133491","8.7678","0.0017","9.943","0.002","21.634","0.004","90","","90","","90","","1886","0.6","279","2","279","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.103","0.0713","","","0.1906","0.2115","","","","","","1.058","","","","has coordinates","243260","2020-10-21","18:00:00",""
"4133492","8.6175","0.0016","9.8992","0.0019","21.74","0.004","90","","90","","90","","1854.6","0.6","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1014","0.0747","","","0.201","0.2152","","","","","","1.089","","","","has coordinates","243261","2020-10-21","18:00:00",""
"4133493","8.6168","0.0015","9.898","0.0019","21.715","0.004","90","","90","","90","","1852.1","0.6","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0974","0.0717","","","0.1987","0.2129","","","","","","1.092","","","","has coordinates","243262","2020-10-21","18:00:00",""
"4133494","8.6152","0.0015","9.8905","0.0018","21.64","0.004","90","","90","","90","","1843.9","0.6","229","2","229","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0857","0.0689","","","0.1886","0.1999","","","","","","1.085","","","","has coordinates","243263","2020-10-21","18:00:00",""
"4133495","8.6189","0.0016","9.8998","0.0019","21.717","0.004","90","","90","","90","","1853","0.6","259","2","259","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0884","0.071","","","0.1935","0.2053","","","","","","1.079","","","","has coordinates","243264","2020-10-21","18:00:00",""
"4133496","8.7703","0.0018","9.946","0.002","21.667","0.005","90","","90","","90","","1890","0.7","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1053","0.0726","","","0.199","0.2201","","","","","","1.068","","","","has coordinates","243265","2020-10-21","18:00:00",""
"4133497","8.6116","0.0013","9.885","0.0016","21.582","0.003","90","","90","","90","","1837.2","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.099","0.0698","","","0.187","0.2009","","","","","","1.085","","","","has coordinates","243266","2020-10-21","18:00:00",""
"4133498","8.6181","0.0015","9.8959","0.0018","21.651","0.004","90","","90","","90","","1846.5","0.6","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1027","0.0734","","","0.2004","0.2165","","","","","","1.092","","","","has coordinates","243267","2020-10-21","18:00:00",""
"4133499","8.7614","0.0017","9.9569","0.0015","21.863","0.004","90","","90","","90","","1907.2","0.6","340","2","340","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0973","0.0618","","","0.1841","0.2055","","","","","","1.061","","","","has coordinates","243268","2020-10-21","18:00:00",""
"4133500","8.7668","0.0016","9.9419","0.0019","21.658","0.004","90","","90","","90","","1887.7","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1001","0.0709","","","0.1934","0.2105","","","","","","1.046","","","","has coordinates","243270","2020-10-21","18:00:00",""
"4133519","13.0489","0.0003","15.1168","0.0004","16.9239","0.0004","90","","90","","90","","3338.37","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","175-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0489","0.0347","","","0.081","0.092","","","","","","1.07","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133522","6.905","0.0002","20.104","0.0006","22.846","0.0006","90","","90","","90","","3171.44","0.16","298","","298","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Br F5 N2 O Pd -","- C16 H8 Br F5 N2 O Pd -","- C128 H64 Br8 F40 N16 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0625","0.0364","","","0.0741","0.0843","","","","","","1.0365","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133524","7.8072","0.0003","15.7255","0.0006","32.2864","0.0016","90","","90","","90","","3963.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F3 N3 O Pd -","- C22 H16 F3 N3 O Pd -","- C176 H128 F24 N24 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0977","0.0512","","","0.0909","0.1122","","","","","","1.065","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133544","9.67683","0.00019","11.05812","0.00017","20.5604","0.0005","90","","90","","90","","2200.12","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0573","0.0461","","","0.1144","0.1223","","","","","","1.082","","","","has coordinates","243301","2020-10-21","18:00:00",""
"4133565","17.0256","0.0008","15.8891","0.0007","32.2683","0.0015","90","","90","","90","","8729.3","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H62 N8 P2 Zr -","- C44 H62 N8 P2 Zr -","- C352 H496 N64 P16 Zr8 -","8","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.1009","0.0556","","","0.0985","0.1143","","","","","","1.062","","","","has coordinates,has disorder","243322","2020-10-21","18:00:00",""
"4133579","23.9213","0.0009","17.921","0.0007","32.1974","0.0013","90","","90","","90","","13802.8","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C566 H540 B16 Cl76 N32 S16 Sb8 -","8","1","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1131","0.0921","","","0.1843","0.196","","","","","","1.09","","","","has coordinates,has disorder","243334","2020-10-21","18:00:00",""
"4133604","15.8154","0.0008","21.7298","0.001","31.6007","0.0019","90","","90","","90","","10860.1","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C392 H544 Al8 Br24 Ge8 N32 O16 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.114","0.0672","","","0.1597","0.1953","","","","","","1.034","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133630","16.9921","0.0003","21.7092","0.0004","27.5293","0.0004","90","","90","","90","","10155.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H67 N5 O2 Si2 -","- C55 H67 N5 O2 Si2 -","- C440 H536 N40 O16 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0762","0.0517","","","0.1349","0.152","","","","","","1.024","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133647","14.361","0.003","20.959","0.004","21.535","0.004","90","","90","","90","","6482","2","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N4 Si Yb -","- C28 H52 N4 Si Yb -","- C224 H416 N32 Si8 Yb8 -","8","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","0.71073","MoKα","","0.0992","0.0375","","","0.0654","0.0832","","","","","","0.982","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133703","16.4129","0.0009","13.8617","0.0007","46.111","0.002","90","","90","","90","","10490.7","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C360 H456 B16 Cl48 F64 Fe8 N64 O8 -","8","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1683","0.0776","","","0.1409","0.1744","","","","","","1.014","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133719","23.695","0.003","18.5885","0.0019","25.738","0.002","90","","90","","90","","11336","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C48 H79 N5 Si2 -","- C48 H79 N5 Si2 -","- C384 H632 N40 Si16 -","8","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0466","0.0428","","","0.1062","0.1091","","","","","","1.074","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133878","21.975","0.004","22.822","0.005","50.375","0.01","90","","90","","90","","25264","9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H55 Au N2 -","- C53 H55 Au N2 -","- C1272 H1320 Au24 N48 -","24","3","","Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11587","","","0.82653","synchrotron","","0.0549","0.044","","","0.1133","0.1209","","","","","","1.044","","","","has coordinates,has disorder","246314","2020-10-21","18:00:00",""
"4133879","19.0957","0.0003","18.7627","0.0003","20.0038","0.0003","90","","90","","90","","7167.1","0.19","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H132 N2 O19 V6 -","- C56 H132 N2 O19 V6 -","- C224 H528 N8 O76 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0404","0.0352","","","0.0931","0.0961","","","","","","1.076","","","","has coordinates","246332","2020-10-21","18:00:00",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133948","17.8903","0.0005","18.0868","0.0004","30.1101","0.0008","90","","90","","90","","9743","0.4","219.99","0.18","219.99","0.18","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cl2 -","- C58 H58 Cl2 -","- C464 H464 Cl16 -","8","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.1231","0.1048","","","0.2671","0.2862","","","","","","1.931","","","","has coordinates","246837","2020-10-21","18:00:00",""
"4134081","11.9584","0.0002","26.4385","0.0007","31.6565","0.001","90","","90","","90","","10008.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C480 H672 O48 -","24","3","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0949","0.0635","","","0.1504","0.1789","","","","","","1.028","","","","has coordinates","247315","2020-10-21","18:00:00",""
"4134083","10.9261","0.0006","17.1581","0.0009","37.691","0.002","90","","90","","90","","7066","0.7","200","2","199.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Ba F6 N3 O12 S2 -","- C27 H33 Ba F6 N3 O12 S2 -","- C216 H264 Ba8 F48 N24 O96 S16 -","8","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0408","0.037","","","0.098","0.1008","","","","","","1.032","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","247481","2020-10-21","18:00:00",""
"4134160","15.8749","0.0006","16.2805","0.0006","18.0681","0.0006","90","","90","","90","","4669.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-3","Zn(Im)1.81(ClmbIm)0.19","","- C16.22 H18.58 Cl0.38 N8.78 O0.78 Zn2 -","- C16.215 H17.46 Cl0.375 N8.78 O0.78 Zn2 -","- C129.72 H139.68 Cl3 N70.24 O6.24 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.1257","0.0968","","","0.295","0.3257","","","","","","1.205","","","","has coordinates,has disorder","248049","2020-10-21","18:00:00",""
"4134161","15.556","0.0005","15.6538","0.0005","18.0875","0.0006","90","","90","","90","","4404.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-2","Zn(Im)1.87(ClFbIm)0.13","","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C104.32 H96 Cl2.08 F2.08 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0535","0.0459","","","0.1408","0.1511","","","","","","1.074","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134162","15.697","0.0008","15.9694","0.001","17.9282","0.0016","90","","90","","90","","4494.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-UC-4","Zn(Im)1.66(FbIm)0.34","","- C14.73 H12 F0.68 N8 Zn2 -","- C14.728 H12.682 F0.682 N8 Zn2 -","- C117.824 H101.456 F5.456 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","x-ray","1.54184","CuKα","","0.1017","0.0663","","","0.1901","0.2174","","","","","","1.065","","","","has coordinates,has disorder","248051","2020-10-21","18:00:00",""
"4134163","15.726","0.0008","16.0184","0.0011","18.1617","0.001","90","","90","","90","","4575","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-5","Zn(Im)1.72(ClbIm)0.28","","- C15.44 H14.73 Cl0.57 N8.39 O0.39 Zn2 -","- C15.439 H15.291 Cl0.568 N8.389 O0.389 Zn2 -","- C123.512 H122.328 Cl4.544 N67.112 O3.112 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0872","0.0646","","","0.1888","0.2107","","","","","","1.103","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134226","26.754","0.003","26.05","0.003","31.756","0.003","90","","90","","90","","22132","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C993.2 H828 Cl66.4 N80 O112 P16 -","8","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71073","MoKα","","0.1286","0.0769","","","0.199","0.2227","","","","","","1.358","","","","has coordinates,has disorder","248379","2020-10-21","18:00:00",""
"4134315","16.1941","0.0006","13.2477","0.0004","16.5076","0.0004","90","","90","","90","","3541.45","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1177","0.1274","","","","","","1.051","","","","has coordinates","248660","2020-10-21","18:00:00",""
"4134317","13.1543","0.0005","16.221","0.0005","16.6984","0.0005","90","","90","","90","","3563","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.0522","0.0475","","","0.1303","0.136","","","","","","1.024","","","","has coordinates","248662","2020-10-21","18:00:00",""
"4134350","9.1437","0.0002","8.6684","0.0002","28.5984","0.0005","90","","90","","90","","2266.74","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.0435","0.029","","","0.0523","0.0561","","","","","","1.048","","","","has coordinates","249141","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134619","11.3834","0.0003","7.3039","0.0002","15.8799","0.0004","90","","90","","90","","1320.31","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O2 -","- C4 H6 N6 O2 -","- C32 H48 N48 O16 -","8","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0458","0.044","","","0.1157","0.1175","","","","","","1.093","","","","has coordinates","250410","2020-10-21","18:00:00",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134754","14.4159","0.0007","12.894","0.0005","28.4623","0.0012","90","","90","","90","","5290.5","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C240 H336 O40 -","8","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1225","0.0656","","","0.1282","0.148","","","","","","1.007","","","","has coordinates","250939","2020-10-21","18:00:00",""
"4134762","22.3072","0.0009","17.7179","0.0008","30.6044","0.0014","90","","90","","90","","12096","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H152 B20 Ir4 N8 O8 S4 -","- C104 H120 B20 Ir4 N8 S4 -","- C416 H480 B80 Ir16 N32 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0926","0.073","","","0.1754","0.1859","","","","","","1.068","","","","has coordinates,has disorder","251030","2020-10-21","18:00:00",""
"4134765","21.999","0.004","18.835","0.004","27.602","0.006","90","","90","","90","","11437","4","143","2","143","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H136 F12 Ir4 N4 O26 S4 -","- C96 H108 F12 Ir4 N4 O22 S4 -","- C384 H432 F48 Ir16 N16 O88 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0439","0.0422","","","0.1206","0.1226","","","","","","1.035","","","","has coordinates,has disorder","251033","2020-10-21","18:00:00",""
"4134800","16.6583","0.0002","9.9298","0.0001","19.3483","0.0002","90","","90","","90","","3200.47","0.06","108","3","108","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","1","","Wang, Hao; Gao, Yuzhen; Zhou, Chunlin; Li, Gang","Visible-Light-Driven Reductive Carboarylation of Styrenes with CO<sub>2</sub> and Aryl Halides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03144","","","1.3405","GaKα","","0.0375","0.0355","","","0.0877","0.0891","","","","","","1.038","","","","has coordinates","251152","2020-10-21","18:00:00",""
"4134842","27.3961","0.0004","17.5818","0.0002","28.1908","0.0004","90","","90","","90","","13578.7","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C520 H568 Mn8 N16 O16 P24 S24 Si24 -","8","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0448","0.041","","","0.1217","0.1272","","","","","","1.034","","","","has coordinates,has disorder","251286","2020-10-21","18:00:00",""
"4134855","14.765","0.005","16.931","0.003","22.655","0.003","90","","90","","90","","5663","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cu N -","- C37 H36 Cu N -","- C296 H288 Cu8 N8 -","8","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0399","0.0303","","","0.0805","0.0859","","","","","","1.035","","","","has coordinates","251365","2020-10-21","18:00:00",""
"4134905","17.6809","0.0003","13.9926","0.0002","30.1337","0.0005","90","","90","","90","","7455.1","0.2","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C256 H250.8 Cl16 F96 N48 O8 P16 Ru8 -","8","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0842","0.0698","","","0.1434","0.1487","","","","","","1.206","","","","has coordinates,has disorder","251777","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134964","19.7281","0.0008","15.4483","0.0009","30.7824","0.0013","90","","90","","90","","9381.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C65 H52 Cl2 N2 -","- C65 H52 Cl2 N2 -","- C520 H416 Cl16 N16 -","8","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1227","0.0669","","","0.1545","0.1903","","","","","","1.026","","","","has coordinates,has disorder","252098","2020-10-21","18:00:00",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4135001","21.364","0.007","18.351","0.004","29.604","0.005","90","","90","","90","","11606","5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H92 Fe2 N2 P6 -","- C60 H92 Fe2 N2 P6 -","- C480 H736 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0883","0.0703","","","0.1317","0.1406","","","","","","1.134","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135140","8.4594","0.0004","17.1371","0.0012","33.46","0.002","90","","90","","90","","4850.7","0.5","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 Si -","- C24 H32 N2 O6 Si -","- C192 H256 N16 O48 Si8 -","8","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.1285","0.065","","","0.1529","0.1952","","","","","","1.029","","","","has coordinates","254805","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135436","24.2191","0.0004","23.9973","0.0005","27.2389","0.0005","90","","90","","90","","15831.1","0.5","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ge2 N4 Te2 -","- C90 H100 Ge2 N4 Te2 -","- C720 H800 Ge16 N32 Te16 -","8","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0735","0.0409","","","0.0721","0.0815","","","","","","1.046","","","","has coordinates","260253","2020-12-30","23:57:02",""
"4135574","9.4303","0.0007","15.891","0.0011","16.744","0.0012","90","","90","","90","","2509.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C104 H104 Br8 O8 S8 -","8","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0271","0.0223","","","0.0557","0.0579","","","","","","1.062","","","","has coordinates","261453","2021-02-04","00:39:29",""
"4135601","9.5532","0.0003","6.3625","0.0002","16.3333","0.0005","90","","90","","90","","992.77","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-nitro-semicarbazid","4-nitro-semicarbazid","","- C H6 N4 O4 -","- C H6 N4 O4 -","- C8 H48 N32 O32 -","8","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0707","0.0752","","","","","","1.058","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135624","8.438","0.0007","16.7089","0.0013","25.36","0.002","90","","90","","90","","3575.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0492","0.0382","","","0.0856","0.0899","","","","","","1.05","","","","has coordinates","261489","2021-02-04","01:01:40",""
"4300063","18.928","0.013","12.769","0.009","29.5","0.02","90","","90","","90","","7130","9","293","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H40 Br6 Mo3 N2 S7 -","- C16 H40 Br6 Mo3 N2 S7 -","- C128 H320 Br48 Mo24 N16 S56 -","8","1","","Virginie Béreau; Christopher G. Pernin; James A. Ibers","Reactivity of the [Mo3(μ3-S)(μ2-S2)3Br6]2- Anion toward the Imidodiphosphinochalcogenido Ligands [N(QPPh2)2]- (Q = S, Se): Synthesis and Characterization of [Mo3(μ3-S)(μ2-S2)3{N(QPPh2)2}3]Br","Inorganic Chemistry","2000","39","","854","856","10.1021/ic9907056","","","0.71073","MoKα","","0.0706","0.0344","","","0.0689","0.0769","","","","","","0.819","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300117","17.113","0.003","20.744","0.004","23.302","0.006","90","","90","","90","","8272","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","meso-(mu!2$-Oxo)-bis[dichloro-(1,5,6-trimethylbenzimidazole)-(3,5-luti dine)-oxo-rhenium(v)] acetone solvate","","- C35.5 H45 Cl4 N6 O3.5 Re2 -","- C35.5 H41 Cl4 N6 O3.5 Re2 -","- C284 H328 Cl32 N48 O28 Re16 -","8","1","","Enzo Alessio; Ennio Zangrando; Elisabetta Iengo; Michela Macchi; Patricia A. Marzilli; Luigi G. Marzilli","Understanding the Orientation and Dynamic Motion of Planar Heterocyclic N-Donor Ligands by Exploiting the Symmetry Properties of Mixed-Ligand μ-Oxorhenium(V) Dinuclear Complexes [ReOCl2(L)(L')]-O-[ReOCl2(L)(L')]: A Combined X-ray Structural and Dynamic NMR Investigation","Inorganic Chemistry","2000","39","","294","303","10.1021/ic990858t","","","0.8","synchrotron","","0.0582","0.0522","","0.1385","0.1354","","","","1.097","1.146","1.146","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300118","12.6295","0.0007","20.7874","0.0009","18.3301","0.0013","90","","90","","90","","4812.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cu Gd N6 O12 -","- C17 H23 Cu Gd N6 O12 -","- C136 H184 Cu8 Gd8 N48 O96 -","8","1","","Jean-Pierre Costes; Françoise Dahan; Arnaud Dupuis; Jean-Pierre Laurent","Is Ferromagnetism an Intrinsic Property of the CuII/GdIIICouple? 1. Structures and Magnetic Properties of Two Novel Dinuclear Complexes with a μ-Phenolato-μ-Oximato (Cu,Gd) Core","Inorganic Chemistry","2000","39","","169","173","10.1021/ic990864p","","","0.71073","MoKα","","0.0573","0.0264","","","0.0535","0.0678","","","","","","1.069","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300421","8.6","0.002","13.44","0.004","24.083","0.007","90","","90","","90","","2783.6","1.3","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn(N3)2(chloro-pyrazine)2]n","","","- C8 H6 Cl2 Mn N10 -","- C8 H6 Cl2 Mn N10 -","- C64 H48 Cl16 Mn8 N80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300424","8.521","0.002","13.787","0.003","26.237","0.005","90","","90","","90","","3082.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn(Ipyz)2(N3)2]n","","","- C8 H6 I2 Mn N10 -","- C8 H6 I2 Mn N10 -","- C64 H48 I16 Mn8 N80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300429","15.3184","0.0013","10.4897","0.0015","18.8193","0.0017","90","","90","","90","","3024","0.6","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Ag B F4 N4 -","- C12 H16 Ag B F4 N4 -","- C96 H128 Ag8 B8 F32 N32 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300452","18.333","0.009","15.787","0.008","22.395","0.011","90","","90","","90","","6481.3","5.4","212.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Cl Cu N6 O4 -","- C28 H46 Cl Cu N6 O4 -","- C224 H368 Cl8 Cu8 N48 O32 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300453","16.24","0.004","27.748","0.007","17.75","0.005","90","","90","","90","","7998.7","3.5","212.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H51 Cl2 Cu F6 N7 P -","- C31 H51 Cl2 Cu F6 N7 P -","- C248 H408 Cl16 Cu8 F48 N56 P8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300483","11.561","0.0015","12.6399","0.0017","13.2156","0.0017","90","","90","","90","","1931.2","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H12 Au Cl3 N2 O2 -","- C2 H12 Au Cl3 N2 O2 -","- C16 H96 Au8 Cl24 N16 O16 -","8","1","","Zhu, Shourong; Gorski, Waldemar; Powell, Douglas R.; Walmsley, Judith A.","","Inorganic Chemistry","2006","","","","","10.1021/ic051411p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300488","17.999","0.002","20.75","0.002","21.876","0.002","90","","90","","90","","8170","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 Co2 N8 -","- C42 H60 Co2 N8 -","- C336 H480 Co16 N64 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300490","17.94","0.003","20.849","0.003","21.87","0.003","90","","90","","90","","8180","4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 N8 Zn2 -","- C42 H60 N8 Zn2 -","- C336 H480 N64 Zn16 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300491","19.531","0.004","22.835","0.004","24.407","0.005","90","","90","","90","","10885","4","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H45 B F24 Mo P4 S2 -","- C44 H45 B F24 Mo P4 S2 -","- C352 H360 B8 F192 Mo8 P32 S16 -","8","1","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300508","13.751","0.003","23.133","0.005","27.455","0.006","90","","90","","90","","8734","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H88 Cl2 Fe2 N2 O8 -","- C108 H88 Cl2 Fe2 N2 O8 -","- C432 H352 Cl8 Fe8 N8 O32 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300586","14.2588","0.0003","21.5216","0.0009","28.1859","0.0008","90","","90","","90","","8649.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl4 F12 N6 P2 Ru -","- C36 H34 Cl4 F12 N6 P2 Ru -","- C288 H272 Cl32 F96 N48 P16 Ru8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051590a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300623","18.5586","0.0005","18.7571","0.0006","33.5543","0.0009","90","","90","","90","","11680.4","0.6","154","2","154","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MeLZn2(Ph)(NHtBu) (compound 10)","","","- C30 H41 N5 O Zn2 -","- C30 H41 N5 O Zn2 -","- C480 H656 N80 O16 Zn32 -","16","2","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates","210161","2020-10-21","18:00:00",""
"4300633","17.217","0.0002","12.964","0.0003","18.763","0.0004","90","","90","","90","","4187.92","0.14","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H36 Cu N2 O8 -","- C50 H36 Cu N2 O8 -","- C200 H144 Cu4 N8 O32 -","4","0.5","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300715","11.8803","0.0004","15.9624","0.0007","17.6111","0.0007","90","","90","","90","","3339.7","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B8 Fe2 O7 -","- C8 H12 B8 Fe2 O7 -","- C64 H96 B64 Fe16 O56 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates","210270","2020-10-21","18:00:00",""
"4300769","7.6654","0.001","18.4503","0.001","18.6808","0.001","90","","90","","90","","2642","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cu K N4 O2 -","- C8 H14 Cu K N4 O2 -","- C64 H112 Cu8 K8 N32 O16 -","8","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300810","10.0914","0.0007","19.504","0.002","42.279","0.005","90","","90","","90","","8321.5","1.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ph3PCH2Ph][PtCl5{NHC(Et)ON(CH2Ph)2}]","","","- C42 H42 Cl5 N2 O P Pt -","- C42 H42 Cl5 N2 O P Pt -","- C336 H336 Cl40 N16 O8 P8 Pt8 -","8","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.1187","0.057","","","0.1107","0.1339","","","","","","1.049","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300849","10.892","0.0013","10.8871","0.0012","38.317","0.005","90","","90","","90","","4543.7","0.9","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H22 S2 Ti -","- C30 H22 S2 Ti -","- C240 H176 S16 Ti8 -","8","1","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.2397","0.2185","","","0.4432","0.4558","","","","","","1.107","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4301116","13.0444","0.0007","25.179","0.0008","27.2213","0.0015","90","","90","","90","","8940.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H68 B3 O5 U -","- C44 H68 B3 O5 U -","- C352 H544 B24 O40 U8 -","8","1","","Thérèse Arliguie; Lotfi Belkhiri; Salah-Eddine Bouaoud; Pierre Thuéry; Claude Villiers; Abdou Boucekkine; Michel Ephritikhine","Lanthanide(III) and Actinide(III) Complexes [M(BH4)2(THF)5][BPh4] and [M(BH4)2(18-crown-6)][BPh4] (M = Nd, Ce, U): Synthesis, Crystal Structure, and Density Functional Theory Investigation of the Covalent Contribution to Metal-Borohydride Bonding","Inorganic Chemistry","2009","48","","221","230","10.1021/ic801685v","","","0.71073","MoKα","","0.0922","0.0512","","","0.1005","0.1165","","","","","","1.019","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301245","18.7927","0.0009","16.6124","0.0008","24.2202","0.0011","90","","90","","90","","7561.3","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H57 Cu S -","- C40 H57 Cu S -","- C320 H456 Cu8 S8 -","8","1","","Stanislav Groysman; R. H. Holm","A Series of Mononuclear Quasi-Two-Coordinate Copper(I) Complexes Employing a Sterically Demanding Thiolate Ligand","Inorganic Chemistry","2009","48","","621","627","10.1021/ic801836k","","","0.71073","MoKα","","0.0703","0.0525","","","0.1476","0.1645","","","","","","1.033","","","","has coordinates,has disorder","179050","2020-10-21","18:00:00",""
"4301322","19.7286","0.0005","19.7688","0.0006","22.2111","0.0007","90","","90","","90","","8662.6","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H38 Br F6 N P3 Rh -","- C49 H38 Br F6 N P3 Rh -","- C392 H304 Br8 F48 N8 P24 Rh8 -","8","1","","Shanshan Chen; Yongxin Li; Jing Zhao; Xingwei Li","Chelation-Assisted Carbon-Halogen Bond Activation by a Rhodium(I) Complex","Inorganic Chemistry","2009","48","","1198","1206","10.1021/ic801878e","","","0.71073","MoKα","","0.0796","0.0357","","","0.0911","0.1235","","","","","","1.128","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4301335","22.8555","0.0009","26.5434","0.0012","28.6078","0.0012","90","","90","","90","","17355.3","1.3","220","","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H63 Lu2 N24 O S6 -","- C81 H63 Lu2 N24 O S6 -","- C648 H504 Lu16 N192 O8 S48 -","8","1","","Aude Escande; Laure Guénée; Kerry-Lee Buchwalder; Claude Piguet","Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic Ligands Tuned by Counteranions and Steric Constraints","Inorganic Chemistry","2009","48","","1132","1147","10.1021/ic801908c","","x-ray","0.71073","MoKα","","","0.037","","","","0.033","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301353","13.7371","0.0005","15.658","0.0005","19.9617","0.0007","90","","90","","90","","4293.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 Mn4 N28 O8 -","- C30 H28 Mn4 N28 O8 -","- C120 H112 Mn16 N112 O32 -","4","0.5","","Yan-Qin Wang; Jian-Yong Zhang; Qin-Xiang Jia; En-Qing Gao; Cai-Ming Liu","Unprecedented Self-Catenated Eight-Connected Network Based on Novel Azide-Bridged Tetramanganese(II) Clusters","Inorganic Chemistry","2009","48","","789","791","10.1021/ic801968x","","","0.71073","MoKα","","0.0562","0.0337","","","0.076","0.0874","","","","","","1.014","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301461","6.051","0.003","9.205","0.005","24.743","0.013","90","","90","","90","","1378.2","1.2","153","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H6 Gd N O7 -","- C2 H6 Gd N O7 -","- C16 H48 Gd8 N8 O56 -","8","1","","David L. Rogow; Claudia H. Swanson; Allen G. Oliver; Scott R. J. Oliver","Two Related Gadolinium Aquo Carbonate 2-D and 3-D Structures and Their Thermal, Spectroscopic, and Paramagnetic Properties","Inorganic Chemistry","2009","48","","1533","1541","10.1021/ic801844b","","","0.71073","MoKα","","0.044","0.0265","","","0.0495","0.0548","","","","","","1.033","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301514","12.586","0.002","7.4091","0.0014","13.042","0.003","90","","90","","90","","1216.2","0.4","298","0.2","298","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Barium Gallium Oxide Hydroxide","","- Ba Ga2 H4 O6 -","- Ba Ga2 O6 -","- Ba8 Ga16 O48 -","8","1","","Min Kyung Kim; Vinna Jo; Il-Wun Shim; Kang Min Ok","New Inorganic Helical Chain: Synthesis, Structure, Characterization, and Interconversion of BaGa2O2(OH)4","Inorganic Chemistry","2009","48","","1275","1277","10.1021/ic802187w","","","0.71073","MoKα","","0.0273","0.0255","","","0.0656","0.0667","","","","","","1.126","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301533","12.971","0.002","9.659","0.001","15.085","0.003","90","","90","","90","","1890","0.5","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trisrubidium catena-dihydrogentriphosphide ammonia(1/1)","","- H5 N P3 Rb3 -","- H5 N P3 Rb3 -","- H40 N8 P24 Rb24 -","8","1","","Florian Kraus; Jürgen C. Aschenbrenner; T. Klamroth; Nikolaus Korber","Hydrogen Polyphosphides P3H23- and P3H32-: Synthesis and Crystal Structure of K3(P3H2).2.3NH3, Rb3(P3H2).NH3, [Rb(18-crown-6)]2(P3H3).7.5NH3, and [Cs(18-crown-6)]2(P3H3).7NH3","Inorganic Chemistry","2009","48","","1911","1919","10.1021/ic8014546","","x-ray","0.71073","MoKα","","0.0651","0.0395","","","0.0914","0.0987","","","","","","0.914","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301538","10.6095","0.0005","14.9183","0.0008","34.4581","0.0018","90","","90","","90","","5453.9","0.5","130","2","130","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(diisopropyldithiophosphinato){hydrobis(isopropyl- pyrazol-1-yl)(methoxy)borato}oxomolybdenum(IV)","","- C19 H36 B Mo N4 O2 P S2 -","- C19 H36 B Mo N4 O2 P S2 -","- C152 H288 B8 Mo8 N32 O16 P8 S16 -","8","1","","Charles G. Young; Michael S. Malarek; David J. Evans; Christian J. Doonan; Victor Wee Lin Ng; Jonathan M. White","Synthesis and Characterization of TpiPrMoO(S2PR2) (R = Pri, Ph, OEt, OPri, (-)-Mentholate) and {HB(OMe)(Pripz)2}MoO(S2PPri2), Including Isomers of Known 1,2-Borotropically-Shifted Complexes","Inorganic Chemistry","2009","48","","1960","1966","10.1021/ic8015518","","","0.71073","MoKα","","0.0517","0.034","","","0.0766","0.0825","","","","","","0.932","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301541","20.4716","0.0006","15.6606","0.0005","24.1341","0.0003","90","","90","","90","","7737.3","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H34 F12 N6 O4 P2 Ru -","- C36 H34 F12 N6 O4 P2 Ru -","- C288 H272 F96 N48 O32 P16 Ru8 -","8","1","","Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten","Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes","Inorganic Chemistry","2009","48","","1887","1900","10.1021/ic801595m","","","0.71073","MoKα","","0.0629","0.0342","","","0.0713","0.086","","","","","","1.12","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301595","19.211","0.004","23.405","0.005","28.373","0.006","90","","90","","90","","12757","5","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H108 I N2 P4 U -","- C52 H80 I N2 P4 U -","- C416 H640 I8 N16 P32 U8 -","8","1","","Thibault Cantat; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","What a Difference a 5f Element Makes: Trivalent and Tetravalent Uranium Halide Complexes Supported by One and Two Bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) Ligands","Inorganic Chemistry","2009","48","","2114","2127","10.1021/ic802061x","","","0.71073","MoKα","","0.0991","0.0486","","","0.0935","0.107","","","","","","0.888","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301635","12.5951","0.0016","19.079","0.002","32.223","0.004","90","","90","","90","","7743.2","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H49 N2 Ni S -","- C45 H49 N2 Ni S -","- C360 H392 N16 Ni8 S8 -","8","1","","Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes","Inorganic Chemistry","2009","48","","2215","2223","10.1021/ic802276w","","","0.7107","MoKα","","0.0659","0.0567","","","0.1346","0.1403","","","","","","1.122","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4301645","10.3063","0.0013","7.986","0.001","11.5458","0.0015","90","","90","","90","","950.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Silver(I) nitrosodicyanmethanide, Ag(CCO)","Nitrosodicyanmethanide of Silver(I)","","- C3 Ag N3 O -","- C3 Ag N3 O -","- C24 Ag8 N24 O8 -","8","1","","Garrett Glover; Nikolay Gerasimchuk; Richard Biagioni; Konstantin V. Domasevitch","Monovalent K, Cs, Tl, and Ag Nitrosodicyanomethanides: Completely Different 3D Networks with Useful Properties of Luminescent Materials and Nonelectric Sensors for Gases","Inorganic Chemistry","2009","48","","2371","2382","10.1021/ic801364w","","","0.71073","MoKα","","0.0245","0.0237","","","0.0591","0.0596","","","","","","1.089","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301660","17.9476","0.0005","15.84","0.0005","19.1365","0.0006","90","","90","","90","","5440.3","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H31 F6 N3 P2 -","- C25 H31 F6 N3 P2 -","- C200 H248 F48 N24 P16 -","8","1","","Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith","Intramolecular Hydrogen-Bonded Tertiary Phosphines as 1,3,5-Triaza-7-phosphaadamantane (PTA) Analogues","Inorganic Chemistry","2009","48","","2633","2638","10.1021/ic801709z","","","0.71073","MoKα","","0.0494","0.0377","","","0.1","0.1091","","","","","","1.02","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301668","23.0657","0.0011","21.0954","0.001","32.2509","0.0015","90","","90","","90","","15692.6","1.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H130 Ge2 N2 Sn2 -","- C84 H130 Ge2 N2 Sn2 -","- C672 H1040 Ge16 N16 Sn16 -","8","1","","Xinping Wang; Chengbao Ni; Zhongliang Zhu; James C. Fettinger; Philip P. Power","N-H and N=C Bond Formation via Germanium(III) Diradicaloid Intermediates and C-S Bond Cleavage in Reactions of the Digermyne Ar'GeGeAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Azides","Inorganic Chemistry","2009","48","","2464","2470","10.1021/ic801713v","","","0.71073","MoKα","","0.0655","0.0334","","","0.0669","0.0736","","","","","","1.011","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4301675","16.149","0.005","17.085","0.004","25.497","0.006","90","","90","","90","","7035","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[SiPiPr3]CoCl","","","- C36 H54 Cl Co P3 Si -","- C36 H54 Cl Co P3 Si -","- C288 H432 Cl8 Co8 P24 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1014","0.0546","","","0.0877","0.0955","","","","","","1.308","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301682","15.98","0.02","17.151","0.012","25.95","0.02","90","","90","","90","","7112","12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[SiPiPr3]Ir(N2)","","","- C36 H54 Ir N2 P3 Si -","- C36 H54 Ir N2 P3 Si -","- C288 H432 Ir8 N16 P24 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1192","0.0496","","","0.0767","0.0878","","","","","","1.21","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301683","22.7568","0.0007","16.8912","0.0005","26.773","0.0008","90","","90","","90","","10291.3","0.5","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[SiP3]Fe(OTf)","","","- C59 H50 F3 Fe O3 P3 S Si -","- C59 H50 F3 Fe O4 P3 S Si -","- C472 H400 F24 Fe8 O32 P24 S8 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.0598","0.0446","","","0.1106","0.1229","","","","","","1.043","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4301684","16.13","0.02","17.05","0.014","25.54","0.02","90","","90","","90","","7024","12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[SiPiPr3]Co(CO)","","","- C37 H54 Co O P3 Si -","- C37 H54 Co O P3 Si -","- C296 H432 Co8 O8 P24 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1881","0.0707","","","0.115","0.1353","","","","","","1.096","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301700","14.0819","0.0009","14.7967","0.0008","16.8374","0.0008","90","","90","","90","","3508.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Ir2 Zr2 -","- C40 H4 Ir2 Zr2 -","- C160 H16 Ir8 Zr8 -","4","0.5","","Masataka Oishi; Hiroharu Suzuki","Zirconocene-Iridium Hydrido Complexes: Arene Carbon-Hydrogen Bond Activation and Formation of a Planar Square Zr2Ir2 Complex","Inorganic Chemistry","2009","48","","2349","2351","10.1021/ic8020113","","","0.77","","","0.0395","0.036","","","0.0839","0.0858","","","","","","0.886","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301765","14.0098","0.0016","16.2434","0.0018","38.914","0.004","90","","90","","90","","8855.5","1.7","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C17 H37 Br2 Ni P2 -","- C17 H37 Br2 Ni P2 -","- C272 H592 Br32 Ni16 P32 -","16","2","","Annie Castonguay; André L. Beauchamp; Davit Zargarian","New Derivatives of PCP-Type Pincer Complexes of Nickel","Inorganic Chemistry","2009","48","","3177","3184","10.1021/ic801641u","","","1.54178","CuKα","","0.052","0.0328","","","0.0757","0.0812","","","","","","0.963","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301766","23.6525","0.0013","14.4554","0.0009","27.611","0.0016","90","","90","","90","","9440.4","1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C34 H76 Br4 Ni2 P4 -","- C34 H76 Br4 Ni2 P4 -","- C272 H608 Br32 Ni16 P32 -","8","1","","Annie Castonguay; André L. Beauchamp; Davit Zargarian","New Derivatives of PCP-Type Pincer Complexes of Nickel","Inorganic Chemistry","2009","48","","3177","3184","10.1021/ic801641u","","","1.54178","CuKα","","0.0704","0.0615","","","0.1303","0.136","","","","","","1.079","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301801","9.7687","0.0006","20.6825","0.0013","27.084","0.002","90","","90","","90","","5472.1","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Fe N8 -","- C33 H33 Fe N8 -","- C264 H264 Fe8 N64 -","8","1","","Priyabrata Banerjee; Anna Company; Thomas Weyhermüller; Eckhard Bill; Corinna R. Hess","Zn and Fe Complexes Containing a Redox Active Macrocyclic Biquinazoline Ligand","Inorganic Chemistry","2009","48","","2944","2955","10.1021/ic8020172","","","0.71073","MoKα","","0.092","0.0396","","","0.085","0.1208","","","","","","1.185","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301835","17.203","0.003","17.277","0.003","23.12","0.004","90","","90","","90","","6872","2","160","2","446","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mg(BMP)2(H-TMG)2] (5)","","","- C32 H56 Mg N6 O2 -","- C32 H56 Mg N6 O2 -","- C256 H448 Mg8 N48 O16 -","8","1","","Jessie D. Monegan; Scott D. Bunge","Structurally Characterized 1,1,3,3-Tetramethylguanidine Solvated Magnesium Aryloxide Complexes: [Mg(μ-OEt)(DBP)(H-TMG)]2, [Mg(μ-OBc)(DBP)(H-TMG)]2, [Mg(μ-TMBA)(DBP)(H-TMG)]2, [Mg(μ-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2(H-TMG)2]","Inorganic Chemistry","2009","48","","3248","3256","10.1021/ic8022776","","","0.71073","MoKα","","0.119","0.0533","","","0.1348","0.1707","","","","","","0.873","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301847","21.857","0.01","13.872","0.007","23.06","0.011","90","","90","","90","","6992","6","301","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 N5 O5 Ru -","- C30 H38 N5 O5 Ru -","- C240 H304 N40 O40 Ru8 -","8","1","","Hoi-Ki Kwong; Wai-Lun Man; Jing Xiang; Wing-Tak Wong; Tai-Chu Lau","Reaction of a (Salen)ruthenium(VI) Nitrido Complex with Isocyanide","Inorganic Chemistry","2009","48","","3080","3086","10.1021/ic802338f","","","0.71073","MoKα","","","0.0573","","","","0.0706","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301910","12.057","0.004","18.138","0.006","30.404","0.009","90","","90","","90","","6649","4","143","","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H80 N16 P2 U2 -","- C66 H80 N16 P2 U2 -","- C264 H320 N64 P8 U8 -","4","0.5","","Jeffrey D. Rinehart; T. David Harris; Stosh A. Kozimor; Bart M. Bartlett; Jeffrey R. Long","Magnetic Exchange Coupling in Actinide-Containing Molecules","Inorganic Chemistry","2009","48","","3382","3395","10.1021/ic801303w","","","0.71073","MoKα","","0.0889","0.0407","","","0.0768","0.0905","","","","","","1.002","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4301935","20.501","0.002","28.784","0.003","20.369","0.003","90","","90","","90","","12020","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H72 Cl18 N2 W6 -","- C32 H72 Cl18 N2 W6 -","- C256 H576 Cl144 N16 W48 -","8","1","","Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer","Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion","Inorganic Chemistry","2009","48","","3825","3831","10.1021/ic8019843","","","0.71073","MoKα","","0.1464","0.0632","","","0.1604","0.1785","","","","","","0.853","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302039","13.8998","0.0008","16.889","0.0009","19.2726","0.001","90","","90","","90","","4524.3","0.4","128","2","128","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Br2 Cu N2 -","- C24 H24 Br2 Cu N2 -","- C192 H192 Br16 Cu8 N16 -","8","1","","Sibaprasad Bhattacharyya; Aurora E. Clark; Maren Pink; Jeffrey M. Zaleski","Structure Modulated Electronic Contributions to Metalloenediyne Reactivity: Synthesis and Thermal Bergman Cyclization of MLX2 Compounds","Inorganic Chemistry","2009","48","","3916","3925","10.1021/ic801116q","","","0.71073","MoKα","","0.0495","0.0292","","","0.0644","0.0728","","","","","","1.011","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302091","16.081","0.0004","16.8673","0.0004","35.3301","0.0008","90","","90","","90","","9583","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H78 B2 Li N2 O6 Y -","- C40 H78 B2 Li N2 O6 Y -","- C320 H624 B16 Li8 N16 O48 Y8 -","8","1","","Tatyana V. Mahrova; Georgy K. Fukin; Anton V. Cherkasov; Alexander A. Trifonov; Noureddine Ajellal; Jean-François Carpentier","Yttrium Complexes Supported by Linked Bis(amide) Ligand: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of Cyclic Esters","Inorganic Chemistry","2009","48","","4258","4266","10.1021/ic802427f","","","0.71073","MoKα","","0.0909","0.0474","","","0.1099","0.1219","","","","","","1.013","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302140","30.522","0.009","19.523","0.006","35.204","0.01","90","","90","","90","","20977","11","173.1","","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C76 H154 Co2 Fe8 N4 O3 S7 Si8 -","- C76 H154 Co2 Fe8 N4 O3 S7 Si8 -","- C608 H1232 Co16 Fe64 N32 O24 S56 Si64 -","8","1","","Yasuhiro Ohki; Ayuro Murata; Motosuke Imada; Kazuyuki Tatsumi","C-H Bond Activation of Decamethylcobaltocene Mediated by a Nitrogenase Fe8S7P-Cluster Model","Inorganic Chemistry","2009","48","","4271","4273","10.1021/ic900284f","","","0.7107","MoKα","","","0.0809","","","","0.1804","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302168","12.6897","0.0009","8.6978","0.0006","15.9901","0.0011","90","","90","","90","","1764.9","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Mn N5 O2 -","- C7 H7 Mn N5 O2 -","- C56 H56 Mn8 N40 O16 -","8","1","","Zi-Lu Chen; Chun-Fang Jiang; Wei-Hong Yan; Fu-Pei Liang; Stuart R. Batten","Three-Dimensional Metal Azide Coordination Polymers with Amino Carboxylate Coligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2009","48","","4674","4684","10.1021/ic802026n","","","0.71073","MoKα","","0.0256","0.0242","","","0.0655","0.0668","","","","","","1.043","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302172","10.261","0.004","25.833","0.011","35.119","0.015","90","","90","","90","","9309","7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H68 Ce Fe N2 O4 -","- C48 H68 Ce Fe N2 O4 -","- C384 H544 Ce8 Fe8 N16 O32 -","8","1","","Erin M. Broderick; Paula L. Diaconescu","Cerium(IV) Catalysts for the Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2009","48","","4701","4706","10.1021/ic802047u","","","0.71073","MoKα","","0.0749","0.0489","","","0.0832","0.0898","","","","","","1.137","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302214","8.7634","0.0014","18.041","0.003","21.515","0.004","90","","90","","90","","3401.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu2{L(OH)}(N3)][ClO4] (3)","","","- C13 H16 Cl Cu2 N5 O7 -","- C13 H15 Cl Cu2 N5 O7 -","- C104 H120 Cl8 Cu16 N40 O56 -","8","1","","Santokh Singh Tandon; Scott D. Bunge; Douglas Motry; José Sánchez Costa; Guillem Aromí; Jan Reedijk; Laurence K. Thompson","Copper Coordination Polymers Based on Single-Chain or Sheet Structures Involving Dinuclear and Tetranuclear Copper(II) Units: Synthesis, Structures, and Magnetostructural Correlations","Inorganic Chemistry","2009","48","","4873","4881","10.1021/ic900240y","","","0.71073","MoKα","","0.0952","0.0508","","","0.1281","0.1544","","","","","","0.927","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4302249","7.2026","0.0003","12.0375","0.0005","23.2951","0.0008","90","","90","","90","","2019.72","0.14","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl2 N2 Ti -","- C8 H8 Cl2 N2 Ti -","- C64 H64 Cl16 N16 Ti8 -","8","1","","Irfan Saeed; Shohei Katao; Kotohiro Nomura","Synthesis and Structural Analysis of Half-Titanocenes Containing η2-Pyrazolato Ligands, and Their Use in Catalysis for Ethylene Polymerization","Inorganic Chemistry","2009","48","","5011","5020","10.1021/ic9004246","","","0.71075","MoKα","","","0.0293","","","","0.0971","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302477","14.691","0.002","27.326","0.003","30.466","0.005","90","","90","","90","","12230","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Fe N4 -","- C33 H46 Fe N4 -","- C528 H736 Fe16 N64 -","16","2","","Amanda C. Bowman; Suzanne C. Bart; Frank W. Heinemann; Karsten Meyer; Paul J. Chirik","Synthesis of Bis(imino)pyridine Iron Amide and Ammonia Compounds from an N-H Transfer Agent","Inorganic Chemistry","2009","48","","5587","5589","10.1021/ic9003017","","","0.71073","MoKα","","0.0735","0.0491","","","0.0981","0.108","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4302502","13.5219","0.0019","13.664","0.002","17.597","0.003","90","","90","","90","","3251.3","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl-tris(trifluoromethyl)phosphonium undecafluorodiantimonate","","- C4 H3 F20 P Sb2 -","- C4 H3 F20 P Sb2 -","- C32 H24 F160 P8 Sb16 -","8","1","","Oleg Shyshkov; Uwe Dieckbreder; Thomas Drews; Alexander Kolomeitsev; Gerd-Volker Röschenthaler; Konrad Seppelt","The Tris(trifluoromethyl)methyl Phosphonium Ion, P(CF3)3CH3+, Preparation and Structure","Inorganic Chemistry","2009","48","","6083","6085","10.1021/ic900414q","","","0.71073","MoKα","","0.058","0.0314","","","0.0608","0.0728","","","","","","1.044","","","","has coordinates","287930","2023-12-01","12:26:56",""
"4302620","15.5239","0.0016","16.0613","0.0017","17.2322","0.0019","90","","90","","90","","4296.6","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((5-AgCC)-Pm)(3AgCF3CO2)(3H2O)","","","- C12 H3 Ag4 F9 N2 O9 -","- C12 H3 Ag4 F9 N2 O9 -","- C96 H24 Ag32 F72 N16 O72 -","8","1","","Liang Zhao; Thomas C. W. Mak","Assembly of Silver(I) Two- and Three-Dimensional Coordination Networks with Complementary Tridentate Heteroaryl Ethynide Ligands","Inorganic Chemistry","2009","48","","6480","6489","10.1021/ic900346p","","","0.71073","MoKα","","0.0428","0.0319","","","0.0802","0.0863","","","","","","1.056","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302627","7.726","0.003","10.277","0.005","18.324","0.009","90","","90","","90","","1454.9","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H4 O4 Pb -","- C8 H4 O4 Pb -","- C64 H32 O32 Pb8 -","8","1","","Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao","Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D","Inorganic Chemistry","2009","48","","6517","6525","10.1021/ic900425r","","","0.71073","MoKα","","0.0491","0.0375","","","0.0924","0.1004","","","","","","1.048","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302637","16.3283","0.0005","14.5755","0.0005","21.4963","0.0006","90","","90","","90","","5116","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 B5 Cl2 W2 -","- C20 H36 B5 Cl2 W2 -","- C160 H288 B40 Cl16 W16 -","8","1","","Satyanarayan Sahoo; K. Hari Krishna Reddy; Rajendra S. Dhayal; Shaikh M. Mobin; V. Ramkumar; E. D. Jemmis; Sundargopal Ghosh","Chlorinated Hypoelectronic Dimetallaborane Clusters: Synthesis, Characterization, and Electronic Structures of (η5-C5Me5W)2B5HnClm (n= 7,m= 2 and n= 8,m= 1)","Inorganic Chemistry","2009","48","","6509","6516","10.1021/ic900467d","","","0.71073","MoKα","","0.0574","0.0324","","","0.0697","0.0799","","","","","","1.043","","","","has coordinates,has disorder","179064","2020-10-21","18:00:00",""
"4302639","10.0077","","11.921","","5.5978","","90","","90","","90","","667.828","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","?","- F32 Tc8 -","- F32 Tc8 -","","","","Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium(IV) Halides Predicted from First-Principles","Inorganic Chemistry","2009","48","","6555","6558","10.1021/ic900476m","","","","","","","","","","","","","","","","","","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302640","12.1484","","14.6823","","6.2895","","90","","90","","90","","1121.84","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","?","- Cl32 Tc8 -","- Cl32 Tc8 -","","","","Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium(IV) Halides Predicted from First-Principles","Inorganic Chemistry","2009","48","","6555","6558","10.1021/ic900476m","","","","","","","","","","","","","","","","","","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302641","12.8204","","15.2492","","6.5327","","90","","90","","90","","1277.15","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","?","- Br32 Tc8 -","- Br32 Tc8 -","","","","Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium(IV) Halides Predicted from First-Principles","Inorganic Chemistry","2009","48","","6555","6558","10.1021/ic900476m","","","","","","","","","","","","","","","","","","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302890","22.2269","0.0008","24.5812","0.0009","25.0002","0.0009","90","","90","","90","","13659.2","0.9","298","2","298","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Tetrabutylammonium tetrathiocyanato nickalate(II)","Tetrabutylammonium tetrathiocyanato nickalate(II)","","- C53 H108 N8 Ni S5 -","- C53 H108 N8 Ni S5 -","- C424 H864 N64 Ni8 S40 -","8","1","","T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter","Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds","Inorganic Chemistry","2009","48","","7650","7658","10.1021/ic802120n","","","0.71073","MoKα","","0.1445","0.0615","","","0.1527","0.2003","","","","","","1.196","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302891","22.0901","0.0009","23.9105","0.001","25.0473","0.001","90","","90","","90","","13229.6","0.9","398","2","200","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Tetrabutylammonium tetrathiocyanato nickalate(II)","Tetrabutylammonium tetrathiocyanato nickalate(II)","","- C53 H108 N8 Ni S5 -","- C53 H108 N8 Ni S5 -","- C424 H864 N64 Ni8 S40 -","8","1","","T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter","Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds","Inorganic Chemistry","2009","48","","7650","7658","10.1021/ic802120n","","","0.71073","MoKα","","0.1037","0.051","","","0.112","0.136","","","","","","1.313","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4302950","21.528","0.0005","22.6636","0.0005","26.1787","0.0006","90","","90","","90","","12772.6","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H50 N2 O3 P2 W -","- C27 H50 N2 O3 P2 W -","- C432 H800 N32 O48 P32 W16 -","16","2","","Patrick Achord; Etsuko Fujita; James T. Muckerman; Brian Scott; George C. Fortman; Manuel Temprado; Xiaochen Cai; Burjor Captain; Derek Isrow; John J. Weir; James Eric McDonough; Carl D. Hoff","Experimental and Computational Studies of Binding of Dinitrogen, Nitriles, Azides, Diazoalkanes, Pyridine, and Pyrazines to M(PR3)2(CO)3 (M = Mo, W; R = Me,iPr).","Inorganic Chemistry","2009","48","","7891","7904","10.1021/ic900764e","","","0.71073","MoKα","","0.0479","0.0269","","","0.0878","0.1134","","","","","","1.002","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302960","20.418","0.01","15.992","0.007","25.061","0.012","90","","90","","90","","8183","7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Ge O2 -","- C22 H30 Ge O2 -","- C352 H480 Ge16 O32 -","16","2","","Rebecca A. Green; Curtis Moore; Arnold L. Rheingold; Charles S. Weinert","Formation and Structures of Germanium(II) Aryloxo/Oxo Clusters","Inorganic Chemistry","2009","48","","7510","7512","10.1021/ic900915q","","","0.71073","MoKα","","0.0617","0.0355","","","0.078","0.0906","","","","","","1.031","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4303043","10.44","0.0001","12.1821","0.0001","40.1946","0.0005","90","","90","","90","","5111.99","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C256 H192 N64 -","16","2","","Brendan J. Liddle; Daniel Hall; Sergey V. Lindeman; Mark D. Smith; James R. Gardinier","Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-N-pyrazolylorganyls","Inorganic Chemistry","2009","48","","8404","8414","10.1021/ic900982m","","","1.54178","CuKα","","0.0378","0.0344","","","0.0869","0.0892","","","","","","1.004","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303057","10.314","0.002","15.819","0.003","30.975","0.006","90","","90","","90","","5053.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl2 Cu O11 S3 -","- C20 H26 Cl2 Cu O11 S3 -","- C160 H208 Cl16 Cu8 O88 S24 -","8","1","","Minhye Jo; Joobeom Seo; Moo Lyong Seo; Kyu Seong Choi; Seong Keuck Cha; Leonard F. Lindoy; Shim Sung Lee","Donor-Set-Induced Coordination Sphere and Oxidation-State Switching in the Copper Complexes of O2S2X (X = S, O and NH) Macrocycles","Inorganic Chemistry","2009","48","","8186","8191","10.1021/ic901009r","","","0.85","synchrotron","","0.0608","0.0594","","","0.1664","0.1674","","","","","","1.108","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303087","24.7376","0.0014","19.1647","0.0011","27.0246","0.0016","90","","90","","90","","12812.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(OTf)Ag(CNArDipp2)2","","","- C63 H74 Ag F3 N2 O3 S -","- C63 H74 Ag F3 N2 O3 S -","- C504 H592 Ag8 F24 N16 O24 S8 -","8","1","","Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides","Inorganic Chemistry","2009","48","","8362","8375","10.1021/ic9010828","","","0.71073","MoKα","","0.0873","0.0686","","","0.1829","0.195","","","","","","1.062","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4303101","11.4824","0.0001","17.2116","0.0003","29.8556","0.0006","90","","90","","90","","5900.38","0.17","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H70 N6 O14 U2 -","- C58 H70 N6 O14 U2 -","- C232 H280 N24 O56 U8 -","4","0.5","","Massimo Cametti; Laura Ilander; Kari Rissanen","Recognition of Li+ by a Salophen-UO2 Homodimeric Complex","Inorganic Chemistry","2009","48","","8632","8637","10.1021/ic901136b","","x-ray","0.71073","MoKα","","0.1505","0.0732","","","0.1125","0.135","","","","","","1.027","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303132","17.9807","0.0002","9.3344","0.0001","33.406","0.0004","90","","90","","90","","5606.83","0.11","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F6 N12 O7 Pt S2 -","- C12 H30 F6 N12 O7 Pt S2 -","- C96 H240 F48 N96 O56 Pt8 S16 -","8","1","","Alexander G. Tskhovrebov; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Different Routes for Amination of Platinum(II)-Bound Cyanoguanidine","Inorganic Chemistry","2009","48","","8678","8688","10.1021/ic900263e","","","0.71073","MoKα","","0.062","0.0397","","","0.0848","0.0958","","","","","","1.026","","","","has coordinates,has disorder","179069","2020-10-21","18:00:00",""
"4303140","10.8513","0.0003","12.9419","0.0004","15.6976","0.0005","90","","90","","90","","2204.52","0.12","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cu N2 O4 Re -","- C10 H8 Cu N2 O4 Re -","- C80 H64 Cu8 N16 O32 Re8 -","8","1","","Haisheng Lin; Paul A. Maggard","Ligand-Mediated Interconversion of Multiply-Interpenetrating Frameworks in CuI/ReVII-Oxide Hybrids","Inorganic Chemistry","2009","48","","8940","8946","10.1021/ic900735n","","","0.71073","MolybdenumKα","","0.067","0.058","","0.067","","0.067","","","","","","1.88","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4303155","19.8088","0.0002","19.3467","0.0002","20.2052","0.0002","90","","90","","90","","7743.34","0.14","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H68 Br4 Cu4 P4 S4 Sn -","- C76 H68 Br4 Cu4 P4 S4 Sn -","- C304 H272 Br16 Cu16 P16 S16 Sn4 -","4","0.5","","Yan-Gong Han; Chao Xu; Taike Duan; Fang-Hui Wu; Qian-Feng Zhang; Wa-Hung Leung","Heterometallic Aggregates of Copper(I) with Metalloligand Sn(edt)2 (edt = ethane-1,2-dithiolate): Syntheses and Structures of [Sn(edt)2Cl(μ-I)(μ3-I)(CuPPh3)3], [Sn(edt)2(μ-Br)2(μ3-Br)2(CuPPh3)4], and [{Sn(edt)2}3(μ-OH)3Cu5(PPh3)8][PF6]2","Inorganic Chemistry","2009","48","","8796","8802","10.1021/ic9009515","","","0.71073","MoKα","","0.0583","0.0369","","","0.0622","0.0768","","","","","","0.987","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303161","9.5559","0.0017","8.027","0.0011","14.798","0.003","90","","90","","90","","1135.1","0.3","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N6 -","- C10 H12 N6 -","- C40 H48 N24 -","4","0.5","","Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto","Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine","Inorganic Chemistry","2009","48","","8784","8795","10.1021/ic900977m","","","0.71075","MoKα","","","0.0721","","","","0.2623","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303183","11.432","0.004","19.935","0.007","30.932","0.01","90","","90","","90","","7049","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H59 Mn N4 Na -","- C34 H59 Mn N4 Na -","- C272 H472 Mn8 N32 Na8 -","8","1","","Victoria L. Blair; William Clegg; Robert E. Mulvey; Luca Russo","Alkali-Metal-Mediated Manganation(II) of Naphthalenes: Constructing Metalla-Anthracene and Metalla-Phenanthrene Structures","Inorganic Chemistry","2009","48","","8863","8870","10.1021/ic901068w","","","0.71073","MoKα","","0.1196","0.0786","","","0.199","0.238","","","","","","1.027","","","","has coordinates,has disorder","179069","2020-10-21","18:00:00",""
"4303249","9.7286","0.0003","17.2483","0.0005","36.432","0.0011","90","","90","","90","","6113.4","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H31 Cl2 Hg N5 O8 S -","- C28 H31 Cl2 Hg N5 O8 S -","- C224 H248 Cl16 Hg8 N40 O64 S8 -","8","1","","Marta Mameli; M. Carla Aragoni; Massimiliano Arca; Marta Atzori; Andrea Bencini; Carla Bazzicalupi; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Alessandra Garau; Michael B. Hursthouse; Francesco Isaia; Vito Lippolis; Barbara Valtancoli","Synthesis and Coordination Properties of Quinoline Pendant Arm Derivatives of [9]aneN3 and [9]aneN2S as Fluorescent Zinc Sensors","Inorganic Chemistry","2009","48","","9236","9249","10.1021/ic901012w","","","0.71073","MoKα","","0.0653","0.0512","","","0.101","0.11","","","","","","0.999","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303287","13.2839","0.0012","13.4258","0.0012","19.9942","0.0018","90","","90","","90","","3565.9","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H26 B18 Ni -","- C6 H26 B18 Ni -","- C48 H208 B144 Ni8 -","8","1","","Robert D. Kennedy; Carolyn B. Knobler; M. Frederick Hawthorne","Toward Unidirectional Rotary Motion in Nickelacarboranes: Characterization of Diastereomeric Nickel Bis(Dicarbollide) Complexes Derived from the [Nido-7-CH3-7,8-C2B9H11]- Anion","Inorganic Chemistry","2009","48","","9377","9384","10.1021/ic901175e","","","0.71073","MoKα","","0.0288","0.0251","","","0.0719","0.0742","","","","","","1.092","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303363","18.7678","0.0006","16.9665","0.0006","21.6485","0.0008","90","","90","","90","","6893.4","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","A","","","- C40 H30 Cl N O2 P2 Pt -","- C40 H30 Cl N O2 P2 Pt -","- C320 H240 Cl8 N8 O16 P16 Pt8 -","8","1","","Jian Hu; Huan Xu; Minh-Hai Nguyen; John H. K. Yip","Photooxidation of a Platinum-Anthracene Pincer Complex: Formation and Structures of PtII-Anthrone and -Ketal Complexes","Inorganic Chemistry","2009","48","","9684","9692","10.1021/ic900479w","","","0.71073","MoKα","","0.0489","0.0404","","","0.0934","0.0961","","","","","","1.236","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303381","18.52","0.002","20.284","0.003","25.347","0.003","90","","90","","90","","9522","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H31 K N2 Si -","- C22 H31 K N2 Si -","- C352 H496 K16 N32 Si16 -","16","2","","Shuang Yao; Hoi-Shan Chan; Chi-Keung Lam; Hung Kay Lee","Synthesis, Structure, and Reaction Chemistry of Samarium(II), Europium(II), and Ytterbium(II) Complexes of the Unsymmetrical Benzamidinate Ligand [PhC(NSiMe3)(NC6H3Pri2-2,6)]-","Inorganic Chemistry","2009","48","","9936","9946","10.1021/ic901327m","","","0.71073","MoKα","","0.2676","0.0967","","","0.2103","0.3681","","","","","","1.078","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4303428","17.1871","0.0008","20.1089","0.001","23.865","0.001","90","","90","","90","","8248.1","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H10 B F15 P S2 -","- C42 H10 B F15 P S2 -","- C336 H80 B8 F120 P8 S16 -","8","1","","Meghan A. Dureen; Gregory C. Welch; Thomas M. Gilbert; Douglas W. Stephan","Heterolytic Cleavage of Disulfides by Frustrated Lewis Pairs","Inorganic Chemistry","2009","48","","9910","9917","10.1021/ic901590s","","","0.71073","MoKα","","0.1056","0.068","","","0.1767","0.1971","","","","","","1.105","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303452","11.834","0.0002","24.1107","0.0004","16.0267","0.0003","90","","90","","90","","4572.83","0.14","294","2","294","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","spiro(Butane-1,4-diamino)-[N-(1-ferrocenyl-methyl)]- 4,4,6,6-tetrachlorocyclotriphosphazatriene","","- C15 H20 Cl4 Fe N5 P3 -","- C15 H20 Cl4 Fe N5 P3 -","- C120 H160 Cl32 Fe8 N40 P24 -","8","1","","Nuran Asmafiliz; Zeynel Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç; Leyla Açik; Özgül Kisa; Ali Albay; Zafer Üstündağ; Ali Osman Solak","Phosphorus-Nitrogen Compounds. 18. Syntheses, Stereogenic Properties, Structural and Electrochemical Investigations, Biological Activities, and DNA Interactions of New Spirocyclic Mono- and Bisferrocenylphosphazene Derivatives","Inorganic Chemistry","2009","48","","10102","10116","10.1021/ic901039k","","","0.71073","MoKα","","0.0975","0.0438","","","0.1094","0.1286","","","","","","1.019","","","","has coordinates","176343","2020-10-21","18:00:00",""
"4303530","8.8582","0.0013","8.4826","0.0009","13.0291","0.0015","90","","90","","90","","979","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H N3 Pb S -","- C2 H N3 Pb S -","- C16 H8 N24 Pb8 S8 -","8","1","","Jian-Kai Cheng; Jian Zhang; Pei-Xiu Yin; Qi-Pu Lin; Zhao-Ji Li; Yuan-Gen Yao","Temperature-Controlled Syntheses of Substituted 1,2,4-Triazolelead(II) Complexes: Active Lone Pair and N-H...X (X = Cl, Br, I) Hydrogen Bonds","Inorganic Chemistry","2009","48","","9992","9994","10.1021/ic901653y","","","0.71073","MoKα","","","0.0465","","","0.1221","0.1272","","","","","","1.064","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303656","14.1762","0.0011","8.93","0.0007","19.5347","0.0015","90","","90","","90","","2473","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cesium Uranyl Phosphate","","","- Cs2 O12 P2 U2 -","- Cs2 O12 P2 U2 -","- Cs16 O96 P16 U16 -","8","1","","Jie Ling; Shijun Wu; Fanrong Chen; Antonio Simonetti; John T. Shafer; Thomas E. Albrecht-Schmitt","Does Iodate Incorporate into Layered Uranyl Phosphates Under Hydrothermal Conditions?","Inorganic Chemistry","2009","48","","10995","11001","10.1021/ic9011247","","","0.71073","MoKα","","0.0669","0.0435","","","0.1079","0.1225","","","","","","1.03","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303741","11.3441","0.0023","13.2","0.0026","15.3016","0.0031","90","","90","","90","","2291.3","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Ag N2 O4 Re -","- C10 H8 Ag N2 O4 Re -","- C80 H64 Ag8 N16 O32 Re8 -","8","1","","Haisheng Lin; Xiaomeng Wu; Paul A. Maggard","Ligand-Based Modification of the Structures and Optical Properties of New Silver(I)-Rhenate(VII) Oxide/Organic Hybrid Solids","Inorganic Chemistry","2009","48","","11265","11276","10.1021/ic901749r","","","0.7107","MoKα","","0.0741","0.0457","","","0.0972","0.1069","","","","","","0.84","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303826","13.0576","0.0012","16.9655","0.0011","20.0495","0.0018","90","","90","","90","","4441.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Br Fe N3 -","- C23 H26 Br Fe N3 -","- C184 H208 Br8 Fe8 N24 -","8","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky","Aryl-Containing Chelates and Amine Debenzylation to Afford 1,3-Di-2-pyridyl-2-azaallyl (smif): Structures of {κ-C,N,Npy2-(2-pyridylmethyl)2N(CH2(4-tBu-phenyl-2-yl))}FeBr and (smif)CrN(TMS)2","Inorganic Chemistry","2009","48","","11576","11585","10.1021/ic901329z","","","0.71073","MoKα","","0.1101","0.0501","","","0.0906","0.11","","","","","","1","","","","has coordinates,has disorder","179076","2020-10-21","18:00:00",""
"4303834","17.2249","0.0011","16.8147","0.0011","21.8935","0.0014","90","","90","","90","","6341","0.7","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67.76 H97.28 Cr3 I0.12 N3.88 -","- C67.76 H97.28 Cr3 I0.12 N3.88 -","- C271.04 H389.12 Cr12 I0.48 N15.52 -","4","0.5","","Chengbao Ni; Gary J. Long; Fernande Grandjean; Philip P. Power","Synthesis, Characterization, and Magnetism of Divalent Aryl Transition-Metal Complexes of the Simplest Dialkylamide, NMe2: Rare T-Shaped Coordination at Chromium","Inorganic Chemistry","2009","48","","11594","11600","10.1021/ic901462t","","","0.71073","MoKα","","0.0769","0.04","","","0.0987","0.1183","","","","","","1.088","","","","has coordinates,has disorder","179076","2020-10-21","18:00:00",""
"4303840","19.4769","0.0011","21.8906","0.0013","22.7715","0.0015","90","","90","","90","","9708.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H59 I2 La N8 O3 -","- C51 H57 I2 La N8 O3 -","- C408 H456 I16 La8 N64 O24 -","8","1","","Hitomi Misaki; Hiroyuki Miyake; Satoshi Shinoda; Hiroshi Tsukube","Asymmetric Twisting and Chirality Probing Properties of Quadruple-Stranded Helicates: Coordination Versatility and Chirality Response of Na+, Ca2+, and La3+ Complexes with Octadentate Cyclen Ligand","Inorganic Chemistry","2009","48","","11921","11928","10.1021/ic901496s","","","0.7107","MoKα","","0.0791","0.0722","","","0.1195","0.1215","","","","","","1.403","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303880","21.3743","0.0003","11.3697","0.0002","21.3828","0.0003","90","","90","","90","","5196.43","0.14","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 Fe N4 O3 S5 -","- C22 H17 F3 Fe N4 O3 S5 -","- C176 H136 F24 Fe8 N32 O24 S40 -","8","1","","Partha Halder; Abhishek Dey; Tapan Kanti Paine","Molecular and Electronic Structure of a Nonheme Iron(II) Model Complex Containing an Iron-Carbon Bond","Inorganic Chemistry","2009","48","","11501","11503","10.1021/ic901841w","","","0.71073","MoKα","","0.0527","0.0336","","","0.0757","0.0832","","","","","","1.03","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303882","15.556","0.002","20.523","0.003","27.394","0.003","90","","90","","90","","8746","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H43 O2 P Ru S4 -","- C50 H43 O2 P Ru S4 -","- C400 H344 O16 P8 Ru8 S32 -","8","1","","Harry Adams; Anna M. Coffey; Michael J. Morris; Sarah A. Morris","Efficient Transfer of Either One or Two Dithiolene Ligands from Nickel to Ruthenium: Synthesis and Crystal Structures of [Ru(SCR=CPhS)2(PPh3)] and [RuCl2(SCR=CPhS)(PPh3)2] (R = Ph, H)","Inorganic Chemistry","2009","48","","11945","11953","10.1021/ic9018458","","","0.71073","MoKα","","0.1411","0.0592","","","0.1281","0.1742","","","","","","1.024","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303899","11.33","0.001","17.826","0.002","31.961","0.003","90","","90","","90","","6455.1","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H42 Cl2 N3 O4 P Pd2 -","- C27 H42 Cl2 N3 O4 P Pd2 -","- C216 H336 Cl16 N24 O32 P8 Pd16 -","8","1","","Jing Zhang; Roberto Pattacini; Pierre Braunstein","Tridentate Assembling Ligands Based on Oxazoline and Phosphorus Donors in Dinuclear Pd(I)-Pd(I) Complexes","Inorganic Chemistry","2009","48","","11954","11962","10.1021/ic9018579","","x-ray","0.71069","MoKα","","0.0582","0.0342","","","0.0824","0.1004","","","","","","1.143","","","","has coordinates,has disorder","179076","2020-10-21","18:00:00",""
"4303967","25.142","0.01","13.559","0.005","28.259","0.011","90","","90","","90","","9634","6","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H63 Cl6 Ga3 O3 Si3 -","- C33 H63 Cl6 Ga3 O3 Si3 -","- C264 H504 Cl48 Ga24 O24 Si24 -","8","1","","Werner Uhl; Michael Claesener","Hydrogallation of Alkynes with H-GaCl2: Formation of Organoelement Dichlorogallium Compounds Potentially Applicable as Chelating Lewis Acids","Inorganic Chemistry","2008","47","","4463","4470","10.1021/ic700767a","","","0.71073","MoKα","","0.0939","0.051","","","0.0915","0.1026","","","","","","0.996","","","","has coordinates,has disorder","179077","2020-10-21","18:00:00",""
"4304038","14.0078","0.0003","8.8268","0.0002","31.6165","0.0007","90","","90","","90","","3909.19","0.15","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 O10 Pb2 -","- C16 H24 O10 Pb2 -","- C128 H192 O80 Pb16 -","8","1","","A. Thirumurugan; R. A. Sanguramath; C. N. R. Rao","Hybrid Structures Formed by Lead 1,3-Cyclohexanedicarboxylates","Inorganic Chemistry","2008","47","","823","831","10.1021/ic701323q","","","0.71073","MoKα","","0.0321","0.0282","","","0.0688","0.0701","","","","","","1.309","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304115","15.823","0.003","14.668","0.003","26.703","0.005","90","","90","","90","","6198","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44 Mo N4 O2 -","- C32 H44 Mo N4 O2 -","- C256 H352 Mo8 N32 O16 -","8","1","","Ganna Lyashenko; Regine Herbst-Irmer; Vojtech Jancik; Aritra Pal; Nadia C. Mösch-Zanetti","Molybdenum Oxo and Imido Complexes of β-Diketiminate Ligands: Synthesis and Structural Aspects","Inorganic Chemistry","2008","47","","113","120","10.1021/ic701534a","","","1.54178","CuKα","","0.0355","0.03","","","0.0769","0.0798","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304186","21.657","0.008","19.805","0.007","22.505","0.008","90","","90","","90","","9653","6","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H72 Fe N5 Na O3 -","- C45 H72 Fe N5 Na O3 -","- C360 H576 Fe8 N40 Na8 O24 -","8","1","","Jennifer Scott; Indu Vidyaratne; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Multiple Pathways for Dinitrogen Activation during the Reduction of an Fe Bis(iminepyridine) Complex","Inorganic Chemistry","2008","47","","896","911","10.1021/ic701643d","","","0.71073","MoKα","","0.103","0.0591","","","0.1445","0.1834","","","","","","1.067","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304200","13.8183","0.0006","13.5374","0.0007","25.9622","0.0012","90","","90","","90","","4856.6","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cu2 N2 O11 -","- C20 H34 Cu2 N2 O11 -","- C160 H272 Cu16 N16 O88 -","8","1","","Alexander M. Kirillov; Yauhen Y. Karabach; Matti Haukka; M. Fátima C. Guedes da Silva; Joaquin Sanchiz; Maximilian N. Kopylovich; Armando J. L. Pombeiro","Self-Assembled Copper(II) Coordination Polymers Derived from Aminopolyalcohols and Benzenepolycarboxylates: Structural and Magnetic Properties","Inorganic Chemistry","2008","47","","162","175","10.1021/ic701669x","","","0.71069","MoKα","","0.0436","0.0301","","","0.0658","0.0696","","","","","","0.981","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304247","10.678","0.002","18.222","0.004","44.127","0.009","90","","90","","90","","8586","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H72 Al2 Ni O10 -","- C30 H72 Al2 Ni O10 -","- C240 H576 Al16 Ni8 O80 -","8","1","","Michael Veith; Kroum Valtchev; Volker Huch","Tetraalkoxyaluminates of Nickel(II), Copper(II), and Copper(I)","Inorganic Chemistry","2008","47","","1204","1217","10.1021/ic701729y","","","0.71073","MoKα","","0.0809","0.0588","","","0.1445","0.1612","","","","","","1.045","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304275","15.2168","0.0007","17.4383","0.0008","13.3083","0.0007","90","","90","","90","","3531.4","0.3","100","0.1","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N10 Ni O -","- C15 H18 N10 Ni O -","- C120 H144 N80 Ni8 O8 -","8","1","","Mohammad Habib; Tapan K. Karmakar; Guillem Aromí; Jordi Ribas-Ariño; Hoong-Kun Fun; Suchada Chantrapromma; Swapan K. Chandra","A Versatile Series of Nickel(II) Complexes Derived from Tetradentate Imine/Pyridyl Ligands and Various Pseudohalides: Azide and Cyanate Compared","Inorganic Chemistry","2008","47","","4109","4117","10.1021/ic701754u","","","0.71073","MoKα","","0.0691","0.0359","","","0.0822","0.1079","","","","","","1.091","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304351","19.127","0.004","13.562","0.003","37.528","0.007","90","","90","","90","","9735","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H60 Br2 N2 O P2 -","- C50 H60 Br2 N2 O P2 -","- C400 H480 Br16 N16 O8 P16 -","8","1","","Pei-Ying Lee; Lan-Chang Liang","Nickel(II) Complexes Containing Bidentate Amido Phosphine Ligands Derived from α-Iminophosphorus Ylides: Synthesis and Structural Characterization","Inorganic Chemistry","2008","47","","749","758","10.1021/ic701836j","","","0.71073","MoKα","","0.122","0.0526","","","0.1438","0.1676","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304371","15.4224","0.0003","14.2346","0.0003","16.4724","0.0004","90","","90","","90","","3616.21","0.14","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H23 Cl N O3 Rh -","- C18 H23 Cl N O3 Rh -","- C144 H184 Cl8 N8 O24 Rh8 -","8","1","","Aaron M. Royer; Thomas B. Rauchfuss; Scott R. Wilson","Coordination Chemistry of a Model for the GP Cofactor in the Hmd Hydrogenase: Hydrogen-Bonding and Hydrogen-Transfer Catalysis","Inorganic Chemistry","2008","47","","395","397","10.1021/ic7018692","","","0.71073","MoKα","","0.0478","0.0251","","","0.0537","0.0643","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304405","15.2111","0.0002","12.8651","0.0002","22.0324","0.0003","90","","90","","90","","4311.57","0.11","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[ReO3(tpzm*)]","(Tris((3,5-dimethyl)pyrazol-1-yl)methan)-trioxo-rhenium(VII) perrhenat","","- C16 H22 N6 O7 Re2 -","- C16 H22 N6 O7 Re2 -","- C128 H176 N48 O56 Re16 -","8","1","","Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto","High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities","Inorganic Chemistry","2008","47","","257","264","10.1021/ic701908q","","","0.71073","MoKα","","0.0643","0.0258","","","0.0522","0.0836","","","","","","1.191","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4304408","18.9549","0.0006","19.1661","0.0006","21.8341","0.0007","90","","90","","90","","7932.1","0.4","218","2","218","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H54 F3 N O5 S Si W -","- C33 H54 F3 N O5 S Si W -","- C264 H432 F24 N8 O40 S8 Si8 W8 -","8","1","","Zachary J. Tonzetich; Richard R. Schrock; Keith M. Wampler; Brad C. Bailey; Christopher C. Cummins; Peter Müller","A Tungsten(VI) Nitride Having a W2(μ-N)2 Core","Inorganic Chemistry","2008","47","","1560","1567","10.1021/ic701913q","","","0.71073","MoKα","","0.0413","0.0235","","","0.0528","0.063","","","","","","1.069","","","","has coordinates,has disorder","179082","2020-10-21","18:00:00",""
"4304422","13.3548","0.0006","17.9752","0.0007","23.1855","0.001","90","","90","","90","","5565.8","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H70 N4 Ni2 O12 V2 -","- C58 H70 N4 Ni2 O12 V2 -","- C232 H280 N16 Ni8 O48 V8 -","4","0.5","","Debdas Mandal; Pabitra Baran Chatterjee; Rakesh Ganguly; Edward R. T. Tiekink; Rodolphe Clérac; Muktimoy Chaudhury","Tetra- and Dinuclear Nickel(II)-Vanadium(IV/V) Heterometal Complexes of a Phenol-Based N2O2 Ligand: Synthesis, Structures, and Magnetic and Redox Properties","Inorganic Chemistry","2008","47","","584","591","10.1021/ic701925j","","","0.71069","MoKα","","0.095","0.069","","","0.149","0.162","","","","","","1.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304450","7.137","0.0005","16.3529","0.0012","30.754","0.002","90","","90","","90","","3589.3","0.4","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N5 -","- C20 H23 N5 -","- C160 H184 N40 -","8","1","","Joe B. Gilroy; Peter O. Otieno; Michael J. Ferguson; Robert McDonald; Robin G. Hicks","Synthesis and Characterization of 3-Cyano- and 3-Nitroformazans, Nitrogen-Rich Analogues of β-Diketimine Ligands","Inorganic Chemistry","2008","47","","1279","1286","10.1021/ic7019445","","","0.71073","MoKα","","0.0726","0.0466","","","0.1299","0.1547","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304468","14.816","0.002","13.776","0.003","13.667","0.003","89","","89","","90","","2788.7","0.9","298.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Br N3 O3 Re -","- C9 H15 Br N3 O3 Re -","- C72 H120 Br8 N24 O24 Re8 -","8","1","","Keisuke Suzuki; Naomi Shimmura; Khajadpai Thipyapong; Tomoya Uehara; Hiromichi Akizawa; Yasushi Arano","Assessment of Macrocyclic Triamine Ligands As Synthons for Organometallic 99mTc Radiopharmaceuticals","Inorganic Chemistry","2008","47","","2593","2600","10.1021/ic7019654","","","1.5418","CuKα","","","0.0574","","","","0.0764","","","","","","2.295","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304582","13.894","0.002","10.9981","0.0015","19.653","0.003","90","","90","","90","","3003.1","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H9 Cl Cr N2 O2 S2 -","- C14 H9 Cl Cr N2 O2 S2 -","- C112 H72 Cl8 Cr8 N16 O16 S16 -","8","1","","Hiu Fung Lau; Pearly Chwee Ying Ang; Victor Wee Lin Ng; Seah Ling Kuan; Lai Yoong Goh; Alexey S. Borisov; Paul Hazendonk; Tracey L. Roemmele; René T. Boeré; Richard D. Webster","Coupling of CpCr(CO)3 and Heterocyclic Dithiadiazolyl Radicals. Synthetic, X-ray Diffraction, Dynamic NMR, EPR, CV, and DFT Studies","Inorganic Chemistry","2008","47","","632","644","10.1021/ic702128f","","","0.71073","MoKα","","0.0867","0.0726","","","0.1437","0.149","","","","","","1.3","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304593","17.705","0.001","19.206","0.001","25.513","0.001","90","","90","","90","","8675.5","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly{[(1,2-μ-perchlorato-1κO,2κO)(2-perchlorato -κO)(μ-bis(bis(2-methoxy-phenoxy)phosphino)phenylamine- 1κP,2κP')disilver(I)]-1:2-μ-pyrazine}","","- C38 H37 Ag2 Cl2 N3 O16 P2 -","- C38 H37 Ag2 Cl2 N3 O16 P2 -","- C304 H296 Ag16 Cl16 N24 O128 P16 -","8","1","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague; Heikki M. Tuononen","Bi-, Tetra-, and Hexanuclear AuI and Binuclear AgI Complexes and AgI Coordination Polymers Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Pyridyl Ligands","Inorganic Chemistry","2008","47","","2764","2776","10.1021/ic702133f","","","0.71073","MoKα","","0.0578","0.0348","","","0.0635","0.0724","","","","","","1.041","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304612","20.0202","0.0005","8.7848","0.0002","39.2963","0.001","90","","90","","90","","6911.2","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 Mg O P -","- C18 H23 Mg O P -","- C288 H368 Mg16 O16 P16 -","16","2","","Martin Gärtner; Helmar Görls; Matthias Westerhausen","Arylphosphanide Complexes of the Alkaline-Earth Metals Magnesium, Calcium, Strontium, and Barium of the Formula (THF)nM[P(H)Ph]2 and Formation of Potassium Diphenylphosphinomagnesiates","Inorganic Chemistry","2008","47","","1397","1405","10.1021/ic702148v","","","0.71073","MoKα","","0.0788","0.0454","","","0.1023","0.1157","","","","","","1.009","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4304621","22.52","0.01","22.52","0.013","22.52","0.013","90","","90","","90","","11421","11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H79 Fe N4 O8 -","- C57 H69 Fe N4 O8 -","- C456 H552 Fe8 N32 O64 -","8","1","","Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations","Inorganic Chemistry","2008","47","","1165","1172","10.1021/ic702154z","","","0.71073","mokα","","0.1938","0.0985","","","0.272","0.3064","","","","","","0.905","","","","has coordinates,has disorder","134499","2020-10-21","18:00:00",""
"4304709","9.918","0.002","16.269","0.004","16.783","0.004","90","","90","","90","","2708","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 B F5 N4 Xe -","- C10 B F5 N4 Xe -","- C80 B8 F40 N32 Xe8 -","8","1","","Karsten Koppe; Hermann-J. Frohn; Hélène P. A. Mercier; Gary J. Schrobilgen","[C6F5Xe]+ and [C6F5XeNCCH3]+ Salts of the Weakly Coordinating Borate Anions, [BY4]- (Y = CN, CF3, or C6F5)","Inorganic Chemistry","2008","47","","3205","3217","10.1021/ic702259c","","","0.71073","MoKα","","0.0846","0.0364","","","0.043","0.0481","","","","","","1.004","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4304736","18.643","0.004","15.995","0.003","23.338","0.005","90","","90","","90","","6959","2","123.1","","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H41 Mo N O P2 Pt S2 -","- C37 H41 Mo N O P2 Pt S2 -","- C296 H328 Mo8 N8 O8 P16 Pt8 S16 -","8","1","","Kazuya Arashiba; Hidetaka Iizuka; Shoji Matsukawa; Shigeki Kuwata; Yoshiaki Tanabe; Masakazu Iwasaki; Youichi Ishii","Synthesis, Structures, and Properties of Group 9- and Group 10-Group 6 Heterodinuclear Nitrosyl Complexes","Inorganic Chemistry","2008","47","","4264","4274","10.1021/ic702309h","","","0.7107","MoKα","","","0.0346","","","","0.0347","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304795","17.206","0.002","11.5897","0.0014","29.7","0.004","90","","90","","90","","5922.5","1.3","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H52 N Ni P2 Si2 -","- C22 H52 N Ni P2 Si2 -","- C176 H416 N8 Ni8 P16 Si16 -","8","1","","Michael J. Ingleson; Benjamin C. Fullmer; Drew T. Buschhorn; Hongjun Fan; Maren Pink; John C. Huffman; Kenneth G. Caulton","Influence of the d-Electron Count on CO Binding by Three-Coordinate [(tBu2PCH2SiMe2)2N]Fe, -Co, and -Ni","Inorganic Chemistry","2008","47","","407","409","10.1021/ic7023764","","","0.71073","MoKα","","0.0307","0.0231","","","0.0579","0.064","","","","","","1.092","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4304839","15.2586","0.0016","14.4267","0.0014","21.182","0.002","90","","90","","90","","4662.8","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 B N6 Ni S -","- C21 H27 B N6 Ni S -","- C168 H216 B8 N48 Ni8 S8 -","8","1","","Swarup Chattopadhyay; Tapash Deb; Huaibo Ma; Jeffrey L. Petersen; Victor G. Young; Michael P. Jensen","Arylthiolate Coordination and Reactivity at Pseudotetrahedral Nickel(II) Centers: Modulation by Noncovalent Interactions","Inorganic Chemistry","2008","47","","3384","3392","10.1021/ic702417w","","","0.71073","MoKα","","0.0614","0.0401","","","0.1061","0.1246","","","","","","1.043","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304889","9.19869","0.00029","18.6418","0.0006","8.78903","0.00028","90","","90","","90","","1507.14","0.08","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- O9 P2 Th -","- O9 P2 Th -","- O72 P16 Th8 -","8","1","","Miguel A. Salvadó; Pilar Pertierra; Germán R. Castro; Camino Trobajo; José R. García","Synthesis and Crystal Structure of Thorium Bis(hydrogenphosphate) Monohydrate","Inorganic Chemistry","2008","47","","1246","1248","10.1021/ic702497x","powder diffraction","x-ray","0.826486","Kα~1~","","","","","","","","0.09115","","1.23","","","","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304895","7.531","0.0002","19.382","0.0006","23.747","0.0007","90","","90","","90","","3466.25","0.17","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl4 Ir K N4 -","- C8 H12 Cl4 Ir K N4 -","- C64 H96 Cl32 Ir8 K8 N32 -","8","1","","Laura L. Perissinotti; Gregory Leitus; Linda Shimon; Dario Estrin; Fabio Doctorovich","A Unique Family of Stable and Water-Soluble S-Nitrosothiol Complexes","Inorganic Chemistry","2008","47","","4723","4733","10.1021/ic7024999","","","0.71073","MoKα","","0.0576","0.0323","","","0.0736","0.0802","","","","","","0.965","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304898","11.8894","0.0005","16.0816","0.0006","25.2065","0.001","90","","90","","90","","4819.5","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 N4 O11 U -","- C16 H32 N4 O11 U -","- C128 H256 N32 O88 U8 -","8","1","","Shanmugaperumal Kannan; Morgan A. Moody; Charles L. Barnes; Paul B. Duval","Lanthanum(III) and Uranyl(VI) Diglycolamide Complexes: Synthetic Precursors and Structural Studies Involving Nitrate Complexation","Inorganic Chemistry","2008","47","","4691","4695","10.1021/ic7025076","","","0.71073","MoKα","","0.053","0.0309","","","0.0529","0.0576","","","","","","1.047","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304907","18.731","0.0007","20.1036","0.0007","20.4087","0.0007","90","","90","","90","","7685.1","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H128 Al4 O4 Yb2 -","- C72 H128 Al4 O4 Yb2 -","- C288 H512 Al16 O16 Yb8 -","4","0.5","","Hanne-Marthe Sommerfeldt; Christian Meermann; Karl W. Törnroos; Reiner Anwander","Distinct Reaction Pathways of Peralkylated LnIIAlIII Heterobimetallic Complexes with Substituted Phenols","Inorganic Chemistry","2008","47","","4696","4705","10.1021/ic702517s","","","0.71073","MoKα","","0.0278","0.0192","","","0.0406","0.0446","","","","","","1.078","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304988","15.055","0.0006","13.7819","0.0006","25.8716","0.0011","90","","90","","90","","5368","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F12 N4 O2 Pt -","- C25 H16 F12 N4 O2 Pt -","- C200 H128 F96 N32 O16 Pt8 -","8","1","","Jing-Lin Chen; Chen-Huey Lin; Jian-Hong Chen; Yun Chi; Yuan-Chieh Chiu; Pi-Tai Chou; Cheng-Hsuan Lai; Gene-Hsiang Lee; Arthur J. Carty","Reactions of the (2-Pyridyl) Pyrrolide Platinum(II) Complex Driven by Sterically Encumbered Chelation: A Model for the Reversible Attack of Alcohol at the Coordinated Carbon Monoxide","Inorganic Chemistry","2008","47","","5154","5161","10.1021/ic800117v","","","0.71073","MoKα","","0.0602","0.0394","","","0.0784","0.0934","","","","","","1.092","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305057","8.6227","0.0006","11.3457","0.0007","13.8635","0.0009","90","","90","","90","","1356.27","0.15","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H2 O7 P2 U -","- C H2 O7 P2 U -","- C8 H16 O56 P16 U8 -","8","1","","Anna-Gay D. Nelson; Travis H. Bray; Wei Zhan; Richard G. Haire; Todd S. Sayler; Thomas E. Albrecht-Schmitt","Further Examples of the Failure of Surrogates to Properly Model the Structural and Hydrothermal Chemistry of Transuranium Elements: Insights Provided by Uranium and Neptunium Diphosphonates","Inorganic Chemistry","2008","47","","4945","4951","10.1021/ic800255h","","","0.71073","MoKα","","0.041","0.0352","","","0.0803","0.0825","","","","","","1.088","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305071","9.971","0.001","12.534","0.002","13.83","0.001","90","","90","","90","","1728.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[(mu-pyrimidine-4,6-dicarboxylato)- acua-manganese(II)-water (1/1)]","","- C6 H6 Mn N2 O6 -","- C6 H6 Mn N2 O6 -","- C48 H48 Mn8 N16 O48 -","8","1","","Garikoitz Beobide; Wen-guo Wang; Oscar Castillo; Antonio Luque; Pascual Román; Giulia Tagliabue; Simona Galli; Jorge A. R. Navarro","Manganese(II) Pyrimidine-4,6-dicarboxylates: Synthetic, Structural, Magnetic, and Adsorption Insights","Inorganic Chemistry","2008","47","","5267","5277","10.1021/ic8002788","","","0.71073","MoKα","","0.0484","0.0321","","","0.078","0.0825","","","","","","0.961","","","","has coordinates,has disorder","179088","2020-10-21","18:00:00",""
"4305169","10.136","0.003","8.868","0.003","35.64","0.01","90","","90","","90","","3203.5","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N2 O5 V -","- C16 H15 N2 O5 V -","- C128 H120 N16 O40 V8 -","8","1","","Rupam Dinda; Parbati Sengupta; Manas Sutradhar; Thomas C. W. Mak; Saktiprosad Ghosh","Solution Study of a Structurally Characterized Monoalkoxo-Bound Monooxo-Vanadium(V) Complex: Spontaneous Generation of the Corresponding Oxobridged Divanadium(V,V) Complex and its Electroreduction to a Mixed-Valence Species in Solution","Inorganic Chemistry","2008","47","","5634","5640","10.1021/ic702172p","","","0.71073","MoKα","","0.0527","0.0391","","","0.1059","0.1141","","","","","","1.038","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305294","13.2193","0.0004","17.3094","0.0005","21.5531","0.0006","90","","90","","90","","4931.7","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Au N6 O2 Ru -","- C26 H20 Au N6 O2 Ru -","- C208 H160 Au8 N48 O16 Ru8 -","8","1","","Wai-Lun Man; Hoi-Ki Kwong; William W. Y. Lam; Jing Xiang; Tsz-Wing Wong; Wing-Hong Lam; Wing-Tak Wong; Shie-Ming Peng; Tai-Chu Lau","General Synthesis of (Salen)ruthenium(III) Complexes via N...N Coupling of (Salen)ruthenium(VI) Nitrides","Inorganic Chemistry","2008","47","","5936","5944","10.1021/ic800263n","","","0.71073","MoKα","","0.1349","0.0881","","0.1228","0.1103","","","","1.242","1.313","1.313","","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305299","13.2193","0.0004","17.3094","0.0005","21.5531","0.0006","90","","90","","90","","4931.7","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Au N6 O2 Ru -","- C26 H20 Au N6 O2 Ru -","- C208 H160 Au8 N48 O16 Ru8 -","8","1","","Wai-Lun Man; Hoi-Ki Kwong; William W. Y. Lam; Jing Xiang; Tsz-Wing Wong; Wing-Hong Lam; Wing-Tak Wong; Shie-Ming Peng; Tai-Chu Lau","General Synthesis of (Salen)ruthenium(III) Complexes via N...N Coupling of (Salen)ruthenium(VI) Nitrides","Inorganic Chemistry","2008","47","","5936","5944","10.1021/ic800263n","","","0.71073","MoKα","","0.1154","0.0783","","","0.1041","0.1144","","","","","","1.245","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305400","15.8816","0.0004","9.2974","0.0002","25.287","0.0007","90","","90","","90","","3733.82","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H31.2 O11.6 S2 Zn2 -","- C36 H29.6 O11.6 S2 Zn2 -","- C144 H118.4 O46.4 S8 Zn8 -","4","0.5","","Bich Tram Nguyen Pham; Liisa M. Lund; Datong Song","Novel Luminescent Metal-Organic Frameworks [Eu2L3(DMSO)2(MeOH)2].2DMSO.3H2O and [Zn2L2(DMSO)2].1.6H2O (L = 4,4'-Ethyne-1,2-diyldibenzoate)","Inorganic Chemistry","2008","47","","6329","6335","10.1021/ic800394g","","","0.71073","MoKα","","0.0756","0.0551","","","0.1458","0.1612","","","","","","1.084","","","","has coordinates,has disorder","179092","2020-10-21","18:00:00",""
"4305445","12.0011","0.0014","10.0307","0.0012","18.899","0.002","90","","90","","90","","2275.1","0.4","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N P -","- C12 H16 N P -","- C96 H128 N8 P8 -","8","1","","Bhaskar Reddy Aluri; Markus K. Kindermann; Peter G. Jones; Ina Dix; Joachim Heinicke","Bulky N-Substituted 1,3-Benzazaphospholes: Access via Pd-Catalyzed C-N and C-P Cross Coupling, Lithiation, and Conversion to Novel P=C-PtBu2 Hybrid Ligands","Inorganic Chemistry","2008","47","","6900","6912","10.1021/ic800430f","","","0.71073","MoKα","","0.0696","0.0402","","","0.0997","0.1138","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305551","14.0278","0.0003","14.3718","0.0003","18.2724","0.0005","90","","90","","90","","3683.8","0.15","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Cl2 Cu N5 O -","- C17 H19 Cl2 Cu N5 O -","- C136 H152 Cl16 Cu8 N40 O8 -","8","1","","Xianggao Meng; Liang Liu; Chunshan Zhou; Li Wang; Changlin Liu","Dinuclear Copper(II) Complexes of a Polybenzimidazole Ligand: Their Structures and Inductive Roles in DNA Condensation","Inorganic Chemistry","2008","47","","6572","6574","10.1021/ic800532q","","","0.71073","Mokα","","0.0724","0.0463","","","0.1215","0.1286","","","","","","0.98","","","","has coordinates,has disorder","179093","2020-10-21","18:00:00",""
"4305600","14.0101","0.0005","15.0958","0.0005","16.0605","0.0005","90","","90","","90","","3396.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H8 B K N6 O S6 -","- C7 H8 B K N6 O S6 -","- C56 H64 B8 K8 N48 O8 S48 -","8","1","","Rosalice M. Silva; Chengeto Gwengo; Sergey V. Lindeman; Mark D. Smith; Gary J. Long; Fernande Grandjean; James R. Gardinier","A Second-Generation Janus Scorpionate Ligand: Controlling Coordination Modes in Iron(II) Complexes by Steric Modulation","Inorganic Chemistry","2008","47","","7233","7242","10.1021/ic8005794","","","1.54178","CuKα","","0.0249","0.0228","","","0.0623","0.0636","","","","","","1.027","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305617","11.7887","0.0006","11.5472","0.0006","35.491","0.0019","90","","90","","90","","4831.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H29 Cl N4 O Pd -","- C25 H29 Cl N4 O Pd -","- C200 H232 Cl8 N32 O8 Pd8 -","8","1","","José Ruiz; Julia Lorenzo; Consuelo Vicente; Gregorio López; Miguel Monge; Francesc X. Avilés; Delia Bautista; Virtudes Moreno; Antonio Laguna","New Palladium(II) and Platinum(II) Complexes with 9-Aminoacridine: Structures, Luminiscence, Theoretical Calculations, and Antitumor Activity","Inorganic Chemistry","2008","47","","6990","7001","10.1021/ic800589m","","","0.71073","MoKα","","0.0284","0.0271","","","0.0631","0.0638","","","","","","1.154","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305647","11.4256","0.0009","17.3545","0.0013","31.182","0.002","90","","90","","90","","6182.9","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Manganese carboxylate","","","- C28 H25 K Mn2 N0 O17 -","- C28 H25 K Mn2 O17 -","- C224 H200 K8 Mn16 O136 -","8","1","","Partha Mahata; Manikanda Prabu; Srinivasan Natarajan","Role of Temperature and Time in the Formation of Infinite -M-O-M- Linkages and Isolated Clusters in MOFs: A Few Illustrative Examples","Inorganic Chemistry","2008","47","","8451","8463","10.1021/ic800621q","","","0.71073","MoKα","","0.1493","0.079","","","0.1246","0.1457","","","","","","1.091","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305672","13.8786","0.0019","9.1441","0.0012","33.301","0.005","90","","90","","90","","4226.1","1","106","2","106","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Fe2 N2 O4 P S2 -","- C15 H23 Fe2 N2 O4 P S2 -","- C120 H184 Fe16 N16 O32 P8 S16 -","8","1","","Christine M. Thomas; Tianbiao Liu; Michael B. Hall; Marcetta Y. Darensbourg","Series of Mixed Valent Fe(II)Fe(I) Complexes That Model the Hox State of [FeFe]Hydrogenase: Redox Properties, Density-Functional Theory Investigation, and Reactivities with Extrinsic CO","Inorganic Chemistry","2008","47","","7009","7024","10.1021/ic800654a","","","0.71073","MoKα","","0.0888","0.0464","","","0.1047","0.1177","","","","","","0.954","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305702","9.5896","0.0004","13.3487","0.0006","13.4502","0.0006","90","","90","","90","","1721.74","0.13","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H8 N O8 P U -","- C2 H8 N O8 P U -","- C16 H64 N8 O64 P8 U8 -","8","1","","Karah E. Knope; Christopher L. Cahill","Structural Variation within Homometallic Uranium(VI) Carboxyphosphonates: In Situ Ligand Synthesis, Directed Assembly, Metal-Ligand Coordination and Hydrogen Bonding","Inorganic Chemistry","2008","47","","7660","7672","10.1021/ic800683m","","","0.71073","MoKα","","0.0347","0.0196","","","0.0354","0.0374","","","","","","0.918","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305765","15.611","0.002","17.516","0.002","21.384","0.002","90","","90","","90","","5847.3","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino] benzene-1","","- C62 H60 N2 O16 P4 -","- C62 H60 N2 O16 P4 -","- C248 H240 N8 O64 P16 -","4","0.5","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague; Heikki M. Tuononen","New Tetraphosphane Ligands {(X2P)2NC6H4N(PX2)2} (X = Cl, F, OMe, OC6H4OMe-o): Synthesis, Derivatization, Group 10 and 11 Metal Complexes and Catalytic Investigations. DFT Calculations on Intermolecular P...P Interactions in Halo-Phosphines","Inorganic Chemistry","2008","47","","7035","7047","10.1021/ic800724u","","","0.71073","MoKα","","0.0589","0.0484","","","0.1068","0.1118","","","","","","1.093","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4305833","13.717","0.0006","14.7878","0.0006","21.0282","0.0008","90","","90","","90","","4265.4","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Co N3 O6 -","- C21 H23 Co N3 O6 -","- C168 H184 Co8 N24 O48 -","8","1","","Mohammad Hedayetullah Mir; Susumu Kitagawa; Jagadese J. Vittal","Two- and Three-fold Interpenetrated Metal-Organic Frameworks from One-Pot Crystallization","Inorganic Chemistry","2008","47","","7728","7733","10.1021/ic800766q","","","0.71073","MoKα","","0.0881","0.0595","","","0.1533","0.1688","","","","","","1.027","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305850","15.2504","0.0017","14.8275","0.0017","23.127","0.003","90","","90","","90","","5229.6","1.1","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H28 B8 Cl2 Fe N O2 P -","- C19 H28 B8 Cl2 Fe N O2 P -","- C152 H224 B64 Cl16 Fe8 N8 O16 P8 -","8","1","","Andreas Franken; Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Formation of Intramolecular Rings in Ferramonocarbollide Complexes","Inorganic Chemistry","2008","47","","8788","8797","10.1021/ic800780w","","","0.7107","MoKα","","0.1202","0.061","","","0.1055","0.1236","","","","","","0.996","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305930","16.656","0.0002","16.8528","0.0002","23.1881","0.0003","90","","90","","90","","6508.91","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Cl2 N2 O Pt -","- C34 H38 Cl2 N2 O Pt -","- C272 H304 Cl16 N16 O8 Pt8 -","8","1","","Christopher J. Adams; Natalie Fey; Zoë A. Harrison; Igor V. Sazanovich; Michael Towrie; Julia A. Weinstein","Photophysical Properties of Platinum(II)-Acetylide Complexes: the Effect of a Strongly Electron-Accepting Diimine Ligand on Excited-State Structure","Inorganic Chemistry","2008","47","","8242","8257","10.1021/ic800850h","","","0.71073","MoKα","","0.0756","0.0424","","","0.0837","0.0997","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306088","12.4576","0.0009","11.0223","0.0008","24.0277","0.0018","90","","90","","90","","3299.3","0.4","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H28 B10 Si -","- C6 H28 B10 Si -","- C48 H224 B80 Si8 -","8","1","","Upal Kusari; Patrick J. Carroll; Larry G. Sneddon","Ionic-Liquid-Promoted Decaborane Olefin-Hydroboration: A New Efficient Route to 6-R-B10H13 Derivatives","Inorganic Chemistry","2008","47","","9203","9215","10.1021/ic801000c","","","0.71069","MoKα","","0.0575","0.0483","","","0.118","0.1254","","","","","","1.149","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306092","8.632","0.005","6.847","0.005","12.8151","0.0007","90","","90","","90","","757.4","0.7","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Selenium(II) dicyanide","","","- C2 N2 Se -","- C2 N2 Se -","- C16 N16 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Matthias Scherr","Homoleptic Selenium Cyanides: Attempted Preparation of Se(CN)4 and Redetermination of the Crystal Structure of Se(CN)2","Inorganic Chemistry","2008","47","","7025","7028","10.1021/ic801011g","","","0.71073","MoKα","","0.0699","0.0334","","","0.0807","0.0949","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4306165","15.6164","0.0015","14.3423","0.0015","15.836","0.002","90","","90","","90","","3546.9","0.7","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis((mu~2~-chloro)-(1,2-bis(dimethylphosphanyl)benzene)-dichloro-indium(III)) dichloromethane solvate","","- C20.6 H33.2 Cl7.2 In2 P4 -","- C20 H32 Cl7.2 In2 P4 -","- C80 H128 Cl28.8 In8 P16 -","4","0.5","","Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides","Inorganic Chemistry","2008","47","","9691","9700","10.1021/ic801091n","","","0.71073","MoKα","","0.0762","0.0541","","","0.1323","0.1433","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306168","15.788","0.003","14.612","0.003","15.944","0.003","90","","90","","90","","3678.2","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis((mu~2~-chloro)-(1,2-bis(dimethylarsino)benzene)-dichloro-indium(III)) dichloromethane solvate","","- C20.5 H33 As4 Cl7 In2 -","- C20 H32 As4 Cl7 In2 -","- C80 H128 As16 Cl28 In8 -","4","0.5","","Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides","Inorganic Chemistry","2008","47","","9691","9700","10.1021/ic801091n","","","0.71073","MoKα","","0.0941","0.0667","","","0.1464","0.1629","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306178","17.304","0.002","7.9368","0.001","28.327","0.004","90","","90","","90","","3890.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","CNArMes2","","","- C25 H25 N -","- C25 H25 N -","- C200 H200 N8 -","8","1","","Brian J. Fox; Queena Y. Sun; Antonio G. DiPasquale; Alexander R. Fox; Arnold L. Rheingold; Joshua S. Figueroa","Solution Behavior and Structural Properties of Cu(I) Complexes Featuringm-Terphenyl Isocyanides","Inorganic Chemistry","2008","47","","9010","9020","10.1021/ic8010986","","","0.71073","MoKα","","0.1099","0.0535","","","0.1258","0.1514","","","","","","1.006","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4306312","7.232","0.003","13.3","0.006","26.511","0.012","90","","90","","90","","2550","1.9","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cu N3 O3 -","- C12 H15 Cu N3 O3 -","- C96 H120 Cu8 N24 O24 -","8","1","","Biswarup Sarkar; Sanjit Konar; Carlos J. Gómez-García; Ashutosh Ghosh","Rare Example of μ-Nitrito-1κ2O,O':2κOCoordinating Mode in Copper(II) Nitrite Complexes with Monoanionic Tridentate Schiff Base Ligands: Structure, Magnetic, and Electrochemical Properties","Inorganic Chemistry","2008","47","","11611","11619","10.1021/ic8011519","","","0.71073","MoKα","","0.0318","0.0268","","","0.0792","0.0926","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306321","19.0039","0.0004","16.5361","0.0003","22.5153","0.0004","90","","90","","90","","7075.4","0.2","223","","223","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","[(ν^5^-pentamethylcyclopentadienyl)(ν^6^-butyrophenone)] ruthenium(II) tetraphenylborate","","- C44 H47 B O Ru -","- C44 H47 B O Ru -","- C352 H376 B8 O8 Ru8 -","8","1","","Bradley T. Loughrey; Peter C. Healy; Peter G. Parsons; Michael L. Williams","Selective Cytotoxic Ru(II) Arene Cp* Complex Salts [R-PhRuCp*]+X- for X = BF4-, PF6-, and BPh4-","Inorganic Chemistry","2008","47","","8589","8591","10.1021/ic801159f","","x-ray","0.7107","MoKα","","0.0437","0.0285","","","0.0701","0.0743","","","","","","1.047","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4306438","8.242","0.002","11.858","0.002","27.53","0.004","90","","90","","90","","2690.6","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As F6 N4 S3 -","- C7 H5 As F6 N4 S3 -","- C56 H40 As8 F48 N32 S24 -","8","1","","Carsten Knapp; Paul G. Watson; Enno Lork; Daniel H. Friese; Rüdiger Mews; Andreas Decken","Trithiatetrazocine Cations, [RCN4S3]+; Planar Sulfur-Nitrogen 10π Aromatics","Inorganic Chemistry","2008","47","","10618","10625","10.1021/ic801253f","","","0.71073","MoKα","","0.0561","0.035","","","0.0741","0.083","","","","","","1.052","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306446","13.799","0.003","20.73","0.005","26.676","0.007","90","","90","","90","","7631","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H39 Cu N9 O4 P S -","- C37 H39 Cu N9 O4 P S -","- C296 H312 Cu8 N72 O32 P8 S8 -","8","1","","Riccardo Wanke; Piotr Smoleński; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Armando J. L. Pombeiro","Cu(I) Complexes Bearing the New Sterically Demanding and Coordination Flexible Tris(3-phenyl-1-pyrazolyl)methanesulfonate Ligand and the Water-Soluble Phosphine 1,3,5-Triaza-7-phosphaadamantane or Related Ligands","Inorganic Chemistry","2008","47","","10158","10168","10.1021/ic801254b","","","0.71073","MoKα","","0.1721","0.0615","","","0.1022","0.1386","","","","","","0.94","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306447","11.4692","0.0007","21.8702","0.0014","28.7465","0.0016","90","","90","","90","","7210.6","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H39 Cu N10 O4 S -","- C37 H39 Cu N10 O4 S -","- C296 H312 Cu8 N80 O32 S8 -","8","1","","Riccardo Wanke; Piotr Smoleński; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Armando J. L. Pombeiro","Cu(I) Complexes Bearing the New Sterically Demanding and Coordination Flexible Tris(3-phenyl-1-pyrazolyl)methanesulfonate Ligand and the Water-Soluble Phosphine 1,3,5-Triaza-7-phosphaadamantane or Related Ligands","Inorganic Chemistry","2008","47","","10158","10168","10.1021/ic801254b","","","0.71069","MoKα","","0.1315","0.0555","","","0.0968","0.12","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4306461","16.777","0.014","21.876","0.019","37.58","0.03","90","","90","","90","","13792","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H99 B2 Dy O7 -","- C77 H99 B2 Dy O7 -","- C616 H792 B16 Dy8 O56 -","8","1","","Mathias U. Kramer; Dominique Robert; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Ahmed Yahia; Laurent Maron; Odile Eisenstein; Jun Okuda","Cationic Methyl Complexes of the Rare-Earth Metals: An Experimental and Computational Study on Synthesis, Structure, and Reactivity","Inorganic Chemistry","2008","47","","9265","9278","10.1021/ic801259n","","","0.71073","MoKα","","0.1265","0.0796","","","0.1652","0.1876","","","","","","1.131","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306490","18.8734","0.0015","18.095","0.0015","30.283","0.003","90","","90","","90","","10342.1","1.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H49 B2 F20 P Ru -","- C52 H49 B2 F20 P Ru -","- C416 H392 B16 F160 P8 Ru8 -","8","1","","Kevin D. Hesp; Matthew A. Rankin; Robert McDonald; Mark Stradiotto","Synthesis and Characterization of a Cationic Ruthenium Complex Featuring an Unusual Bis(η2-BH) Monoborane Ligand","Inorganic Chemistry","2008","47","","7471","7473","10.1021/ic801300m","","","0.71073","MoKα","","0.0509","0.0342","","","0.0804","0.09","","","","","","1.047","","","","has coordinates","179102","2020-10-21","18:00:00",""
"4306515","18.774","0.004","15.687","0.003","20.218","0.004","90","","90","","90","","5954","2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H50 B N3 -","- C30 H50 B N3 -","- C240 H400 B8 N24 -","8","1","","Andrea M. Corrente; Tristram Chivers","Boraguanidinates: Synthesis, X-ray Structures, and Reactions of {Li2[iPr2NB(NDipp)2]}2 with p-Block and Group 12 Element Halides","Inorganic Chemistry","2008","47","","10073","10080","10.1021/ic801336t","","","0.71073","MoKα","","0.069","0.0468","","","0.1107","0.1238","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4306526","12.229","0.002","20.175","0.004","43.619","0.009","90","","90","","90","","10762","4","200","2","200","2","","","","","","","Synthesis, S. C. Lee Lab","5","P b c a","-P 2ac 2ab","61","t-butly amine adduct, (2 . C7H8)","","","- C56 H56 Fe N2 S2 -","- C56 H56 Fe N2 S2 -","- C448 H448 Fe8 N16 S16 -","8","1","","Michael J. Zdilla; Atul K. Verma; Sonny C. Lee","Reactivity of a Sterically Hindered Fe(II) Thiolate Dimer with Amines and Hydrazines","Inorganic Chemistry","2008","47","","11382","11390","10.1021/ic801349y","","","0.71073","MoKα","","0.1436","0.0976","","","0.2397","0.2638","","","","","","1.046","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306557","8.7937","0.0001","19.0505","0.0002","22.7051","0.0003","90","","90","","90","","3803.66","0.08","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 I N P2 S Te -","- C12 H28 I N P2 S Te -","- C96 H224 I8 N8 P16 S8 Te8 -","8","1","","Stuart D. Robertson; Tristram Chivers; Heikki M. Tuononen","Experimental and Theoretical Investigations of the Redox Behavior of the Heterodichalcogenido Ligands [(EPiPr2)(TePiPr2)N]-(E = S, Se): Cyclic Cations and Acyclic Dichalcogenide Dimers","Inorganic Chemistry","2008","47","","10634","10643","10.1021/ic801384c","","","0.71073","MoKα","","0.0304","0.0273","","","0.0644","0.0663","","","","","","1.255","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306588","10.857","0.0014","17.1423","0.0007","30.65","0.002","90","","90","","90","","5704.4","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H40 I2 N4 O2 Zn2 -","- C21 H40 I2 N4 O2 Zn2 -","- C168 H320 I16 N32 O16 Zn16 -","8","1","","Paul D. Knight; Andrew J. P. White; Charlotte K. Williams","Dinuclear Zinc Complexes Using Pentadentate Phenolate Ligands","Inorganic Chemistry","2008","47","","11711","11719","10.1021/ic8014173","","","0.71073","MoKα","","0.0474","0.0317","","","0.0671","0.0702","","","","","","1.054","","","","has coordinates,has disorder","179103","2020-10-21","18:00:00",""
"4306592","14.9091","0.00011","21.03283","0.00013","27.56843","0.00016","90","","90","","90","","8644.92","0.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H53 B N4 O5 Zn2 -","- C45 H53 B N4 O5 Zn2 -","- C360 H424 B8 N32 O40 Zn16 -","8","1","","Paul D. Knight; Andrew J. P. White; Charlotte K. Williams","Dinuclear Zinc Complexes Using Pentadentate Phenolate Ligands","Inorganic Chemistry","2008","47","","11711","11719","10.1021/ic8014173","","","1.54184","CuKα","","0.0476","0.0317","","","0.0809","0.0868","","","","","","0.94","","","","has coordinates,has disorder","179103","2020-10-21","18:00:00",""
"4306604","8.415","0.0007","9.796","0.0008","18.9668","0.0015","90","","90","","90","","1563.5","0.2","294","2","294","2","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- H K O4 S -","- H K O4 S -","- H16 K16 O64 S16 -","16","2","","Diptikanta Swain; Tayur N. Guru Row","In Situ Crystallography of KHSO4: Probing the Kinetic Pathway for the Evolution of a Pyrolysis Reaction in the Crystalline State","Inorganic Chemistry","2008","47","","8613","8615","10.1021/ic801426f","","","0.71073","MoKα","","0.0229","0.0211","","","0.055","0.0566","","","","","","1.128","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306645","13.2499","0.0008","18.3951","0.001","20.418","0.0011","90","","90","","90","","4976.5","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl2 N6 Zn2 -","- C20 H32 Cl2 N6 Zn2 -","- C160 H256 Cl16 N48 Zn16 -","8","1","","Saba Javed; David M. Hoffman","Synthesis of Zinc Hydrazonide Complexes","Inorganic Chemistry","2008","47","","11984","11992","10.1021/ic801451v","","","0.71073","MoKα","","0.0507","0.0253","","","0.0593","0.0668","","","","","","0.827","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306658","18.014","0.004","21.158","0.004","34.457","0.007","90","","90","","90","","13133","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 Si Sn -","- C36 H44 N2 Si Sn -","- C576 H704 N32 Si16 Sn16 -","16","2","","Stephen M. Mansell; Christopher A. Russell; Duncan F. Wass","Synthesis and Structural Characterization of Tin Analogues of N-Heterocyclic Carbenes","Inorganic Chemistry","2008","47","","11367","11375","10.1021/ic801479g","","","0.71073","MoKα","","0.0613","0.0434","","","0.0999","0.1171","","","","","","1.138","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306688","9.2628","0.0019","13.519","0.003","23.56","0.005","90","","90","","90","","2950.3","1.1","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Ta -","- C17 H22 Ta -","- C136 H176 Ta8 -","8","1","","Wontae Noh; Gregory S. Girolami","Mono(cycloheptatrienyl) Tantalum Chemistry: Synthesis and Characterization of New Tantalum Halide, Hydride, and Alkyl Species","Inorganic Chemistry","2008","47","","10682","10691","10.1021/ic8015035","","","0.71073","MoKα","","0.0523","0.0307","","","0.0605","0.0633","","","","","","0.954","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4306706","16.15","0.003","17.95","0.004","18.47","0.004","90","","90","","90","","5354.3","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(trimethylsilyl)-N-[2,6-bis-(2,4,6-trimethylphenyl)phenyl]amino-dichloroarsane","","- C27 H34 As Cl2 N Si -","- C27 H34 As Cl2 N Si -","- C216 H272 As8 Cl16 N8 Si8 -","8","1","","Dirk Michalik; Axel Schulz; Alexander Villinger","Lewis-Acid-Assisted Methyl Exchange Reactions In Silylated Aminodichloroarsanes","Inorganic Chemistry","2008","47","","11798","11806","10.1021/ic801526n","","","0.71073","MoKα","","0.0597","0.0312","","","0.065","0.0767","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4306763","12.9776","0.0014","15.3104","0.0017","17.5409","0.0019","90","","90","","90","","3485.2","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Ag F3 O3 S3 Si -","- C10 H16 Ag F3 O3 S3 Si -","- C80 H128 Ag8 F24 O24 S24 Si8 -","8","1","","Chinwon Rim; Hongming Zhang; David Y. Son","Silyl-Substituted Thioether Ligands and Their Ag(I) Complexes","Inorganic Chemistry","2008","47","","11993","12003","10.1021/ic801580t","","","0.71073","MoKα","","0.16","0.063","","","0.127","0.153","","","","","","0.754","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306818","13.314","0.004","16.936","0.005","32.812","0.009","90","","90","","90","","7399","4","141","2","120","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H57 N2 U -","- C44 H57 N2 U -","- C352 H456 N16 U8 -","8","1","","Christopher R. Graves; Anthony E. Vaughn; Eric J. Schelter; Brian L. Scott; Joe D. Thompson; David E. Morris; Jaqueline L. Kiplinger","Probing the Chemistry, Electronic Structure and Redox Energetics in Organometallic Pentavalent Uranium Complexes","Inorganic Chemistry","2008","47","","11879","11891","10.1021/ic8017375","","","0.71073","MoKα","","0.0835","0.0503","","","0.06","0.0659","","","","","","1.106","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306840","14.167","0.003","18.89","0.005","17.547","0.004","90","","90","","90","","4695.8","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Tp*MoS(catecholate)","(catecholato}{hydrotris(3,5-dimethylpyrazol-1-yl)borato}sulfidomolybdenum(V)","","- C21 H26 B Mo N6 O2 S -","- C21.021 B1.001 Mo1.001 N6.006 O2.002 S1.001 -","- C168.168 B8.008 Mo8.008 N48.048 O16.016 S8.008 -","8","1","","Simon C. Drew; Jason P. Hill; Ian Lane; Graeme R. Hanson; Robert W. Gable; Charles G. Young","Synthesis, Structural Characterization, and Multifrequency Electron Paramagnetic Resonance Studies of Mononuclear Thiomolybdenyl Complexes","Inorganic Chemistry","2007","46","","2373","2387","10.1021/ic060585j","","","0.71073","MoKα","","0.1152","0.0903","","","0.2435","0.2769","","","","","","1.135","","","","has coordinates,has disorder","179106","2020-10-21","18:00:00",""
"4306842","16.205","0.003","17.827","0.003","18.731","0.003","90","","90","","90","","5411.1","1.6","173.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cl Cu N3 O5 -","- C28 H33 Cl Cu N3 O5 -","- C224 H264 Cl8 Cu8 N24 O40 -","8","1","","Masato Kujime; Takuya Kurahashi; Masaaki Tomura; Hiroshi Fujii","63Cu NMR Spectroscopy of Copper(I) Complexes with Various Tridentate Ligands: CO as a Useful 63Cu NMR Probe for Sharpening 63Cu NMR Signals and Analyzing the Electronic Donor Effect of a Ligand","Inorganic Chemistry","2007","46","","541","551","10.1021/ic060745r","","","0.7107","MoKα","","","0.0889","","","","0.1687","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306885","9.978","0.002","14.061","0.003","20.115","0.006","90","","90","","90","","2822.1","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl2 N2 Pt -","- C13 H14 Cl2 N2 Pt -","- C104 H112 Cl16 N16 Pt8 -","8","1","","Virginia Diez; José V. Cuevas; Gabriel García-Herbosa; Gabriel Aullón; Jonathan P. H. Charmant; Arancha Carbayo; Asunción Muñoz","1H NMR Direct Observation of Enantiomeric Exchange in Palladium(II) and Platinum(II) Complexes Containing N,N' Bidentate Aryl-pyridin-2-ylmethyl-amine Ligands","Inorganic Chemistry","2007","46","","568","577","10.1021/ic061060u","","","0.71073","MoKα","","0.0344","0.0226","","","0.0513","0.0562","","","","","","1.078","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306895","19.869","0.001","26.65","0.001","25.843","0.001","90","","90","","90","","13684.1","1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C215.6 H83.6 Cl8.8 Co N9.6 -","- C215.6 H83.6 Cl8.8 Co N9.6 -","- C862.4 H334.4 Cl35.2 Co4 N38.4 -","4","0.5","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya","Formation of Antiferromagnetically Coupled C60.- and Diamagnetic (C70-)2 Dimers in Ionic Complexes of Fullerenes with (MDABCO+)2.MIITPP (M = Zn, Co, Mn, and Fe) Assemblies","Inorganic Chemistry","2007","46","","2261","2271","10.1021/ic0611138","","","0.71073","MoKα","","0.0796","0.0583","","","0.1454","0.1608","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4306896","20.025","0.001","25.95","0.001","25.938","0.002","90","","90","","90","","13478.6","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C215.8 H83.8 Cl8.4 Mn N9.8 -","- C215.8 H83.8 Cl8.4 Mn N9.8 -","- C863.2 H335.2 Cl33.6 Mn4 N39.2 -","4","0.5","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya","Formation of Antiferromagnetically Coupled C60.- and Diamagnetic (C70-)2 Dimers in Ionic Complexes of Fullerenes with (MDABCO+)2.MIITPP (M = Zn, Co, Mn, and Fe) Assemblies","Inorganic Chemistry","2007","46","","2261","2271","10.1021/ic0611138","","","0.71073","MoKα","","0.093","0.0593","","","0.131","0.1479","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4306944","18.1853","0.0003","13.9041","0.0004","28.1028","0.0009","90","","90","","90","","7105.8","0.3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","complex5","","- C32 H30 F12 N8 P2 Ru -","- C32 H30 F11.9 N8 P2 Ru -","- C256 H240 F95.2 N64 P16 Ru8 -","8","1","","Akiko Inagaki; Shinichi Yatsuda; Shinichi Edure; Akiko Suzuki; Takeshi Takahashi; Munetaka Akita","Synthesis of Pd Complexes Combined with Photosensitizing of a Ruthenium(II) Polypyridyl Moiety through a Series of Substituted Bipyrimidine Bridges. Substituent Effect of the Bridging Ligand on the Photocatalytic Dimerization of α-Methylstyrene","Inorganic Chemistry","2007","46","","2432","2445","10.1021/ic0612909","","","0.71075","MoKα","","0.051","0.0446","","","0.1192","0.1239","","","","","","1.041","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306991","10.955","0.001","14.075","0.001","40.522","0.004","90","","90","","90","","6248.2","1","293","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl2 N6 O12 Zn2 -","- C22 H34 Cl2 N6 O12 Zn2 -","- C176 H272 Cl16 N48 O96 Zn16 -","8","1","","Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Modulating the M-M Distance in Dinuclear Complexes. New Ligand with a 2,2'-Biphenol Fragment as Key Unit: Synthesis, Coordination Behavior, and Crystal Structures of Cu(II) and Zn(II) Dinuclear Complexes","Inorganic Chemistry","2007","46","","309","320","10.1021/ic061474n","","","1.54184","CuKα","","0.1591","0.0777","","","0.1974","0.2545","","","","","","0.895","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4307086","16.0272","0.0018","15.9956","0.0018","20.072","0.002","90","","90","","90","","5145.8","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H62 Cu2 N4 S2 -","- C60 H62 Cu2 N4 S2 -","- C240 H248 Cu8 N16 S8 -","4","0.5","","Eric C. Brown; Itsik Bar-Nahum; John T. York; Nermeen W. Aboelella; William B. Tolman","Ligand Structural Effects on Cu2S2 Bonding and Reactivity in Side-On Disulfido-Bridged Dicopper Complexes","Inorganic Chemistry","2007","46","","486","496","10.1021/ic061589r","","","0.71073","MoKα","","0.0547","0.041","","","0.0945","0.0997","","","","","","1.08","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307191","25.3783","0.0009","21.3325","0.0006","38.3131","0.0014","90","","90","","90","","20742","1.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- H46 K9 Lu O101 Si2 W22 -","- K9 Lu O101 Si2 W22 -","- K72 Lu8 O808 Si16 W176 -","8","1","","Bassem S. Bassil; Michael H. Dickman; Bernd von der Kammer; Ulrich Kortz","The Monolanthanide-Containing Silicotungstates [Ln(β2-SiW11O39)2]13- (Ln = La, Ce, Sm, Eu, Gd, Tb, Yb, Lu): A Synthetic and Structural Investigation","Inorganic Chemistry","2007","46","","2452","2458","10.1021/ic061737d","","","0.71073","MoKα","","0.0832","0.0598","","","0.1544","0.1726","","","","","","1.054","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4307198","21.3738","0.0005","38.3275","0.001","25.3172","0.0007","90","","90","","90","","20740","0.9","163","2","163","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- H46 K10.5 O101 Si2 W22 Yb -","- K10.5 O101 Si2 W22 Yb -","- K84 O808 Si16 W176 Yb8 -","8","1","","Bassem S. Bassil; Michael H. Dickman; Bernd von der Kammer; Ulrich Kortz","The Monolanthanide-Containing Silicotungstates [Ln(β2-SiW11O39)2]13- (Ln = La, Ce, Sm, Eu, Gd, Tb, Yb, Lu): A Synthetic and Structural Investigation","Inorganic Chemistry","2007","46","","2452","2458","10.1021/ic061737d","","","0.71073","MoKα","","0.0962","0.0639","","","0.1531","0.1745","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307296","16.098","0.002","15.199","0.002","21.481","0.002","90","","90","","90","","5255.8","1.1","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Fe I N2 O Si2 -","- C22 H34 Fe I N2 O Si2 -","- C176 H272 Fe8 I8 N16 O8 Si16 -","8","1","","Anjan Kumar Das; Zohreh Moatazedi; Garry Mund; Andrew J. Bennet; Raymond J. Batchelor; Daniel B. Leznoff","Chelating or Bridging? Halide-Controlled Binding Mode of Diamido Donor Ligands in Iron(III) Complexes","Inorganic Chemistry","2007","46","","366","368","10.1021/ic061832m","","","0.7093","MoKα","","0.1723","0.0423","","0.06","0.0476","0.0476","","","","","","1.1633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307320","12.55","0.005","13.508","0.005","22.083","0.005","90","","90","","90","","3744","2","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Ag Cl N2 O4 S2 -","- C17 H17 Ag Cl N2 O4 S2 -","- C136 H136 Ag8 Cl8 N16 O32 S16 -","8","1","","David B. Cordes; Lyall R. Hanton","Structural Invariance in Silver(I) Coordination Networks Formed Using Flexible Four-Armed Thiopyridine Ligands","Inorganic Chemistry","2007","46","","1634","1644","10.1021/ic061867m","","","0.71069","MoKα","","0.0854","0.0616","","","0.1712","0.1963","","","","","","1.073","","","","has coordinates,has disorder","179111","2020-10-21","18:00:00",""
"4307321","12.708","0.005","13.699","0.005","22.252","0.005","90","","90","","90","","3874","2","118","2","118","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Ag F6 N2 P S2 -","- C17 H17 Ag F6 N2 P S2 -","- C136 H136 Ag8 F48 N16 P8 S16 -","8","1","","David B. Cordes; Lyall R. Hanton","Structural Invariance in Silver(I) Coordination Networks Formed Using Flexible Four-Armed Thiopyridine Ligands","Inorganic Chemistry","2007","46","","1634","1644","10.1021/ic061867m","","","0.71069","MoKα","","0.0902","0.0448","","","0.0817","0.0865","","","","","","0.743","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307322","12.887","0.005","14.284","0.005","21.617","0.005","90","","90","","90","","3979","2","98","2","98","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Ag F3 N2 O2 S2 -","- C19 H17 Ag F3 N2 O2 S2 -","- C152 H136 Ag8 F24 N16 O16 S16 -","8","1","","David B. Cordes; Lyall R. Hanton","Structural Invariance in Silver(I) Coordination Networks Formed Using Flexible Four-Armed Thiopyridine Ligands","Inorganic Chemistry","2007","46","","1634","1644","10.1021/ic061867m","","","0.71069","MoKα","","0.0361","0.0274","","","0.0651","0.0689","","","","","","1.069","","","","has coordinates,has disorder","179111","2020-10-21","18:00:00",""
"4307368","17.0679","0.0004","25.6998","0.0006","20.7428","0.0004","90","","90","","90","","9098.7","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H153 I Mo6 N4 O27 -","- C65 H144 I Mo6 N4 O27 -","- C260 H576 I4 Mo24 N16 O108 -","4","0.5","","Daisuke Honda; Shusaku Ikegami; Tomoaki Inoue; Tomoji Ozeki; Atsushi Yagasaki","Protonation and Methylation of an Anderson-Type Polyoxoanion [IMo6O24]5-","Inorganic Chemistry","2007","46","","1464","1470","10.1021/ic061881z","","","0.71073","MoKα","","0.0683","0.041","","","0.1074","0.1278","","","","","","1.016","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307373","21.358","0.002","18.497","0.001","22.614","0.002","90","","90","","90","","8933.9","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis(acetonitrile)di(μ~2~-iodo)(μ~2~-bis(bis(o- methoxyphenyl)phosphino)phenylamine)dicopper(I) acetonitrile solvate","","- C40 H42 Cu2 I2 N4 O8 P2 -","- C40 H42 Cu2 I2 N4 O8 P2 -","- C320 H336 Cu16 I16 N32 O64 P16 -","8","1","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Paulose P. George; Joel T. Mague","Di- and Tetranuclear Copper(I) Complexes Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Their Reactivity toward Bipyridyl Ligands","Inorganic Chemistry","2007","46","","848","858","10.1021/ic061883j","","","0.71073","MoKα","","0.0433","0.0345","","","0.0755","0.0793","","","","","","1.046","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307378","21.648","0.002","23.023","0.002","28.375","0.002","90","","90","","90","","14142","2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","μ-Iodo-μ-(bis(bis(o-methoxyphenoxy)phosphino)phenylamine) -1κP:2κP'-bis(2,2'-bipyridyl)-1κ^2^N,N'; 2κ^2^N,N'- dicopper Iodide Chloroform Solvate","","- C58 H53 Cl12 Cu2 I2 N5 O8 P2 -","- C58 H53 Cl12 Cu2 I2 N5 O8 P2 -","- C464 H424 Cl96 Cu16 I16 N40 O64 P16 -","8","1","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Paulose P. George; Joel T. Mague","Di- and Tetranuclear Copper(I) Complexes Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Their Reactivity toward Bipyridyl Ligands","Inorganic Chemistry","2007","46","","848","858","10.1021/ic061883j","","","0.71073","MoKα","","0.0844","0.0643","","","0.157","0.1702","","","","","","1.076","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307484","9.7482","0.0019","17.553","0.004","34.013","0.007","90","","90","","90","","5820","2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H38 B N2 P -","- C34 H38 B N2 P -","- C272 H304 B8 N16 P8 -","8","1","","Gregor Reeske; Alan H. Cowley","One-Step Redox Route to N-Heterocyclic Phosphenium Ions","Inorganic Chemistry","2007","46","","1426","1430","10.1021/ic061956z","","","0.71073","MoKα","","0.113","0.0672","","","0.1755","0.2051","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4307503","12.2611","0.0006","15.8967","0.0008","16.5101","0.0009","90","","90","","90","","3218","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H23 Fe N6 O4 -","- C13 H23 Fe N6 O4 -","- C104 H184 Fe8 N48 O32 -","8","1","","Yu-Fei Song; John F. Berry; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Iron Complexes of New Pentadentate Ligands Containing the 1,4,7-Triazacyclononane-1,4-diacetate Motif. Spectroscopic, Electro-, and Photochemical Studies","Inorganic Chemistry","2007","46","","2208","2219","10.1021/ic062001j","","","0.71073","MoKα","","0.0738","0.0444","","","0.0902","0.1022","","","","","","1.064","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307536","9.312","0.003","18.545","0.017","20.892","0.012","90","","90","","90","","3608","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[8-(2'-oxyphenyl)-3-methyl-1-phenyl-6-thiomethyl-1-one-4,5,7- triazaocta-1,3,5,7-tetraenato(-)-2'-olato(-)O,O',N4N7]copper(II)","","- C19 H17 Cu N3 O2 S -","- C19 H17 Cu N3 O2 S -","- C152 H136 Cu8 N24 O16 S8 -","8","1","","Julieta Gradinaru; Alessandra Forni; Vadim Druta; Francesca Tessore; Sandro Zecchin; Silvio Quici; Nicolae Garbalau","Structural, Spectral, Electric-Field-Induced Second Harmonic, and Theoretical Study of Ni(II), Cu(II), Zn(II), and VO(II) Complexes with [N2O2] Unsymmetrical Schiff Bases of S-Methylisothiosemicarbazide Derivatives","Inorganic Chemistry","2007","46","","884","895","10.1021/ic062035r","","","0.8","synchrotron","","0.0376","0.0306","","","0.0831","0.089","","","","","","1.092","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307539","24.95","0.03","7.615","0.003","26.77","0.03","90","","90","","90","","5086","9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[8-(2'-oxy-5'-phenylazo-phenyl)-3-methyl-1-phenyl-6-thiomethyl-1-one-4,5,7- triazaocta-1,3,5,7-tetraenato(-)-2'-olato(-)O,O',N4N7]zinc(II)","","- C26 H25 N5 O3 S Zn -","- C26 H25 N5 O3 S Zn -","- C208 H200 N40 O24 S8 Zn8 -","8","1","","Julieta Gradinaru; Alessandra Forni; Vadim Druta; Francesca Tessore; Sandro Zecchin; Silvio Quici; Nicolae Garbalau","Structural, Spectral, Electric-Field-Induced Second Harmonic, and Theoretical Study of Ni(II), Cu(II), Zn(II), and VO(II) Complexes with [N2O2] Unsymmetrical Schiff Bases of S-Methylisothiosemicarbazide Derivatives","Inorganic Chemistry","2007","46","","884","895","10.1021/ic062035r","","","0.7","synchrotron","","0.0793","0.0672","","","0.1737","0.1795","","","","","","1.212","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307610","17.2591","0.0007","20.7769","0.0009","20.954","0.0009","90","","90","","90","","7513.9","0.6","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BisRhssCab","","","- C54 H82 B20 N2 Rh2 S4 -","- C54 H82 B20 N2 Rh2 S4 -","- C216 H328 B80 N8 Rh8 S16 -","4","0.5","","Jong Hyub Paek; Kyu Ho Song; Il Jung; Sang Ook Kang; Jaejung Ko","Organometallic Fragments Coordinated to a Multiisocyanide Ligand and Their Physical Properties","Inorganic Chemistry","2007","46","","2787","2796","10.1021/ic0620900","","","0.71073","MoKα","","0.0544","0.0408","","","0.1207","0.1285","","","","","","1.144","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307639","16.404","0.003","13.744","0.003","16.728","0.003","90","","90","","90","","3771.4","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cr(B3H8)2(PMe3)2","","","- C6 H34 B6 Cr P2 -","- C6 H34 B6 Cr P2 -","- C48 H272 B48 Cr8 P16 -","8","1","","Dean M. Goedde; G. Kenneth Windler; Gregory S. Girolami","Synthesis and Characterization of the Homoleptic Octahydrotriborate Complex Cr(B3H8)2 and Its Lewis Base Adducts","Inorganic Chemistry","2007","46","","2814","2823","10.1021/ic0621300","","","0.71073","MoKα","","0.0735","0.0349","","","0.074","0.0842","","","","","","0.936","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307676","19.856","0.004","18.17","0.004","20.189","0.004","90","","90","","90","","7284","3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H56 Cl2 N3 Sb -","- C37 H56 Cl2 N3 Sb -","- C296 H448 Cl16 N24 Sb8 -","8","1","","Shaun P. Green; Cameron Jones; Guoxia Jin; Andreas Stasch","Base-Stabilized Amidodiarsenes: Synthesis, Structure, and Theoretical Studies","Inorganic Chemistry","2007","46","","8","10","10.1021/ic062163f","","","0.71073","MoKα","","0.0417","0.0299","","","0.064","0.0688","","","","","","1.014","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307677","19.643","0.004","18.352","0.004","21.162","0.004","90","","90","","90","","7629","3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H56 I2 N3 Sb -","- C37 H56 I2 N3 Sb -","- C296 H448 I16 N24 Sb8 -","8","1","","Shaun P. Green; Cameron Jones; Guoxia Jin; Andreas Stasch","Base-Stabilized Amidodiarsenes: Synthesis, Structure, and Theoretical Studies","Inorganic Chemistry","2007","46","","8","10","10.1021/ic062163f","","","0.71073","MoKα","","0.0475","0.0324","","","0.0623","0.0668","","","","","","1.035","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307738","14.037","0.008","18.297","0.006","13.928","0.008","90","","90","","90","","3577","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cl2 Cu N6 O6 -","- C30 H46 Cl2 Cu N6 O6 -","- C120 H184 Cl8 Cu4 N24 O24 -","4","0.5","","Marcello Gennari; Matteo Tegoni; Maurizio Lanfranchi; Maria Angela Pellinghelli; Luciano Marchiò","A New Chiral N,N',O-Donor Heteroscorpionate Ligand. Structures of Ni2+, Cu2+, Zn2+ Complexes and Study of Solution Equilibria by Means of 1H NMR/UV-Vis Titrations and EXSY NMR Spectroscopy","Inorganic Chemistry","2007","46","","3367","3377","10.1021/ic062228e","","","0.71073","MoKα","","0.1291","0.0419","","","0.065","0.0783","","","","","","1.004","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307765","14.7644","0.0002","18.0753","0.0002","26.8753","0.0003","90","","90","","90","","7172.24","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H48 B Fe N12 -","- C31 H48 B Fe N12 -","- C248 H384 B8 Fe8 N96 -","8","1","","Zhi-Guo Gu; Wei Liu; Qiao-Fang Yang; Xin-Hui Zhou; Jing-Lin Zuo; Xiao-Zeng You","Cyano-Bridged FeIII2CuII3 and FeIII4NiII4 Complexes: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2007","46","","3236","3244","10.1021/ic062267q","","","0.71073","MoKα","","0.0782","0.044","","","0.1111","0.1267","","","","","","1.057","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307770","9.9639","0.0008","9.7061","0.0008","14.1313","0.0009","90","","90","","90","","1366.65","0.18","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 Zn -","- C4 H6 N6 Zn -","- C32 H48 N48 Zn8 -","8","1","","Wayne Ouellette; Bruce S. Hudson; Jon Zubieta","Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems","Inorganic Chemistry","2007","46","","4887","4904","10.1021/ic062269a","","x-ray","0.71073","MoKα","","0.0618","0.046","","","0.108","0.1161","","","","","","1.06","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307850","12.7769","0.0003","13.3958","0.0002","26.6395","0.0006","90","","90","","90","","4559.53","0.16","293","","293","","","","","","","","?","7","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Cl F6 N2 Os P -","- C22 H22 Cl F6 N2 Os P -","- C176 H176 Cl8 F48 N16 Os8 P8 -","8","1","","Anna F. A. Peacock; Abraha Habtemariam; Stephen A. Moggach; Alessandro Prescimone; Simon Parsons; Peter J. Sadler","Chloro Half-Sandwich Osmium(II) Complexes: Influence of Chelated N,N-Ligands on Hydrolysis, Guanine Binding, and Cytotoxicity","Inorganic Chemistry","2007","46","","4049","4059","10.1021/ic062350d","","","0.71073","MoKα","","0.048","0.0255","","0.0655","0.0597","0.0655","","","","","","0.599","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307914","14.547","0.003","15.511","0.003","18.591","0.004","90","","90","","90","","4194.8","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H33 B10 Co -","- C15 H33 B10 Co -","- C120 H264 B80 Co8 -","8","1","","Liang Deng; Hoi-Shan Chan; Zuowei Xie","Synthesis, Structure, Reactivity, and Thermal Isomerization of Boron-Substituted 13-Vertex Cobaltacarboranes (η5-Cp)Co(η6-R2C2B10Me8H2) (R = H, Et)","Inorganic Chemistry","2007","46","","2716","2724","10.1021/ic062423t","","","0.71073","MoKα","","0.1976","0.0582","","","0.1348","0.1823","","","","","","0.975","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4307924","18.1999","0.0008","17.0313","0.0005","26.7503","0.0009","90","","90","","90","","8291.7","0.5","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H42 Cl4 Cu2 N12 O20 -","- C25 H42 Cl4 Cu2 N12 O20 -","- C200 H336 Cl32 Cu16 N96 O160 -","8","1","","Angelina Prokofieva; Alexander I. Prikhod'ko; Eva Anna Enyedy; Etelka Farkas; Walter Maringgele; Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Oligonuclear Copper Complexes of a Bioinspired Pyrazolate-Bridging Ligand: Synthesis, Structures, and Equilibria in Solution","Inorganic Chemistry","2007","46","","4298","4307","10.1021/ic062434m","","","0.71073","MoKα","","0.0806","0.0481","","","0.11","0.1211","","","","","","1.005","","","","has coordinates,has disorder","179117","2020-10-21","18:00:00",""
"4308106","8.919","0.002","19.849","0.004","20.229","0.004","90","","90","","90","","3581.2","1.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(alpha-picolylamino)-7,12-dihydroindolo[3,2-d][1]benzazepine","","- C22 H18 N4 -","- C22 H18 N4 -","- C176 H144 N32 -","8","1","","Wolfgang F. Schmid; Stefanie Zorbas-Seifried; Roland O. John; Vladimir B. Arion; Michael A. Jakupec; Alexander Roller; Markus Galanski; Ion Chiorescu; Haralabos Zorbas; Bernhard K. Keppler","The First Ruthenium-Based Paullones: Syntheses, X-ray Diffraction Structures, and Spectroscopic and Antiproliferative Properties in Vitro","Inorganic Chemistry","2007","46","","3645","3656","10.1021/ic070098j","","","0.71073","MoKα","","0.0603","0.0419","","","0.1027","0.1118","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308114","14.1","0.0005","27.5165","0.0011","54.844","0.002","90","","90","","90","","21278.5","1.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H78 N6 O3 P Yb -","- C51 H78 N6 O3 P Yb -","- C816 H1248 N96 O48 P16 Yb16 -","16","2","","Xiaoping Xu; Yingming Yao; Yong Zhang; Qi Shen","Synthesis, Reactivity, and Structural Characterization of Sodium and Ytterbium Complexes Containing New Imidazolidine-Bridged Bis(phenolato) Ligands","Inorganic Chemistry","2007","46","","3743","3751","10.1021/ic0701054","","","0.7107","MoKα","","0.0797","0.0621","","","0.1226","0.1295","","","","","","1.141","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308123","18.108","0.003","18.952","0.003","55.483","0.01","90","","90","","90","","19041","6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H71 B2 Cu2 F48 N8 O2 -","- C90 H71 B2 Cu2 F48 N8 O2 -","- C720 H568 B16 Cu16 F384 N64 O16 -","8","1","","Anna Company; Laura Gómez; Rubén Mas-Ballesté; Ivan V. Korendovych; Xavi Ribas; Albert Poater; Teodor Parella; Xavier Fontrodona; Jordi Benet-Buchholz; Miquel Solà; Que, Jr., Lawrence; Elena V. Rybak-Akimova; Miquel Costas","Fast O2 Binding at Dicopper Complexes Containing Schiff-Base Dinucleating Ligands","Inorganic Chemistry","2007","46","","4997","5012","10.1021/ic0701108","","","0.71073","MoKα","","0.2574","0.1199","","","0.2909","0.3706","","","","","","1.038","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308158","20.3656","0.0009","17.0378","0.0007","35.8373","0.0016","90","","90","","90","","12435","0.9","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C61 H87 Au Cl N2 O5 P Pt S2 -","- C61 H87 Au Cl N2 O5 P Pt S2 -","- C488 H696 Au8 Cl8 N16 O40 P8 Pt8 S16 -","8","1","","José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista","Synthesis, Structure, and Luminescence of Di- and Trinuclear Palladium/Gold and Platinum/Gold Complexes with (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate,1","Inorganic Chemistry","2007","46","","4718","4732","10.1021/ic070164h","","","0.71073","MoKα","","0.0253","0.0207","","","0.0462","0.0477","","","","","","1.06","","","","has coordinates,has disorder","179119","2020-10-21","18:00:00",""
"4308252","18.0588","0.0005","19.8587","0.0006","25.4792","0.0008","90","","90","","90","","9137.5","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C120 H188 Cl20 Cr28 N36 O56 -","- C120 H188 Cl20 Cr28 N36 O56 -","- C240 H376 Cl40 Cr56 N72 O112 -","2","0.25","","Rachel Shaw; Rebecca H. Laye; Leigh F. Jones; David M. Low; Caytie Talbot-Eeckelaers; Qiang Wei; Constantinos J. Milios; Simon Teat; Madeleine Helliwell; James Raftery; Marco Evangelisti; Marco Affronte; David Collison; Euan K. Brechin; Eric J. L. McInnes","1,2,3-Triazolate-Bridged Tetradecametallic Transition Metal Clusters [M14(L)6O6(OMe)18X6] (M = FeIII, CrIII and VIII/IV) and Related Compounds: Ground-State Spins Ranging from S=0 to S=25 and Spin-Enhanced Magnetocaloric Effect","Inorganic Chemistry","2007","46","","4968","4978","10.1021/ic070320k","","","0.71073","MoKα","","0.0903","0.0542","","","0.1456","0.1693","","","","","","1.063","","","","has coordinates,has disorder","194037","2020-10-21","18:00:00",""
"4308274","14.8324","0.0007","14.613","0.0007","23.0893","0.0011","90","","90","","90","","5004.5","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H24 B2 Mg N2 -","- C6 H24 B2 Mg N2 -","- C96 H384 B32 Mg16 N32 -","16","2","","Grigorii L. Soloveichik; Matthew Andrus; Emil B. Lobkovsky","Magnesium Borohydride Complexed by Tetramethylethylenediamine","Inorganic Chemistry","2007","46","","3790","3791","10.1021/ic700376n","","","0.71073","MoKα","","0.0648","0.0386","","","0.1026","0.1129","","","","","","1.051","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4308352","14.97","0.001","21.633","0.003","23.159","0.003","90","","90","","90","","7499.9","1.5","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H38 Cl N4 O11 Zn2 -","- C38 H36 Cl N4 O11 Zn2 -","- C304 H288 Cl8 N32 O88 Zn16 -","8","1","","Bula Dutta; Pradip Bag; Ulrich Flörke; Kamalaksha Nag","Dinuclear Zinc(II) Complexes of Tetraiminodiphenol Macrocycles and Their Interactions with Carboxylate Anions and Amino Acids. Photoluminescence, Equilibria, and Structure","Inorganic Chemistry","2005","44","","147","157","10.1021/ic049056a","","","0.71073","MoKα","","0.2588","0.0758","","","0.1555","0.2524","","","","","","0.872","","","","has coordinates,has disorder","179121","2020-10-21","18:00:00",""
"4308359","17.02","0.001","15.989","0.001","20.364","0.002","90","","90","","90","","5541.7","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","04216","","","- C36 H30 Fe N2 O2 -","- C36 H30 Fe N2 O2 -","- C288 H240 Fe8 N16 O16 -","8","1","","Crisp, Jeffrey A.; Meredith, M. Brett; Hanusa, Timothy P.; Wang, Guangbin; Brennessel, William W.; Yee, Gordon T.","Bis(1,2,3-trimethylindenyl)iron(III) 2,3-Dicyanonaphtho-1,4-quinonide, a Non-Metallocene, Charge-Transfer Salt Metamagnet with Complementary Donor‒Acceptor Geometries","Inorganic Chemistry","2005","44","2","172","174","10.1021/ic048398d","","","0.71073","MoKα","","0.1472","0.058","","","0.1174","0.1664","","","","","","1.055","","","","has coordinates","210156","2020-10-21","18:00:00",""
"4308522","13.518","0.008","18.87","0.01","21.64","0.01","90","","90","","90","","5520","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","02268","","","- C58 H54 Cl2 Fe2 N8 O10 -","- C58 H54 Cl2 Fe2 N8 O10 -","- C232 H216 Cl8 Fe8 N32 O40 -","4","0.5","","Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que","Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation","Inorganic Chemistry","2005","44","","85","99","10.1021/ic0485312","","","0.71073","MoKα","","0.072","0.0587","","","0.1066","0.1132","","","","","","1.022","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308535","23.1334","0.0004","15.9039","0.0002","25.6396","0.0004","90","","90","","90","","9433.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C54 H60 O4 Zn2 -","- C54 H60 O4 Zn2 -","- C432 H480 O32 Zn16 -","8","1","","Diane A. Dickie; Michael C. Jennings; Hilary A. Jenkins; Jason A. C. Clyburne","A Zinc Carboxylate Network Containing Metal Sites with Low Coordination Numbers","Inorganic Chemistry","2005","44","","828","830","10.1021/ic048443h","","","0.71073","MoKα","","0.1058","0.0465","","","0.0949","0.1109","","","","","","1.015","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308650","21.394","0.001","17.385","0.001","42.384","0.002","90","","90","","90","","15764.1","1.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H34 O4.5 P2 S2 W -","- C44 H34 O4.5 P2 S2 W -","- C704 H544 O72 P32 S32 W16 -","16","2","","Wolfgang Petz; Christian Kutschera; Maya Heitbaum; Gernot Frenking; Ralf Tonner; Bernhard Neumüller","Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W)","Inorganic Chemistry","2005","44","","1263","1274","10.1021/ic048397l","","","0.71073","MoKα","","0.0943","0.0497","","","0.0953","0.1088","","","","","","0.969","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4308700","20.13","0.006","16.367","0.005","26.234","0.008","90","","90","","90","","8643","5","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(17) Dy(DBP)3(THF)","","","- C46 H71 Dy O4 -","- C46 H71 Dy O4 -","- C368 H568 Dy8 O32 -","8","1","","Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot","Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films","Inorganic Chemistry","2005","44","","1588","1600","10.1021/ic048550b","","","0.71073","MoKα","","0.079","0.0539","","","0.1067","0.1159","","","","","","1.096","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308720","13.5406","0.0017","10.8441","0.0014","27.725","0.004","90","","90","","90","","4071","0.9","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cu F6 N4 O6 S2 -","- C10 H12 Cu F6 N4 O6 S2 -","- C80 H96 Cu8 F48 N32 O48 S16 -","8","1","","Japhet Irangu; Michael J. Ferguson; Robert B. Jordan","Reaction of Copper(II) with Ferrocene and 1,1'-Dimethylferrocene in Aqueous Acetonitrile: The Copper(II/I) Self-Exchange Rate","Inorganic Chemistry","2005","44","","1619","1625","10.1021/ic048614i","","","0.71073","MoKα","","0.0471","0.0391","","","0.1032","0.1083","","","","","","1.04","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308740","9.1271","0.0018","8.746","0.002","13.225","0.01","90","","90","","90","","1055.7","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- B2 Cd F8 -","- B2 Cd F8 -","- B16 Cd8 F64 -","8","1","","Gašper Tavčar; Boris Žemva","XeF2 as a Ligand in a Coordination Compound with the BF4- Anion","Inorganic Chemistry","2005","44","","1525","1529","10.1021/ic048684p","","","0.71069","MoKα","","0.0363","0.0303","","","0.0673","0.072","","","","","","1.207","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308774","15.656","0.002","15.291","0.002","50.912","0.007","90","","90","","90","","12188","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H90 Fe2 N24 Ni3 O12 -","- C36 H66 Fe2 N24 Ni3 O12 -","- C288 H528 Fe16 N192 Ni24 O96 -","8","1","","Manas K. Saha; María C. Morón; Fernando Palacio; Ivan Bernal","A New Bimetallic Intercalated 3-D Assembly Magnet [{(323)Ni}3{FeIII(CN)6}2]n.12nH2O (323 =N,N'-Bis(3-aminopropyl) Ethylenediamine): An Unprecedented Concomitant Presence of Meridional and Facial Arrangment of Ferricyanide Anion","Inorganic Chemistry","2005","44","","1354","1361","10.1021/ic048947f","","","0.71073","MoKα","","0.1422","0.0651","","","0.1153","0.1385","","","","","","1.024","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308869","12.522","0.003","24.059","0.005","26.455","0.005","90","","90","","90","","7970","3","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H52 I2 N2 O2 Os -","- C36 H52 I2 N2 O2 Os -","- C288 H416 I16 N16 O16 Os8 -","8","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71073","MoKα","","0.0791","0.0278","","","0.0563","0.0634","","","","","","0.502","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308896","9.3771","0.0002","12.9523","0.0003","18.9065","0.0006","90","","90","","90","","2296.29","0.1","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C3 H11 N2 O10 S2 U -","- C6 H22 N4 O20 S4 U2 -","- C24 H88 N16 O80 S16 U8 -","4","0.5","","Alexander J. Norquist; Michael B. Doran; Dermot O'Hare","The Role of Amine Sulfates in Hydrothermal Uranium Chemistry","Inorganic Chemistry","2005","44","","3837","3843","10.1021/ic0484452","","","0.71073","MoKα","","","0.0243","","","","0.06","","","","","","0.8911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308914","13.156","0.003","7.7171","0.0017","26.148","0.006","90","","90","","90","","2654.7","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Hydrothermal Syntheses and Structures of Two Mixed-valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers","","- C10 H8 Br Cu2 N4 O5 -","- C10 H6 Br Cu2 N4 O5 -","- C80 H48 Br8 Cu16 N32 O40 -","8","1","","Xian-Ming Zhang; Rui-Qin Fang","Hydrothermal Syntheses and Structures of Two Mixed-Valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers","Inorganic Chemistry","2005","44","","3955","3959","10.1021/ic050118m","","","0.71073","MoKα","","0.1033","0.056","","","0.1499","0.1712","","","","","","1.111","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4308948","12.6921","0.0007","11.5593","0.0007","13.095","0.0008","90","","90","","90","","1921.2","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","thorium vanadyl telurate","","","- H4 O12 Te Th V2 -","- O12 Te Th V2 -","- O96 Te8 Th8 V16 -","8","1","","Tyler A. Sullens; Thomas E. Albrecht-Schmitt","Structure and Properties of the Thorium Vanadyl Tellurate, Th(VO2)2(TeO6)(H2O)2","Inorganic Chemistry","2005","44","","2282","2286","10.1021/ic048256j","","","0.71073","MoKα","","0.0267","0.025","","","0.0614","0.0622","","","","","","1.084","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309072","8.2162","0.0006","19.5964","0.0014","38.418","0.003","90","","90","","90","","6185.6","0.8","566","2","566","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-(2-sec-butylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C28 H41 B Mo N6 O3 -","- C28 H32 B Mo N6 O3 -","- C224 H256 B8 Mo8 N48 O24 -","8","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.1448","0.0651","","","0.1458","0.1773","","","","","","0.964","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309073","10.8","0.004","17.992","0.006","29.635","0.01","90","","90","","90","","5758","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-(2,6-dimethylphenolato){hydrotris(3-isopropyl- pyrazol-1-yl)borato}dioxomolybdenum(VI)","","- C26 H37 B Mo N6 O3 -","- C26 H37 B Mo N6 O3 -","- C208 H296 B8 Mo8 N48 O24 -","8","1","","Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young","cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors","Inorganic Chemistry","2005","44","","4506","4514","10.1021/ic050052v","","","0.71073","MoKα","","0.102","0.0815","","","0.1561","0.1644","","","","","","1.26","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309128","20.3535","0.001","13.5503","0.001","21.6302","0.001","90","","90","","90","","5965.5","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H58 B3 O Ti -","- C28 H58 B3 O Ti -","- C224 H464 B24 O8 Ti8 -","8","1","","Errun Ding; Bin Du; Fu-Chen Liu; Shengming Liu; Edward A. Meyers; Sheldon G. Shore","Preparation and Crystal Structures of a Series of Titanium(III) 9-BBN Hydroborate Complexes Containing Ti...H Agostic Interactions","Inorganic Chemistry","2005","44","","4871","4878","10.1021/ic050422f","","","0.71073","MoKα","","0.0798","0.0405","","","0.0859","0.0972","","","","","","1.007","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4309198","8.3524","0.0017","7.9527","0.0016","19.853","0.004","90","","90","","90","","1318.7","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Cl2 N2 S Se Te -","- Cl2 N2 S Se Te -","- Cl16 N16 S8 Se8 Te8 -","8","1","","Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen","Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)","Inorganic Chemistry","2005","44","","4992","5000","10.1021/ic050261f","","","0.71073","MoKα","","0.0421","0.0415","","","0.1256","0.126","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309226","20.592","0.004","17.667","0.004","20.81","0.004","90","","90","","90","","7571","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H41 Cl2 N5 O12 Pb -","- C33 H41 Cl2 N5 O12 Pb -","- C264 H328 Cl16 N40 O96 Pb8 -","8","1","","David Esteban-Gómez; Raquel Ferreirós; Susana Fernández-Martínez; Fernando Avecilla; Carlos Platas-Iglesias; Andrés de Blas; Teresa Rodríguez-Blas","Lateral Macrobicyclic Architectures: Toward New Lead(II) Sequestering Agents","Inorganic Chemistry","2005","44","","5428","5436","10.1021/ic0482032","","","0.71073","MoKα","","0.1093","0.0663","","","0.1666","0.1894","","","","","","0.937","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309233","9.268","0.002","11.039","0.0011","22.333","0.005","90","","90","","90","","2284.9","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Te -","- C9 H12 N4 Te -","- C72 H96 N32 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Heinrich Nöth; Juan Carlos Gálvez-Ruiz; Kurt Polborn; Ingo Schwab; Max Suter","Kinetic and Donor Stabilization of Organotellurenyl Iodides and Azides","Inorganic Chemistry","2005","44","","5254","5265","10.1021/ic048219s","","","0.71073","MoKα","","0.0287","0.0246","","0.0683","0.066","","","","1.11","1.147","1.147","","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309264","9.739","0.005","9.498","0.005","15.94","0.008","90","","90","","90","","1474.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Fe O7 P2 -","- C2 H7 Fe O7 P2 -","- C16 H56 Fe8 O56 P16 -","8","1","","Crystal A. Merrill; Anthony K. Cheetham","Pillared Layered Structures Based upon M(III) Ethylene Diphosphonates: The Synthesis and Crystal Structures of MIII(H2O)(HO3P(CH2)2PO3) (M = Fe, Al, Ga)","Inorganic Chemistry","2005","44","","5273","5277","10.1021/ic0502269","","","0.71073","MoKα","","0.0591","0.0379","","","0.0918","0.0996","","","","","","0.988","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309275","9.885","0.002","9.536","0.002","13.724","0.003","90","","90","","90","","1293.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 Zn -","- C2 H2 N8 Zn -","- C16 H16 N64 Zn8 -","8","1","","Xi-Sen Wang; Yun-Zhi Tang; Xue-Feng Huang; Zhi-Rong Qu; Chi-Ming Che; Philip Wai Hong Chan; Ren-Gen Xiong","Syntheses, Crystal Structures, and Luminescent Properties of Three Novel Zinc Coordination Polymers with Tetrazolyl Ligands","Inorganic Chemistry","2005","44","","5278","5285","10.1021/ic050354x","","","0.71073","MoKα","","0.04","0.0274","","","0.0596","0.063","","","","","","0.918","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309338","14.8766","0.0015","16.2444","0.0017","17.6895","0.0015","90","","90","","90","","4274.9","0.7","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Cl2 N8 O2 Os2 -","- C46 H36 Cl2 N8 O2 Os2 -","- C184 H144 Cl8 N32 O8 Os8 -","4","0.5","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0426","0.0271","","","0.0691","0.0763","","","","","","1.011","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309360","12.891","0.001","21.859","0.002","35.026","0.004","90","","90","","90","","9869.8","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Ce(HDAPBHPSC)2]Cl","Bis(2,6-diacetylpyridine-benzoylhydrazonato-4-phenylsemicarbazone)cerium(III) chlorid","","- C46 H42 Ce Cl N12 O4 -","- C46 H42 Ce Cl N12 O4 -","- C368 H336 Ce8 Cl8 N96 O32 -","8","1","","Alexander Jagst; Agustin Sánchez; Ezequiel M. Vázquez-López; Ulrich Abram","Controlled Ligand Deprotonation in Lanthanide Chelates with Asymmetric Semicarbazone/Benzoylhydrazone or Semicarbazone/Thiosemicarbazone Coordination Spheres","Inorganic Chemistry","2005","44","","5738","5744","10.1021/ic050556t","","","0.71073","MoKα","","0.3008","0.0653","","","0.1146","0.1693","","","","","","0.865","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309388","8.3397","0.0005","18.6714","0.0011","33.578","0.002","90","","90","","90","","5228.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H28 O16 Re Ru2 -","- C16 H28 O16 Re Ru2 -","- C128 H224 O128 Re8 Ru16 -","8","1","","Gema Arribas; M. Carmen Barral; Rodrigo González-Prieto; Reyes Jiménez-Aparicio; J. Luis Priego; M. Rosario Torres; Francisco A. Urbanos","Discrete and Monodimensional Heteropolynuclear Structures Formed by Tetracarboxylatodiruthenium(II,III) and Perrhenato Fragments","Inorganic Chemistry","2005","44","","5770","5777","10.1021/ic050757x","","","0.71073","MoKα","","0.1268","0.0641","","","0.1604","0.1876","","","","","","0.888","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309412","14.843","0.003","13.79","0.003","29.128","0.007","90","","90","","90","","5962","2","173.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H44 Cu Mo N3 O S4 -","- C23 H24 Cu Mo N3 O S4 -","- C184 H192 Cu8 Mo8 N24 O8 S32 -","8","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.0683","","","","0.0929","","","","","","1.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309416","15.047","0.003","14.072","0.002","30.353","0.005","90","","90","","90","","6427","1.9","173.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Cu Mo N2 O S5 -","- C24 H49 Cu Mo N2 O S5 -","- C192 H392 Cu8 Mo8 N16 O8 S40 -","8","1","","Motoki Takuma; Yasuhiro Ohki; Kazuyuki Tatsumi","Sulfido-Bridged Dinuclear Molybdenum-Copper Complexes Related to the Active Site of CO Dehydrogenase: [(dithiolate)Mo(O)S2Cu(SAr)]2- (dithiolate = 1,2-S2C6H4, 1,2-S2C6H2-3,6-Cl2, 1,2-S2C2H4)","Inorganic Chemistry","2005","44","","6034","6043","10.1021/ic050294v","","","0.7107","MoKα","","","0.08","","","","0.0893","","","","","","1.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309422","14.567","0.0012","13.1451","0.0011","14.8647","0.0012","90","","90","","90","","2846.4","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Re(PADA)tricarbony","Tricarbonyl-picolylaminediaceticacid-rhenium","","- C13 H11 N2 O7 Re -","- C13 H11 N2 O7 Re -","- C104 H88 N16 O56 Re8 -","8","1","","Niklaus Marti; Bernhard Spingler; Frank Breher; Roger Schibli","Comparative Studies of Substitution Reactions of Rhenium(I) Dicarbonyl-Nitrosyl and Tricarbonyl Complexes in Aqueous Media","Inorganic Chemistry","2005","44","","6082","6091","10.1021/ic050442h","","","0.71073","MoKα","","0.07","0.0495","","","0.0892","0.0952","","","","","","1.168","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309427","19.487","0.004","13.489","0.003","25.289","0.005","90","","90","","90","","6647","2","253","2","253","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H27 F3 N5 O7 Re S -","- C34 H26 F3 N5 O7 Re S -","- C272 H208 F24 N40 O56 Re8 S8 -","8","1","","Kenneth Kam-Wing Lo; Keith Hing-Kit Tsang; Wai-Ki Hui; Nianyong Zhu","Synthesis, Characterization, Crystal Structure, and Electrochemical, Photophysical, and Protein-Binding Properties of Luminescent Rhenium(I) Diimine Indole Complexes","Inorganic Chemistry","2005","44","","6100","6110","10.1021/ic050531u","","","0.71073","MoKα","","0.0597","0.0433","","","0.1176","0.1229","","","","","","1.028","","","","has coordinates,has disorder","179132","2020-10-21","18:00:00",""
"4309520","13.387","0.002","15.805","0.003","35.961","0.006","90","","90","","90","","7609","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H37 B2 Cu K N7 O6 -","- C32 H37 B2 Cu K N7 O6 -","- C256 H296 B16 Cu8 K8 N56 O48 -","8","1","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.0734","0.0398","","","0.0837","0.0934","","","","","","1.021","","","","has coordinates","288260","2023-12-12","16:08:19",""
"4309521","10.442","0.002","15.998","0.004","25.863","0.006","90","","90","","90","","4320.4","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Ga N4 -","- C20 H31 Ga N4 -","- C160 H248 Ga8 N32 -","8","1","","Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson","Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives","Inorganic Chemistry","2005","44","","6256","6264","10.1021/ic0506153","","","0.71073","MoKα","","0.0488","0.0285","","","0.0779","0.085","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309541","25.4765","0.0014","20.933","0.0011","31.2061","0.0017","90","","90","","90","","16642.2","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C150 H174 Cl8 Mn12 N2 O50 -","- C146 H158 Mn12 N2 O50 -","- C584 H632 Mn48 N8 O200 -","4","0.5","","Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou","[Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure","Inorganic Chemistry","2005","44","","6324","6338","10.1021/ic050868w","","","0.71073","MoKα","","0.1254","0.0642","","","0.1585","0.1819","","","","","","0.921","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309555","17.017","0.003","11.686","0.0008","18.6414","0.0014","90","","90","","90","","3707","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 O9 Ru -","- C18 H15 O9 Ru -","- C144 H120 O72 Ru8 -","8","1","","David C. Kennedy; Adam Wu; Brian O. Patrick; Brian R. James","Tris(pyronato)- and Tris(pyridonato)-ruthenium(III) Complexes and Solution NMR Studies","Inorganic Chemistry","2005","44","","6529","6535","10.1021/ic050034d","","","0.71069","MoKα","","0.0945","0.045","","","0.106","0.1201","","","","","","0.82","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309594","14.7258","0.0002","20.327","0.0002","25.0991","0.0003","90","","90","","90","","7512.95","0.15","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39.5 H35 Cl3 Cu2 N8 -","- C39.5 H35 Cl3 Cu2 N8 -","- C316 H280 Cl24 Cu16 N64 -","8","1","","Jacqueline M. Veauthier; Elisa Tomat; Vincent M. Lynch; Jonathan L. Sessler; Utkir Mirsaidov; John T. Markert","Calix[4]pyrrole Schiff Base Macrocycles: Novel Binucleating Ligands for Cu(I) and Cu(II)","Inorganic Chemistry","2005","44","","6736","6743","10.1021/ic050690d","","","0.71073","MoKα","","0.1135","0.0544","","","0.1125","0.1337","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309714","12.807","0.003","16.145","0.004","17.415","0.004","90","","90","","90","","3600.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H72 N20 O22 Zn4 -","- C68 H72 N20 O22 Zn4 -","- C136 H144 N40 O44 Zn8 -","2","0.25","","Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng","1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide","Inorganic Chemistry","2005","44","","7161","7170","10.1021/ic0509985","","","0.71073","MoKα","","0.0641","0.0467","","","0.0928","0.0957","","","","","","0.976","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309725","8.35","0.01","15.53","0.01","26.16","0.02","90","","90","","90","","3392","5","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(N,N,N',N'-tetramethyl-(1R,2R)-trans-cyclohexanediamine-1κ^2^N,N') (N,N,N',N'-tetramethyl-(1S,2S)-trans-cyclohexanediamine-2κ^2^N,N') (bis(μ-hydroxo-1:2κ^2^O))dicopper(II) bis(trifluoromethanesulfonate)","","- C22 H46 Cu2 F6 N4 O8 S2 -","- C22 H46 Cu2 F6 N4 O8 S2 -","- C88 H184 Cu8 F24 N16 O32 S8 -","4","0.5","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.1154","0.0605","","","0.1583","0.1878","","","","","","1.042","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309747","21.503","0.003","18.071","0.003","25.455","0.004","90","","90","","90","","9891","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H60 Cu3 N7 O7 -","- C46 H60 Cu3 N7 O7 -","- C368 H480 Cu24 N56 O56 -","8","1","","Gellert Mezei; John E. McGrady; Raphael G. Raptis","First Structural Characterization of a Delocalized, Mixed-Valent, Triangular Cu37+ Species: Chemical and Electrochemical Oxidation of a CuII3(μ3-O) Pyrazolate and Electronic Structure of the Oxidation Product","Inorganic Chemistry","2005","44","","7271","7273","10.1021/ic050729e","","","0.71073","MoKα","","0.1156","0.0452","","","0.1097","0.1357","","","","","","0.909","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309798","15.2088","0.0001","18.5883","0.0003","25.7347","0.0002","90","","90","","90","","7275.35","0.14","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Ag F6 N9 O6 P4 -","- C30 H24 Ag F6 N9 O6 P4 -","- C240 H192 Ag8 F48 N72 O48 P32 -","8","1","","Eric W. Ainscough; Andrew M. Brodie; Craig V. Depree; Geoffrey B. Jameson; Carl A. Otter","Polymer Building Blocks: Self-Assembly of Silver(I) Cyclotriphosphazene Cationic Columns","Inorganic Chemistry","2005","44","","7325","7327","10.1021/ic051334y","","","0.71073","MoKα","","0.0349","0.029","","","0.0751","0.08","","","","","","1.139","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309845","16.412","0.003","25.188","0.002","10.088","0.003","90","","90","","90","","4170.2","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H30 As Cl2 N -","- C18 H30 As Cl2 N -","- C144 H240 As8 Cl16 N8 -","8","1","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.5418","CuKα","","0.1551","0.0442","","","0.1169","0.156","","","","","","0.999","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309846","19.771","0.002","19.607","0.002","12.94","0.002","90","","90","","90","","5016.2","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H38 As Cl2 N Si -","- C21 H38 As Cl2 N Si -","- C168 H304 As8 Cl16 N8 Si8 -","8","1","","Neil Burford; T. Stanley Cameron; Charles L. B. Macdonald; Katherine N. Robertson; Robert Schurko; Denise Walsh; Robert McDonald; Roderick E. Wasylishen","Dissociation of 2,4-Bis(2,4,6-tri-tert-butylphenyl)-cyclo-1,3-dipnicta-2,4-diazanes (pnict = P, As, Sb) Imposed by Substituent Steric Strain: A Cyclobutane/Olefin Analogy","Inorganic Chemistry","2005","44","","8058","8064","10.1021/ic050770h","","","1.5418","CuKα","","0.1299","0.0349","","","0.087","0.1138","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4309939","9.6254","0.0018","17.98","0.003","25.131","0.005","90","","90","","90","","4349.3","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H28 N4 Ni3 O12 -","- C44 H28 N4 Ni3 O12 -","- C176 H112 N16 Ni12 O48 -","4","0.5","","Yong Bok Go; Xiqu Wang; Ekaterina V. Anokhina; Allan J. Jacobson","Influence of the Reaction Temperature and pH on the Coordination Modes of the 1,4-Benzenedicarboxylate (BDC) Ligand: A Case Study of the NiII(BDC)/2,2'-Bipyridine System","Inorganic Chemistry","2005","44","","8265","8271","10.1021/ic050644d","","","0.71073","MoKα","","0.059","0.0353","","","0.0716","0.0786","","","","","","1.036","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309953","13.335","0.002","17.244","0.003","36.902","0.005","90","","90","","90","","8486","2","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","S3ZnSEt","","","- C38 H51 B N6 O3 S4 Zn -","- C38 H51 B N6 O3 S4 Zn -","- C304 H408 B8 N48 O24 S32 Zn8 -","8","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.0803","0.0466","","","0.1176","0.1373","","","","","","1.023","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309995","13.487","0.007","8.331","0.004","7.827","0.004","90","","90","","90","","879.4","0.8","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Cu0.5 H3 O6 P -","- B Cu0.5 H3 O6 P -","- B8 Cu4 H24 O48 P8 -","8","1","","Hengzhen Shi; Min Li; Hejin Tangbo; Aiguo Kong; Bo Chen; Yongkui Shan","A Novel Open-Framework Copper Borophosphate: Cu(H2O)2[B2P2O8(OH)2]","Inorganic Chemistry","2005","44","","8179","8181","10.1021/ic0511773","","","0.7107","MoKα","","0.0222","0.022","","","0.0538","0.0539","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309997","11.944","0.002","12.122","0.002","28.012","0.006","90","","90","","90","","4055.7","1.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H20 F6 N P Pt S3 -","- C17 H20 F6 N P Pt S3 -","- C136 H160 F48 N8 P8 Pt8 S24 -","8","1","","Daron E. Janzen; Larry F. Mehne; Donald G. VanDerveer; Gregory J. Grant","Cationic Five-Coordinate PtII Complexes as Donors in the Formation of Pt\ρightarrowAg Dative Bonds","Inorganic Chemistry","2005","44","","8182","8184","10.1021/ic0511874","","","0.71073","MoKα","","0.047","0.0422","","","0.0803","0.0819","","","","","","1.215","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4310018","19.426","0.002","18.163","0.003","21.435","0.004","90","","90","","90","","7563","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(triethylsulfonium) hexaiodoneodymate","Tris(triethylsulfonium) hexaiodoneodymate","","- C18.2 H30 I6 Nd S3 -","- C18 I6 Nd S3 -","- C144 I48 Nd8 S24 -","8","1","","Arash Babai; Anja-Verena Mudring","Rare-Earth Iodides in Ionic Liquids: The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)","Inorganic Chemistry","2005","44","","8168","8169","10.1021/ic051533h","","","0.71073","MoKα","","0.4693","0.0926","","","0.1589","0.3147","","","","","","0.572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310019","19.3679","0.001","18.0707","0.0007","21.1647","0.0008","90","","90","","90","","7407.5","0.6","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(triethylsulfonium) hexaiodosamarate","Tris(triethylsulfonium) hexaiodosamarate","","- C18.2 H30 I6 S3 Sm -","- C18 H45 I6 S3 Sm -","- C144 H360 I48 S24 Sm8 -","8","1","","Arash Babai; Anja-Verena Mudring","Rare-Earth Iodides in Ionic Liquids: The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)","Inorganic Chemistry","2005","44","","8168","8169","10.1021/ic051533h","","","0.71073","MoKα","","0.0906","0.0511","","","0.0765","0.0842","","","","","","0.946","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4310144","14.7441","0.0013","13.4537","0.0012","32.905","0.003","90","","90","","90","","6527.1","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H110 Co2 N12 O15 -","- C59 H110 Co2 N12 O15 -","- C236 H440 Co8 N48 O60 -","4","0.5","","Angela L. Reiff; Eva M. Garcia-Frutos; Jun Mo Gil; Oren P. Anderson; Louis S. Hegedus","Synthesis and Properties of Cobalt(III) Complexes of 4-Substituted Pyridine-Capped Dioxocyclams","Inorganic Chemistry","2005","44","","9162","9174","10.1021/ic050200h","","","0.71073","MoKα","","0.1011","0.0606","","","0.1323","0.1531","","","","","","0.945","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310146","18.457","0.006","16.262","0.005","21.388","0.006","90","","90","","90","","6420","3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Cl2 Co N4 O3 S4 -","- C29 H30 Cl2 Co N4 O3 S4 -","- C232 H240 Cl16 Co8 N32 O24 S32 -","8","1","","Benlai Wu; Daqiang Yuan; Benyong Lou; Lei Han; Caiping Liu; Chunxi Zhang; Maochun Hong","Dynamic Formation of Coordination Polymers versus Tetragonal Prisms and Unexpected Magnetic Superexchange Coupling Mediated by Encapsulated Anions in the Cobalt(II) 1,3-Bis(pyrid-4-ylthio)propan-2-one Series","Inorganic Chemistry","2005","44","","9175","9184","10.1021/ic050455v","","","0.71073","MoKα","","0.0677","0.062","","","0.1364","0.1396","","","","","","1.166","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4310156","14.815","0.001","22.851","0.001","25.554","0.001","90","","90","","90","","8651","0.8","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48.5 H41 Cl Mn O3 P3 S2 -","- C48 H40 Mn O3 P3 S2 -","- C384 H320 Mn8 O24 P24 S16 -","8","1","","Marjolaine Doux; Nicolas Mézailles; Louis Ricard; Pascal Le Floch; Pedro D. Vaz; Maria José Calhorda; Taasje Mahabiersing; František Hartl","Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertible fac- and mer-[Mn(SPS)(CO)3] Isomers Containing a Flexible SPS-Based Pincer Ligand","Inorganic Chemistry","2005","44","","9213","9224","10.1021/ic050774m","","","0.71069","MoKα","","0.0665","0.0468","","","0.13","0.1394","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310225","15.8519","0.0015","12.5941","0.0012","28.328","0.003","90","","90","","90","","5655.4","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 N6 Ni O10 -","- C24 H38 N6 Ni O10 -","- C192 H304 N48 Ni8 O80 -","8","1","","Carlos Platas-Iglesias; Lea Vaiana; David Esteban-Gómez; Fernando Avecilla; José Antonio Real; Andrés de Blas; Teresa Rodríguez-Blas","Electronic Structure Study of Seven-Coordinate First-Row Transition Metal Complexes Derived from 1,10-Diaza-15-crown-5: A Successful Marriage of Theory with Experiment","Inorganic Chemistry","2005","44","","9704","9713","10.1021/ic051119h","","","0.71073","MoKα","","0.0979","0.0567","","","0.1538","0.1849","","","","","","1.026","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310233","16.754","0.014","20.074","0.017","25.08","0.02","90","","90","","90","","8435","12","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H56 N5 O5 Re S4 -","- C30 H56 N5 O5 Re S4 -","- C240 H448 N40 O40 Re8 S32 -","8","1","","Tobias K. Heinrich; Werner Kraus; Hans-Jürgen Pietzsch; Sepp Seifert; Christoph Smuda; Hartmut Spies","Novel Rhenium Chelate System Derived from Dimercaptosuccinic Acid for the Selective Labeling of Biomolecules","Inorganic Chemistry","2005","44","","9930","9937","10.1021/ic051148s","","","0.71073","MoKα","","0.1902","0.0702","","","0.1363","0.1594","","","","","","0.765","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310280","11.511","0.005","18.772","0.005","28.381","0.005","90","0.005","90","0.005","90","0.005","6133","3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Br12 Cs4 Mo6 S2 -","- Br12.103 Cs4 Mo6 S1.897 -","- Br96.824 Cs32 Mo48 S15.176 -","8","1","","Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin","Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)","Inorganic Chemistry","2004","43","","219","226","10.1021/ic034443q","","x-ray","0.71069","MoKα","","","0.0564","","","","0.1536","","","","","","0.953","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310281","11.624","0.005","18.944","0.005","28.487","0.005","90","","90","","90","","6273","3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Br12 Cs4 Mo6 Se2 -","- Br14 Cs3.93 Mo6 -","- Br112 Cs31.44 Mo48 -","8","1","","Stéphane Cordier; Nikolaï G. Naumov; Diala Salloum; Frédéric Paul; Christiane Perrin","Synthesis and Characterization of Mo6 Chalcobromides and Cyano-Substituted Compounds Built from a Novel [(Mo6Bri6Yi2)La6]n- Discrete Cluster Unit (Yi= S or Se and La= Br or CN)","Inorganic Chemistry","2004","43","","219","226","10.1021/ic034443q","","x-ray","0.71069","MoKα","","","0.0501","","","","0.1303","","","","","","0.998","","","","has coordinates","179141","2020-10-21","18:00:00",""
"4310319","18.428","0.006","11.066","0.004","20.899","0.006","90","","90","","90","","4262","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Cd3 N22 S6 -","- C22 H32 Cd3 N22 S6 -","- C88 H128 Cd12 N88 S24 -","4","0.5","","Long Yi; Bin Ding; Bin Zhao; Peng Cheng; Dai-Zheng Liao; Shi-Ping Yan; Zong-Hui Jiang","Novel Triazole-Bridged Cadmium Coordination Polymers Varying from Zero- to Three-Dimensionality","Inorganic Chemistry","2004","43","","33","43","10.1021/ic0348244","","","0.71073","MoKα","","0.0871","0.059","","","0.1187","0.1329","","","","","","1.096","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310334","20.766","0.004","17.801","0.003","25.945","0.005","90","","90","","90","","9591","3","298","2","298","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H25 D12 F15 N2 O2 P Pt Rh -","- C48 H25 D12 F15 N2 O2 P Pt Rh -","- C384 H200 D96 F120 N16 O16 P8 Pt8 Rh8 -","8","1","","Juan A. Casares; Pablo Espinet; José M. Martín-Alvarez; Verónica Santos","Anionic Platinum Complexes with 2-Pyridylphosphines as Ligands for Rhodium: Synthesis of Zwitterionic Pt-Rh Organometallic Compounds","Inorganic Chemistry","2004","43","","189","197","10.1021/ic034863f","","","0.71073","MoKα","","0.1079","0.0411","","","0.0761","0.1013","","","","","","1.012","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310375","13.9073","0.0009","14.3578","0.0009","15.9653","0.0011","90","","90","","90","","3187.9","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H23 F4 I N2 Pt -","- C10 H23 F4 I N2 Pt -","- C80 H184 F32 I8 N16 Pt8 -","8","1","","Russell P. Hughes; Monique A. Meyer; Mark D. Tawa; Antony J. Ward; Alex Williamson; Arnold L. Rheingold; Lev N. Zakharov","Does α-Fluorination Affect the Structural trans-Influence and Kinetic trans-Effect of an Alkyl Ligand? Molecular Structures of Pd(TMEDA)(CH3)(RF) and a Kinetic Study of the trans to cis Isomerization of Pt(TMEDA)(CH3)2I(RF) [RF= CF2CF3, CFHCF3, CH2CF3]","Inorganic Chemistry","2004","43","","747","756","10.1021/ic030251j","","","0.71073","MoKα","","0.023","0.0218","","","0.0588","0.0597","","","","","","1.026","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310405","19.1548","0.0011","19.6711","0.0011","23.2453","0.0014","90","","90","","90","","8758.7","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H41 Cl2 Ir N2 O P2 -","- C49 H41 Cl2 Ir N2 O P2 -","- C392 H328 Cl16 Ir8 N16 O8 P16 -","8","1","","Rama Acharyya; Falguni Basuli; Ren-Zhang Wang; Thomas C. W. Mak; Samaresh Bhattacharya","Iridium(III) Complexes Formed by O-H and/Or C-H Activation of 2-(Arylazo)phenols","Inorganic Chemistry","2004","43","","704","711","10.1021/ic034785w","","","0.71073","MoKα","","0.1293","0.0398","","","0.0765","0.1041","","","","","","0.906","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310415","11.9978","0.0006","10.7508","0.0008","7.4927","0.0009","90","","90","","90","","966.45","0.14","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 -","- C12 H12 N2 -","- C48 H48 N8 -","4","0.5","","Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White","Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands","Inorganic Chemistry","2004","43","","683","691","10.1021/ic0348401","","","0.71073","MoKα","","0.073","0.045","","0.056","","0.052","","","1.131","","","1.282","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310431","22.471","0.0001","8.726","0.0004","22.9941","0.0005","90","","90","","90","","4508.7","0.2","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 Cl2 N2 P -","- C23 H25 Cl2 N2 P -","- C184 H200 Cl16 N16 P8 -","8","1","","Eric Rivard; Alan J. Lough; Tristram Chivers; Ian Manners","Synthesis of Linear and Cyclic Carbophosphazenes via an Oxidative Chlorination Strategy","Inorganic Chemistry","2004","43","","802","811","10.1021/ic034954c","","","0.71073","MoKα","","0.0907","0.0549","","","0.1292","0.1482","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310467","18.3867","0.0011","20.2465","0.0012","21.232","0.0013","90","","90","","90","","7904","0.8","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H50 Al Cl2 N2 P -","- C41 H50 Al Cl2 N2 P -","- C328 H400 Al8 Cl16 N16 P8 -","8","1","","Neil Burford; Mark D'eon; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Synthesis and Structures of Complexes Demonstrating the Coordinative Versatility of the 2,4-Diimino-3-phosphinopentene Anion (γ-Phosphino-β-diketiminate)","Inorganic Chemistry","2004","43","","734","738","10.1021/ic0351444","","x-ray","0.71073","MoKα","","0.1092","0.0564","","","0.1175","0.138","","","","","","1.007","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310475","15.716","0.007","37.4","0.01","9.236","0.002","90","","90","","90","","5429","3","295.2","","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 B2 Bi Cl N14 -","- C21 B2 Bi Cl N14 -","- C168 B16 Bi8 Cl8 N112 -","8","1","","Christopher A. Dodds; Alan R. Kennedy; John Reglinski; Mark D. Spicer","Pushing the Frontiers of Hard and Soft Scorpionate Chemistry","Inorganic Chemistry","2004","43","","394","395","10.1021/ic035167i","","","0.7107","MoKalpha","","","0.0489","","","0.0495","","","","","1.188","1.188","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310518","11.9203","0.0002","9.6239","0.0003","28.7897","0.0007","90","","90","","90","","3302.75","0.14","150","1","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 B2 N P -","- C15 H24 B2 N P -","- C120 H192 B16 N8 P8 -","8","1","","Cory A. Jaska; Alan J. Lough; Ian Manners","Linear Hybrid Aminoborane/Phosphinoborane Chains: Synthesis, Proton-Hydride Interactions, and Thermolysis Behavior","Inorganic Chemistry","2004","43","","1090","1099","10.1021/ic034938f","","","0.71073","MoKα","","0.0684","0.0405","","","0.0914","0.1038","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310551","6.7351","0.0009","7.554","0.001","27.455","0.004","90","","90","","90","","1396.8","0.3","293","0.2","293","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium Niobium Tellurium Oxide Phosphate","","- Ba Nb O8 P Te -","- Ba Nb O8 P Te -","- Ba8 Nb8 O64 P8 Te8 -","8","1","","Kang Min Ok; Joseph Orzechowski; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of Two New Layered Mixed-Metal Phosphates, BaTeMO4(PO4) (M = Nb5+ or Ta5+)","Inorganic Chemistry","2004","43","","964","968","10.1021/ic0350335","","","0.71073","MoKα","","0.0503","0.0285","","","0.0465","0.0506","","","","","","0.941","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310584","10.6216","0.0005","11.9695","0.0006","17.8084","0.0008","90","","90","","90","","2264.08","0.19","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Np3 O13 Se3 -","- Np3 O13 Se3 -","- Np24 O104 Se24 -","8","1","","Philip M. Almond; Richard E. Sykora; S. Skanthakumar; L. Soderholm; Thomas E. Albrecht-Schmitt","Hydrothermal Synthesis, Structure, and Magnetic Properties of the Mixed-Valent Np(IV)/Np(V) Selenite Np(NpO2)2(SeO3)3","Inorganic Chemistry","2004","43","","958","963","10.1021/ic035241x","","","0.71073","MoKα","","0.0358","0.0291","","","0.0612","0.0632","","","","","","1.104","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310604","6.437","0.0002","17.745","0.001","19.076","0.001","90","0","90","0","90","0","2178.95","0.18","295","2","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H11 Ag N4 -","- C8 H11 Ag N4 -","- C64 H88 Ag8 N32 -","8","1","","Yukihiro Yoshida; Koji Muroi; Akihiro Otsuka; Gunzi Saito; Masahide Takahashi; Toshinobu Yoko","1-Ethyl-3-methylimidazolium Based Ionic Liquids Containing Cyano Groups: Synthesis, Characterization, and Crystal Structure","Inorganic Chemistry","2004","43","","1458","1462","10.1021/ic035045q","","","0.71073","MoK-alpha","","","0.059","","","0.102","","","","","1.866","1.866","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310655","16.4548","0.0012","9.4028","0.0007","21.5332","0.001","90","","90","","90","","3331.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H29 Cl Cu N4 O4 -","- C11 H29 Cl Cu N4 O4 -","- C88 H232 Cl8 Cu8 N32 O32 -","8","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.0873","0.0504","","","0.0985","0.1144","","","","","","1.012","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310685","24.7004","0.0017","18.2764","0.0017","27.586","0.002","90","","90","","90","","12453.3","1.7","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H71 Cl6 N3 O6 Ru3 -","- C64 H71 Cl6 N3 O6 Ru3 -","- C512 H568 Cl48 N24 O48 Ru24 -","8","1","","Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin","Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes","Inorganic Chemistry","2004","43","","1609","1617","10.1021/ic035328i","","","0.71073","MoKα","","0.0801","0.0531","","","0.1327","0.1529","","","","","","1.105","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310710","10.8947","0.0013","20.343","0.002","22.833","0.003","90","","90","","90","","5060.5","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Cl Fe N8 O6 -","- C23 H23 Cl Fe N8 O6 -","- C184 H184 Cl8 Fe8 N64 O48 -","8","1","","Gilles Lemercier; Etienne Mulliez; Chantal Brouca-Cabarrecq; Françoise Dahan; Jean-Pierre Tuchagues","Iron(II) Carboxylate Complexes Based on a Tetraimidazole Ligand as Models of the Photosynthetic Non-Heme Ferrous Sites: Synthesis, Crystal Structure, and Mössbauer and Magnetic Studies","Inorganic Chemistry","2004","43","","2105","2113","10.1021/ic034907k","","","0.71073","MoKα","","0.0431","0.0383","","","0.0927","0.0931","","","","","","0.847","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310736","5.7457","","5.8679","","7.6946","","90","","90","","90","","259.425","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd Se2 -","- Pd Se2 -","- Pd4 Se8 -","4","0.5","","C. Soulard; X. Rocquefelte; P.-E. Petit; M. Evain; S. Jobic; J.-P. Itié; P. Munsch; H.-J. Koo; M.-H. Whangbo","Experimental and Theoretical Investigation on the Relative Stability of the PdS2- and Pyrite-Type Structures of PdSe2","Inorganic Chemistry","2004","43","","1943","1949","10.1021/ic0352396","","","0.71069","MoKα","","0.0304","0.0176","","","0.0472","0.0527","","","","0.94","0.94","0.93","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4310744","10.5134","0.0019","10.87","0.002","15.348","0.003","90","","90","","90","","1754","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C72 H96 N16 O8 -","8","1","","Chia-Fu Tsai; Hsing-Jen Chen; Jr-Chiuan Chang; Cheng-Hsiang Hung; Chun-Chia Lai; Ching-Han Hu; Jui-Hsien Huang","Metal-Induced Coordination Inversion and Carbon-Nitrogen Bond Rearrangement. Structurally Characterized Phenyl Isocyanate Inserted into Aluminum Methyl Compounds and O- and N-Bound Aluminum Compounds","Inorganic Chemistry","2004","43","","2183","2188","10.1021/ic035261z","","","0.71073","MoKα","","0.1614","0.0816","","","0.1827","0.2299","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310832","9.406","0.002","12.07","0.003","24.719","0.005","90","","90","","90","","2806.4","1.1","122","2","122","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H19 Cl4 Co N4 Zn -","- C5 H19 Cl4 Co N4 Zn -","- C40 H152 Cl32 Co8 N32 Zn8 -","8","1","","Pauli Kofod; Pernille Harris","NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands","Inorganic Chemistry","2004","43","","2680","2688","10.1021/ic0302682","","","0.71073","MoKα","","0.0448","0.0316","","","0.0757","0.0819","","","","","","1.266","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310860","23.1623","0.0009","12.608","0.0005","37.4151","0.0015","90","","90","","90","","10926.3","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H81 O9 P3 Pt Rh4 -","- C45 H81 O9 P3 Pt Rh4 -","- C360 H648 O72 P24 Pt8 Rh32 -","8","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Jack L. Smith","Platinum-Rhodium Carbonyl Clusters: New Structures and New Types of Dynamical Activity","Inorganic Chemistry","2004","43","","2695","2702","10.1021/ic0353920","","","0.71073","MoKα","","0.0521","0.0331","","","0.077","0.09","","","","","","1.067","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310864","22.868","0.005","15.543","0.003","23.434","0.005","90","","90","","90","","8329","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cu2 N5 O12 Pb -","- C36 H36 Cu2 N5 O12 Pb -","- C288 H288 Cu16 N40 O96 Pb8 -","8","1","","John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire","Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc)","Inorganic Chemistry","2004","43","","2708","2713","10.1021/ic035427w","","","0.71073","MoKα","","0.0847","0.0582","","","0.2004","0.2278","","","","","","1.066","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310896","14.099","0.002","16.125","0.002","22.133","0.005","90","","90","","90","","5031.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl6 Fe2 Re -","- C20 Cl6 Fe2 Re -","- C160 Cl48 Fe16 Re8 -","8","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)","Inorganic Chemistry","2004","43","","3013","3019","10.1021/ic030302c","","","0.71073","MoKα","","0.0973","0.0542","","","0.119","0.1452","","","","","","1.105","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310897","14.317","0.003","16.848","0.003","22.099","0.004","90","","90","","90","","5330.6","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br6 Fe2 Re -","- C20 Br6 Fe2 Re -","- C160 Br48 Fe16 Re8 -","8","1","","Ricardo González; Raúl Chiozzone; Carlos Kremer; Francesca Guerra; Giovanni De Munno; Francesc Lloret; Miguel Julve; Juan Faus","Magnetic Studies on Hexahalorhenate(IV) Salts of Ferrocenium Cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I)","Inorganic Chemistry","2004","43","","3013","3019","10.1021/ic030302c","","","0.71073","MoKα","","0.2422","0.0669","","","0.1342","0.1479","","","","","","0.993","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310920","13.602","0.003","10.525","0.002","17.336","0.004","90","","90","","90","","2481.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-butyl-2,3-dimethylimidazolium hydrogensulfate","","- C9 H17 N2 O4 S -","- C9 H18 N2 O4 S -","- C72 H144 N16 O32 S8 -","8","1","","Philipp Kölle; Richard Dronskowski","Hydrogen Bonding in the Crystal Structures of the Ionic Liquid Compounds Butyldimethylimidazolium Hydrogen Sulfate, Chloride, and Chloroferrate(II,III)","Inorganic Chemistry","2004","43","","2803","2809","10.1021/ic035237l","","","0.71073","MoKα","","0.0694","0.0541","","","0.1346","0.1451","","","","","","1.056","","","","has coordinates","179148","2020-10-21","18:00:00",""
"4311092","6.6688","0.0013","10.048","0.002","17.68","0.004","90","","90","","90","","1184.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs O6 S V -","- Cs O6 S V -","- Cs8 O48 S8 V8 -","8","1","","S. B. Rasmussen; S. Boghosian; K. Nielsen; K. M. Eriksen; R. Fehrmann","Crystal Structure and Spectroscopic Properties of CsVO2SO4","Inorganic Chemistry","2004","43","","3697","3701","10.1021/ic030314y","","","0.71073","MoKα","","0.0271","0.0194","","0.0551","0.0526","","","","1.07","1.164","1.164","","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311124","14.6372","0.0004","6.8642","0.0002","15.503","0.0004","90","","90","","90","","1557.63","0.07","233","2","233","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N4 Na2 Ni O2 Se4 -","- C8 H8 N4 Na2 Ni O2 Se4 -","- C32 H32 N16 Na8 Ni4 O8 Se16 -","4","0.5","","Xavi Ribas; João C. Dias; Jorge Morgado; Klaus Wurst; Isabel C. Santos; Manuel Almeida; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira","Alkaline Side-Coordination Strategy for the Design of Nickel(II) and Nickel(III) Bis(1,2-diselenolene) Complex Based Materials","Inorganic Chemistry","2004","43","","3631","3641","10.1021/ic049860x","","","0.71073","MoKα","","0.0325","0.0293","","","0.0751","0.077","","","","","","1.115","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311179","26.7828","0.0014","9.2886","0.0005","27.1161","0.0014","90","","90","","90","","6745.8","0.6","150","0.2","150","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Ag Cl2 F6 N8 P -","- C29 H30 Ag Cl2 F6 N8 P -","- C232 H240 Ag8 Cl16 F48 N64 P8 -","8","1","","Daniel L. Reger; James R. Gardinier; Mark D. Smith","Tuning the Coordination Geometry of Silver in Bis(pyrazolyl)alkane Complexes","Inorganic Chemistry","2004","43","","3825","3832","10.1021/ic0497174","","","0.71073","MoKα","","0.0618","0.057","","","0.1444","0.148","","","","","","1.11","","","","has coordinates,has disorder","179150","2020-10-21","18:00:00",""
"4311186","9.47","0.002","12.307","0.003","27.311","0.006","90","","90","","90","","3183","1.2","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C4 H17 B2 Cd Cl N3 O13 P3 -","- C4 H17 B2 Cd Cl N3 O13 P3 -","- C32 H136 B16 Cd8 Cl8 N24 O104 P24 -","8","1","","Wei Liu; Minghui Ge; Xinxin Yang; Haohong Chen; Manrong Li; Jingtai Zhao","Hydrothermal Synthesis and Characterization of Two Organically Templated Cadmium Borophosphates with Novel Structures","Inorganic Chemistry","2004","43","","3910","3914","10.1021/ic0498034","","","0.71073","MoKα","","0.0631","0.0359","","","0.0527","0.0581","","","","","","0.829","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311187","9.286","0.003","12.459","0.003","21.626","0.006","90","","90","","90","","2502","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C2 H10 B2 Cd N2 O13 P3 -","- C2 H10 B2 Cd N2 O13 P3 -","- C16 H80 B16 Cd8 N16 O104 P24 -","8","1","","Wei Liu; Minghui Ge; Xinxin Yang; Haohong Chen; Manrong Li; Jingtai Zhao","Hydrothermal Synthesis and Characterization of Two Organically Templated Cadmium Borophosphates with Novel Structures","Inorganic Chemistry","2004","43","","3910","3914","10.1021/ic0498034","","","0.71073","MoKα","","0.0378","0.029","","","0.072","0.0745","","","","","","1.096","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311197","5.1229","0.0003","10.2074","0.0006","14.8233","0.0009","90","","90","","90","","775.13","0.08","150","2","150","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","Calcium Silicon Nitride","Calcium Silicon DiNitride","","- Ca8 N16 Si8 -","- Ca8 N16 Si8 -","- Ca16 N32 Si16 -","2","0.25","","Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke","Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2","Inorganic Chemistry","2004","43","","3998","4006","10.1021/ic049901p","","x-ray","0.71073","MoKα","","0.0781","0.0392","","","0.0851","0.0988","","","","","","1.025","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311226","19.1705","0.001","18.2978","0.001","48.448","0.003","90","","90","","90","","16994.5","1.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H70 Cl2 N8 O11 Zn2 -","- C31 H69 Cl2 N8 O11 Zn2 -","- C496 H1104 Cl32 N128 O176 Zn32 -","16","2","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.068","0.0472","","","0.1035","0.113","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4311251","25.229","0.013","20.655","0.01","33.56","0.016","90","","90","","90","","17488","15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H192 Mn22 N4 O78 -","- C102 H192 Mn22 N4 O78 -","- C408 H768 Mn88 N16 O312 -","4","0.5","","Muralee Murugesu; James Raftery; Wolfgang Wernsdorfer; George Christou; Euan K. Brechin","Synthesis, Structure, and Magnetic Properties of a [Mn22] Wheel-like Single-Molecule Magnet","Inorganic Chemistry","2004","43","","4203","4209","10.1021/ic049620h","","","0.71073","MoKα","","0.2461","0.0819","","","0.2312","0.2747","","","","","","0.947","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311256","14.2119","0.0019","27.294","0.004","29.49","0.004","90","","90","","90","","11439","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H66 B2 N8 O3 P2 Ru -","- C58 H66 B2 N8 O3 P2 Ru -","- C464 H528 B16 N64 O24 P16 Ru8 -","8","1","","Gabriele Albertin; Stefano Antoniutti; Marco Bortoluzzi; Jesus Castro-Fojo; Soledad García-Fontán","Ruthenium Tris(pyrazolyl)borate Diazo Complexes: Preparation of Aryldiazenido, Aryldiazene, and Hydrazine Derivatives","Inorganic Chemistry","2004","43","","4511","4522","10.1021/ic0497275","","","0.71073","MoKα","","0.306","0.0447","","","0.0439","0.0839","","","","","","0.68","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311296","16.6718","0.0008","21.2988","0.001","21.8743","0.0009","90","","90","","90","","7767.3","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H26 B Cu F20 N4 -","- C39 H26 B Cu F20 N4 -","- C312 H208 B8 Cu8 F160 N32 -","8","1","","Hong-Chang Liang; Mark J. Henson; Lanying Q. Hatcher; Michael A. Vance; Christiana Xin Zhang; David Lahti; Susan Kaderli; Roger D. Sommer; Arnold L. Rheingold; Andreas D. Zuberbühler; Edward I. Solomon; Kenneth D. Karlin","Solvent Effects on the Conversion of Dicopper(II) μ-η2:η2-Peroxo to Bis-μ-oxo Dicopper(III) Complexes: Direct Probing of the Solvent Interaction","Inorganic Chemistry","2004","43","","4115","4117","10.1021/ic0498283","","","0.71073","MoKα","","0.0645","0.0345","","","0.0798","0.0883","","","","","","1.018","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311349","15.6476","0.0003","6.5115","0.0002","30.6818","0.0006","90","","90","","90","","3126.15","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 Cu N3 O2 -","- C12 H17 Cl2 Cu N3 O2 -","- C96 H136 Cl16 Cu8 N24 O16 -","8","1","","Nicole Niklas; Frank W. Heinemann; Frank Hampel; Tim Clark; Ralf Alsfasser","The Activation of Tertiary Carboxamides in Metal Complexes: An Experimental and Theoretical Study on the Methanolysis of Acylated Bispicolylamine Copper(II) Complexes","Inorganic Chemistry","2004","43","","4663","4673","10.1021/ic0496774","","","0.71073","MoKα","","0.1319","0.0489","","","0.0827","0.0996","","","","","","0.942","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311357","15.173","0.004","15.173","0.004","19.089","0.005","90","","90","","90","","4395","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cobalt(II) imidazolate","","","- C16 H21 Co2 N9 O -","- C16 H21 Co2 N9 O -","- C128 H168 Co16 N72 O8 -","8","1","","Yun-Qi Tian; Zhen-Xia Chen; Lin-Hong Weng; Hui-Bin Guo; Song Gao; Dong Yuan Zhao","Two Polymorphs of Cobalt(II) Imidazolate Polymers Synthesized Solvothermally by Using One Organic Template N,N-Dimethylacetamide","Inorganic Chemistry","2004","43","","4631","4635","10.1021/ic049713z","","","0.71073","MoKα","","0.1189","0.0562","","","0.1435","0.1575","","","","","","1.015","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311358","15.9712","0.0018","15.9253","0.0019","18.475","0.002","90","","90","","90","","4699","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cobalt(II) imidazolate","","","- C18 H23 Co2 N8 O -","- C18 H23 Co2 N8 O -","- C144 H184 Co16 N64 O8 -","8","1","","Yun-Qi Tian; Zhen-Xia Chen; Lin-Hong Weng; Hui-Bin Guo; Song Gao; Dong Yuan Zhao","Two Polymorphs of Cobalt(II) Imidazolate Polymers Synthesized Solvothermally by Using One Organic Template N,N-Dimethylacetamide","Inorganic Chemistry","2004","43","","4631","4635","10.1021/ic049713z","","","0.71073","MoKα","","0.0981","0.0477","","","0.0612","0.0697","","","","","","1.02","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311380","19.9842","0.0013","17.8132","0.0011","33.699","0.002","90","","90","","90","","11996.3","1.3","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72.95 H56 B Ni P4 -","- C73.1 H56 B Ni P4 -","- C584.8 H448 B8 Ni8 P32 -","8","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0977","0.0573","","","0.0951","0.0981","","","","","","2.299","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311429","9.5104","0.0002","15.1205","0.0003","15.3723","0.0003","90","","90","","90","","2210.57","0.08","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cu2 I2 N6 -","- C16.036 H28.76 Cu2 I2 N6 -","- C64.144 H115.04 Cu8 I8 N24 -","4","0.5","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems","Inorganic Chemistry","2004","43","","5168","5172","10.1021/ic0495970","","x-ray","0.71073","MoKα","","0.045","0.0372","","","0.0964","0.1008","","","","","","1.084","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311457","12.1522","0.0004","11.5983","0.0004","16.3011","0.0005","90","","90","","90","","2297.56","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Ag F3 N3 O3 S -","- C6 H13 Ag F3 N3 O3 S -","- C48 H104 Ag8 F24 N24 O24 S8 -","8","1","","Alexandra L. Pickering; De-Liang Long; Leroy Cronin","Coordination Networks through the Dimensions: From Discrete Clusters to 1D, 2D, and 3D Silver(I) Coordination Polymers with Rigid Aliphatic Amino Ligands","Inorganic Chemistry","2004","43","","4953","4961","10.1021/ic049786i","","","0.71073","MoKα","","0.0961","0.0461","","","0.0694","0.0783","","","","","","1.023","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311472","7.6984","0.0013","22.015","0.004","30.754","0.005","90","","90","","90","","5212.2","1.5","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(PaNPy3)Fe(NO)](ClO4)2^.^CH3CN","","","- C22 H23 Cl2 Fe N7 O10 -","- C22 H23 Cl2 Fe N7 O10 -","- C176 H184 Cl16 Fe8 N56 O80 -","8","1","","Raman K. Afshar; Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivities of {Fe-NO}6 Nitrosyls Derived from Polypyridine-Carboxamide Ligands: Photoactive NO-Donors and Reagents for S-Nitrosylation of Alkyl Thiols","Inorganic Chemistry","2004","43","","5736","5743","10.1021/ic040057c","","","0.71073","MoKα","","0.1813","0.0518","","","0.1031","0.139","","","","","","0.796","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311553","9.8426","0.0006","19.117","0.005","9.7279","0.0005","90","","90","","90","","1830.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 N2 Pb S2 -","- C4 H12 N2 Pb S2 -","- C32 H96 N16 Pb8 S16 -","8","1","","Holger Fleischer; Dieter Schollmeyer","Synthesis of and Structural Studies on Lead(II) Cysteamin Complexes","Inorganic Chemistry","2004","43","","5529","5536","10.1021/ic0498889","","","0.71069","MoKα","","0.1268","0.0506","","","0.0939","0.1157","","","","","","0.975","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4311633","9.2","","16.633","","16.176","","90","","90","","90","","2475.31","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl2 N4 Pt -","- C10 H8 Cl2 N4 Pt -","- C80 H64 Cl16 N32 Pt8 -","8","1","","Akbey Dogan; Biprajit Sarkar; Axel Klein; Falk Lissner; Thomas Schleid; Jan Fiedler; Stanislav Záliš; Vimal K. Jain; Wolfgang Kaim","Complex Reduction Chemistry of (abpy)PtCl2, abpy = 2,2'-Azobispyridine: Formation of Cyclic [(μ,η2:η1-abpy)PtCl]22+ with a New Coordination Mode for abpy and a Near-Infrared Ligand-to-Ligand Intervalence Charge Transfer Absorption of the One-Electron Reduced State","Inorganic Chemistry","2004","43","","5973","5980","10.1021/ic049941t","","","0.71073","MoKα","","0.0655","0.0432","","","0.0727","0.0792","","","","","","1.147","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4311671","8.5464","0.0005","16.6659","0.001","21.5108","0.0012","90","","90","","90","","3063.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl2 N4 Re -","- C14 H16 Cl2 N4 Re -","- C112 H128 Cl16 N32 Re8 -","8","1","","Lihui Wei; John W. Babich; Jon Zubieta","Unusual Reactivity of the {ReVO}3+ Core: Syntheses and Characterization of Novel Rhenium Halide Complexes with N-Methyl-o-diaminobenzene","Inorganic Chemistry","2004","43","","6445","6454","10.1021/ic049372p","","","0.71073","MoKα","","0.0903","0.0462","","","0.0748","0.0859","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4311724","14.412","0.012","17.208","0.018","34.69","0.02","90","","90","","90","","8603","13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Mn2 N12 O13 -","- C40 H32 Mn2 N12 O13 -","- C320 H256 Mn16 N96 O104 -","8","1","","Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro","A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties","Inorganic Chemistry","2004","43","","6684","6698","10.1021/ic0348897","","","0.71069","MoKα","","0.1575","0.0877","","","0.1931","0.2501","","","","","","1.22","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311736","15.3873","0.0012","17.156","0.002","25.628","0.002","90","","90","","90","","6765.4","1.1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl6 Fe N3 O2 -","- C29 H35 Cl6 Fe N3 O2 -","- C232 H280 Cl48 Fe8 N24 O16 -","8","1","","Theo M. Smit; Atanas K. Tomov; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Dramatic Effect of Heteroatom Backbone Substituents on the Ethylene Polymerization Behavior of Bis(imino)pyridine Iron Catalysts","Inorganic Chemistry","2004","43","","6511","6512","10.1021/ic0490775","","","1.54178","CuKα","","0.1403","0.0757","","0.2378","0.1855","","","","1.051","1.162","1.162","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311758","12.7455","0.0002","19.0106","0.0003","33.941","0.0005","90","","90","","90","","8223.9","0.2","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Iridium(III) N,C2,N'-(4,6-dimethyl-1,3-dipyridyl-benzene) N,N',N""-(4'-(4-tolyl)-2,2':6',2''-terpyridine) tris-hexafluorophosphate salt","","- C43 H38 F12 Ir N5 O P2 -","- C43 H38 F12 Ir N5 O P2 -","- C344 H304 F96 Ir8 N40 O8 P16 -","8","1","","Andrew J. Wilkinson; Andrés E. Goeta; Clive E. Foster; J. A. Gareth Williams","Synthesis and Luminescence of a Charge-Neutral, Cyclometalated Iridium(III) Complex Containing N^C^N- and C^N^C-Coordinating Terdentate Ligands","Inorganic Chemistry","2004","43","","6513","6515","10.1021/ic049272j","","","0.71073","MoKα","","0.0619","0.0372","","","0.0805","0.0905","","","","","","1.018","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311760","16.1557","0.0004","14.1477","0.0004","26.5325","0.0009","90","","90","","90","","6064.4","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(tris(2-benzylaminoethyl)amine)-(thiosulfato-S)-copper(ii) methanol solvate","","- C28 H40 Cu N4 O4 S2 -","- C28 H40 Cu N4 O4 S2 -","- C224 H320 Cu8 N32 O32 S16 -","8","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.165","0.0696","","","0.0951","0.1161","","","","","","1.024","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311805","14.811","0.005","12.795","0.004","32.802","0.011","90","","90","","90","","6216","4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H40 N2 Se7 Te3 -","- C16 H40 N2 Se7 Te3 -","- C128 H320 N16 Se56 Te24 -","8","1","","Perumal Sekar; James A. Ibers","Syntheses and Characterization of Some Mixed Te/Se Polychalcogenide Anions [TemSen]2-","Inorganic Chemistry","2004","43","","5436","5441","10.1021/ic040026h","","","0.71073","MoKα","","0.1722","0.0651","","","0.1517","0.208","","","","","","1.006","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311875","12.2868","0.0003","25.0945","0.0006","35.1135","0.0008","90","","90","","90","","10826.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H63 O12 P2 Pt2 Ru5 -","- C46 H63 O12 P2 Pt2 Ru5 -","- C368 H504 O96 P16 Pt16 Ru40 -","8","1","","Richard D. Adams; Burjor Captain; Perry J. Pellechia; Lei Zhu","Addition of Pt(PBut3) Groups to Ru5(CO)12(η6-C6H6)(μ5-C). Synthesis, Structures, and Dynamical Activity","Inorganic Chemistry","2004","43","","7243","7249","10.1021/ic049004l","","","0.71073","MoKα","","0.0607","0.0482","","","0.0985","0.1072","","","","","","1.228","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4311910","24.6741","0.0013","15.4148","0.0008","30.8125","0.0016","90","","90","","90","","11719.4","1.1","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H51 Mo5 N9 Ni2 O32.5 P2 -","- C38 H28 Mo5 N9 Ni2 O32.4 P2 -","- C304 H224 Mo40 N72 Ni16 O259.2 P16 -","8","1","","Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta","Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths","Inorganic Chemistry","2004","43","","7014","7029","10.1021/ic049201k","","","0.71073","MoKα","","0.0849","0.072","","","0.1078","0.1179","","","","","","1.117","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311999","15.668","0.002","17.285","0.002","20.011","0.003","90","","90","","90","","5419.4","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","[Ar'Pb(CH3)]2","","","- C62 H80 Pb2 -","- C62 H80 Pb2 -","- C248 H320 Pb8 -","4","0.5","","Shirley Hino; Marilyn Olmstead; Andrew D. Phillips; Robert J. Wright; Philip P. Power","Terphenyl Ligand Stabilized Lead(II) Derivatives: Steric Effects and Lead-Lead Bonding in Diplumbenes","Inorganic Chemistry","2004","43","","7346","7352","10.1021/ic049174y","","","0.71073","MoKα","","0.085","0.0321","","","0.0736","0.0987","","","","","","1.069","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4312058","21.5284","0.0017","17.046","0.002","22.928","0.002","90","","90","","90","","8414","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H38 Cu2 N10 Na2 O9 -","- C40 H38 Cu2 N10 Na2 O9 -","- C320 H304 Cu16 N80 Na16 O72 -","8","1","","Jean-Pierre Costes; Ghenadie Novitchi; Sergiu Shova; Françoise Dahan; Bruno Donnadieu; Jean-Pierre Tuchagues","Synthesis, Structure, and Magnetic Properties of Heterometallic Dicyanamide-Bridged Cu-Na and Cu-Gd One-Dimensional Polymers","Inorganic Chemistry","2004","43","","7792","7799","10.1021/ic048942i","","","0.71073","MoKα","","0.0751","0.0301","","","0.0678","0.0808","","","","","","0.924","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312075","10.7377","0.0003","15.1861","0.0003","35.4669","0.0009","90","","90","","90","","5783.4","0.2","296.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl N3 Ni O -","- C29 H38 Cl N3 Ni O -","- C232 H304 Cl8 N24 Ni8 O8 -","8","1","","Yuichi Shimazaki; Stefan Huth; Satoru Karasawa; Shun Hirota; Yoshinori Naruta; Osamu Yamauchi","Nickel(II)-Phenoxyl Radical Complexes: Structure-Radical Stability Relationship","Inorganic Chemistry","2004","43","","7816","7822","10.1021/ic049040k","","","0.7107","MoKα","","","0.0595","","","","0.1507","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312105","15.0601","0.0009","17.5377","0.0011","22.8468","0.0015","90","","90","","90","","6034.3","0.7","218","2","218","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H72 Cu F20 N2 O4 -","- C56 H62 Cu F20 N2 O4 -","- C224 H248 Cu4 F80 N8 O16 -","4","0.5","","Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination","Inorganic Chemistry","2004","43","","7709","7725","10.1021/ic0493954","","","0.71073","MoKα","","0.0763","0.0505","","","0.1509","0.1722","","","","","","1.03","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312219","13.1057","0.0007","16.3648","0.0008","16.8605","0.0008","90","","90","","90","","3616.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H7 Mn Mo O7 S2 -","- C16 H7 Mn Mo O7 S2 -","- C128 H56 Mn8 Mo8 O56 S16 -","8","1","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoKα","","0.0508","0.0394","","","0.1017","0.1093","","","","","","0.952","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312300","27.0527","0.0009","10.5537","0.0003","28.2487","0.0009","90","","90","","90","","8065.2","0.4","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H22 Cu F12 N5 O5 S -","- C44 H22 Cu F12 N5 O5 S -","- C352 H176 Cu8 F96 N40 O40 S8 -","8","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.0592","0.0378","","","0.0938","0.1212","","","","","","1.2","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312315","12.249","0.006","18.457","0.008","23.812","0.011","90","","90","","90","","5383","4","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H39 N4 O2 P Pd -","- C27 H39 N4 O2 P Pd -","- C216 H312 N32 O16 P8 Pd8 -","8","1","","Donald J. Darensbourg; Cesar G. Ortiz; Jason C. Yarbrough","Synthesis and Structures of Nickel and Palladium Salicylaldiminato 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes","Inorganic Chemistry","2003","42","","6915","6922","10.1021/ic0341284","","","0.71073","MoKα","","0.0523","0.0343","","","0.0674","0.0723","","","","","","0.926","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312332","15.484","0.005","10.661","0.002","21.81","0.008","90","","90","","90","","3600.3","1.9","296.1","","296.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H40 F12 N8 Ni P2 -","- C30 H40 F12 N8 Ni P2 -","- C120 H160 F48 N32 Ni4 P8 -","4","0.5","","Jeremy S. Disch; Richard J. Staples; Thomas E. Concolino; Terry E. Haas; Elena V. Rybak-Akimova","Nickel(II) Cyclidenes with Appended Ethylpyridine Receptor Centers as Molecular Tweezers for Dicarboxylic Acids","Inorganic Chemistry","2003","42","","6749","6763","10.1021/ic0345572","","","0.7107","MoKα","","","0.074","","","","0.076","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312352","8.8732","0.001","8.4771","0.0009","48.841","0.005","90","","90","","90","","3673.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dodecylammonium tin(II) tetraiodide","","","- C24 H56 I4 N2 Sn -","- C24 H56 I4 N2 Sn -","- C96 H224 I16 N8 Sn4 -","4","0.5","","Zhengtao Xu; David B. Mitzi","[CH3(CH2)11NH3]SnI3: A Hybrid Semiconductor with MoO3-type Tin(II) Iodide Layers","Inorganic Chemistry","2003","42","","6589","6591","10.1021/ic0347081","","","0.71073","MoKα","","0.0859","0.0758","","","0.1847","0.1893","","","","","","1.132","","","","has coordinates","156327","2020-10-21","18:00:00",""
"4312387","7.5311","0.0002","7.9335","0.0002","29.0604","0.0008","90","","90","","90","","1736.3","0.08","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H8 N O3 Rb -","- C7 H8 N O3 Rb -","- C56 H64 N8 O24 Rb8 -","8","1","","Frank Wiesbrock; Hubert Schmidbaur","Crystal Structures of Rubidium and Cesium Anthranilates and Salicylates","Inorganic Chemistry","2003","42","","7283","7289","10.1021/ic034427t","","","0.71073","MoKα","","0.0293","0.0252","","","0.06","0.0633","","","","","","1.148","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4312460","13.4946","0.0007","19.628","0.0011","20.7463","0.0013","90","","90","","90","","5495.1","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl2 N6 O8 Ru S2 -","- C18 H32 Cl2 N6 O8 Ru S2 -","- C144 H256 Cl16 N48 O64 Ru8 S16 -","8","1","","Adam Wu; David C. Kennedy; Brian O. Patrick; Brian R. James","Ruthenium(II) Sulfoxide-Maltolato and -Nitroimidazole Complexes: Synthesis and MTT Assay","Inorganic Chemistry","2003","42","","7579","7586","10.1021/ic030119j","","","0.71069","MoKα","","0.0881","0.0423","","","0.0888","0.099","","","","","","0.868","","","","has coordinates,has disorder","179163","2020-10-21","18:00:00",""
"4312469","8.3673","0.0011","19.78","0.003","32.181","0.004","90","","90","","90","","5326.1","1.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H33 O3 Sm -","- C32 H33 O3 Sm -","- C256 H264 O24 Sm8 -","8","1","","Gerd W. Rabe; Mei Zhang-Presse; Florian A. Riederer; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Terphenyl Cyclooctatetraenyl Compounds of Samarium","Inorganic Chemistry","2003","42","","7587","7592","10.1021/ic0301775","","","0.71073","MoKα","","0.0325","0.0285","","","0.0723","0.0747","","","","","","1.055","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312470","14.192","0.0009","14.9607","0.0009","28.2053","0.0018","90","","90","","90","","5988.6","0.6","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H41 O Sm -","- C36 H41 O Sm -","- C288 H328 O8 Sm8 -","8","1","","Gerd W. Rabe; Mei Zhang-Presse; Florian A. Riederer; James A. Golen; Christopher D. Incarvito; Arnold L. Rheingold","Terphenyl Cyclooctatetraenyl Compounds of Samarium","Inorganic Chemistry","2003","42","","7587","7592","10.1021/ic0301775","","","0.71073","MoKα","","0.0895","0.0666","","","0.141","0.15","","","","","","1.186","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312505","14.694","0.0006","16.457","0.0018","19.89","0.003","90","0.011","90","0.007","90","0.006","4809.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(dibenzoylmethanoato)nitrido-chromium(V)","","- C30 H22 Cr N O4 -","- C30 H22 Cr N O4 -","- C240 H176 Cr8 N8 O32 -","8","1","","Torben Birk; Jesper Bendix","Atom Transfer as a Preparative Tool in Coordination Chemistry. Synthesis and Characterization of Cr(V) Nitrido Complexes of Bidentate Ligands","Inorganic Chemistry","2003","42","","7608","7615","10.1021/ic034777f","","","0.71073","MoKα","","0.0457","0.0334","","","0.0805","0.0872","","","","","","0.873","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312643","16.4866","0.0002","15.2905","0.0002","22.4722","0.0004","90","","90","","90","","5664.98","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Co N6 S2 -","- C28 H24 Co N6 S2 -","- C224 H192 Co8 N48 S16 -","8","1","","Dong Mok Shin; In Su Lee; Dahye Cho; Young Keun Chung","Three Topological Isomeric Coordination Polymer Networks from the Assembly of a Rigid Linear Spacer and a Square Planar Metal Node: Structures, Isomerism Control, and Solid-to-Solid Transformation","Inorganic Chemistry","2003","42","","7722","7724","10.1021/ic035111o","","","0.71073","MoKα","","0.087","0.0508","","","0.1562","0.1711","","","","","","1.091","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312674","10.918","0.0007","12.4628","0.0008","38.802","0.003","90","","90","","90","","5279.7","0.6","250","2","250","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ag F11 Sb2 -","- Ag F11 Sb2 -","- Ag24 F264 Sb48 -","24","3","","Zoran Mazej; Primož Benkič","Silver(I) Undecafluorodiantimonate(V)","Inorganic Chemistry","2003","42","","8337","8343","10.1021/ic034616b","","","0.71069","MoKα","","0.0712","0.0615","","","0.1334","0.1391","","","","","","1.209","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312683","18","0.003","18","","31.499","0.005","90","","90","","90","","10206","2","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H47 Cl4 F3 Mn N4 O6 S -","- C48 H47 Cl4 F3 Mn N4 O6 S -","- C384 H376 Cl32 F24 Mn8 N32 O48 S8 -","8","1","","Sumitra Mukhopadhyay; Bhavesh A. Gandhi; Martin L. Kirk; William H. Armstrong","A New Class of Oxo-Bridged High-Valent Hexamanganese Clusters Supported by Sterically Hindered Carboxylate Ligands","Inorganic Chemistry","2003","42","","8171","8180","10.1021/ic034641h","","","0.71073","MoKα","","0.0898","0.0608","","","0.1715","0.1876","","","","","","1.032","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312852","10.703","0.004","14.115","0.003","20.807","0.004","90","","90","","90","","3143.4","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H22 Ru S3 -","- C14 H22 Ru S3 -","- C112 H176 Ru8 S24 -","8","1","","Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis","Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions","Inorganic Chemistry","2003","42","","96","106","10.1021/ic0203419","","","0.71073","MoKα","","0.0576","0.0292","","","0.0702","0.0803","","","","","","1.014","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312871","12.573","0.003","13.97","0.007","18.891","0.009","90","","90","","90","","3318","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[{N,N'-bis(salicylidene)-1,3-diaminopropane}manganese(III) thiocyanate]","","- C18 H16 Mn N3 O2 S -","- C18 H16 Mn N3 O2 S -","- C144 H128 Mn8 N24 O16 S8 -","8","1","","S. Sailaja; K. Rajender Reddy; M. V. Rajasekharan; C. Hureau; E. Rivière; J. Cano; J.-J. Girerd","Synthesis, Structure, and Magnetic Properties of [MnIII(salpn)NCS]n, a Helical Polymer, and the Dimer [MnIII(salpn)NCS]2. Weak Ferromagnetism in [MnIII(salpn)NCS]n Related to the Strong Magnetic Anisotropy in Jahn-Teller Mn(III) (salpnH2=N,N'-Bis(salicylidene)-1,3-diaminopropane)","Inorganic Chemistry","2003","42","","180","186","10.1021/ic0256617","","","0.71073","MoKα","","0.1005","0.0523","","","0.1303","0.1573","","","","","","1.012","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312888","8.0221","0.0002","32.3844","0.0001","13.5659","0.0003","90","","90","","90","","3524.3","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cu2 N10 S2 -","- C10 H16 Cu2 N10 S2 -","- C80 H128 Cu16 N80 S16 -","8","1","","Jia-Cheng Liu; Guo; Jin-Shun Huang; Xiao-Zeng You","Different Oxidation States of Copper(I, I/II, II) Thiocyanate Complexes Containing 1,2,4-Triazole as a Bridging Ligand: Syntheses, Crystal Structures, and Magnetic Properties of 2-D Polymer CuI(admtrz)SCN, Linear Trinuclear [CuI2CuII(admtrz)6(SCN)2](ClO4)2, and Triangular Trinuclear [CuII3(admtrz)4(SCN)3(μ3-OH)(H2O)](ClO4)2.H2O (admtrz = 4-Amino-3,5-dimethyl-1,2,4-triazole)","Inorganic Chemistry","2003","42","","235","243","10.1021/ic0258173","","","0.71073","MoKα","","0.0834","0.0595","","","0.1674","0.1913","","","","","","1.044","","","","has coordinates","179167","2020-10-21","18:00:00",""
"4312890","21.501","0.003","18.382","0.0018","21.526","0.002","90","","90","","90","","8507.8","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H37 Cl2 Cu3 N19 O11 S3 -","- C19 H33 Cl2 Cu3 N19 O11.014 S3 -","- C152 H264 Cl16 Cu24 N152 O88.112 S24 -","8","1","","Jia-Cheng Liu; Guo; Jin-Shun Huang; Xiao-Zeng You","Different Oxidation States of Copper(I, I/II, II) Thiocyanate Complexes Containing 1,2,4-Triazole as a Bridging Ligand: Syntheses, Crystal Structures, and Magnetic Properties of 2-D Polymer CuI(admtrz)SCN, Linear Trinuclear [CuI2CuII(admtrz)6(SCN)2](ClO4)2, and Triangular Trinuclear [CuII3(admtrz)4(SCN)3(μ3-OH)(H2O)](ClO4)2.H2O (admtrz = 4-Amino-3,5-dimethyl-1,2,4-triazole)","Inorganic Chemistry","2003","42","","235","243","10.1021/ic0258173","","","0.71073","MoKα","","0.1522","0.0638","","","0.1519","0.1722","","","","","","1.004","","","","has coordinates,has disorder","179167","2020-10-21","18:00:00",""
"4312930","22.3892","0.0004","19.2933","0.0004","26.6209","0.0005","90","","90","","90","","11499.2","0.4","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H65 Cl Cu N2 O2 P3 -","- C66 H65 Cl Cu N2 O2 P3 -","- C528 H520 Cl8 Cu8 N16 O16 P24 -","8","1","","Dirk Walther; Stefan Liesicke; Lars Böttcher; Reinald Fischer; Helmar Görls; Gavin Vaughan","Metal Complexes with 2,3-Bis(diphenylphosphino)-1,4-diazadiene Ligands: Synthesis, Structures, and an Intramolecular Metal-Mediated [4 + 2] Cycloaddition Employing a Benzene Ring as a Dienophile","Inorganic Chemistry","2003","42","","625","632","10.1021/ic020534w","","","0.71073","MoKα","","0.0852","0.044","","","0.1057","0.1123","","","","","","0.88","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4312959","17.665","0.005","15.695","0.003","18.077","0.004","90","","90","","90","","5012","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19.5 H30 B2 Co N5 O7 -","- C19.5 H27 B2 Co N5 O7 -","- C156 H216 B16 Co8 N40 O56 -","8","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","A Guest-Induced Assembly of a Molecular Box from Methylcobaloxime and 1,4-Phenylenebisboronic Acid","Inorganic Chemistry","2003","42","","612","617","10.1021/ic025909s","","","0.71073","MoKα","","0.0668","0.0526","","","0.1574","0.173","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313072","12.09","0.002","16.489","0.003","29.815","0.006","90","","90","","90","","5943.7","1.9","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H39 Cl2 N P2 V -","- C28 H39 Cl2 N P2 V -","- C224 H312 Cl16 N8 P16 V8 -","8","1","","Christian Lorber; Robert Choukroun; Bruno Donnadieu","Synthesis and Crystal Structure of Unprecedented Phosphine Adducts of d1-Aryl Imido-Vanadium(IV) Complexes","Inorganic Chemistry","2003","42","","673","675","10.1021/ic026089m","","","0.71073","MoKα","","0.0938","0.0817","","","0.1323","0.1378","","","","","","1.256","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313091","6.4389","0.0014","23.574","0.005","25.4","0.005","90","","90","","90","","3855.5","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H15 Ag F6 N5 P -","- C17 H15 Ag F6 N5 P -","- C136 H120 Ag8 F48 N40 P8 -","8","1","","Corey Seward; Jacquelyn Chan; Datong Song; Suning Wang","Anion Dependent Structures of Luminescent Silver(I) Complexes","Inorganic Chemistry","2003","42","","1112","1120","10.1021/ic020480q","","","0.71073","MoKα","","0.0712","0.0553","","","0.1952","0.2062","","","","","","1.444","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313092","6.4275","0.0012","23.16","0.005","24.887","0.005","90","","90","","90","","3704.7","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H15 Ag Cl N5 O4 -","- C17 H15 Ag Cl N5 O4 -","- C136 H120 Ag8 Cl8 N40 O32 -","8","1","","Corey Seward; Jacquelyn Chan; Datong Song; Suning Wang","Anion Dependent Structures of Luminescent Silver(I) Complexes","Inorganic Chemistry","2003","42","","1112","1120","10.1021/ic020480q","","","0.71073","MoKα","","0.2281","0.0525","","","0.1013","0.1382","","","","","","0.794","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313125","17.8309","0.001","17.3324","0.001","20.3716","0.0011","90","","90","","90","","6295.9","0.6","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H33 Mo N O P2 S -","- C35 H33 Mo N O P2 S -","- C280 H264 Mo8 N8 O8 P16 S8 -","8","1","","Kuang-Hway Yih; Gene-Hsiang Lee; Yu Wang","Syntheses, Reactivity, and Crystal Structures of Molybdenum Complexes with Pyridine-2-thionate (pyS)-Containing Ligands: Crystal Structures of [Mo(η3-C3H5)(CO)2]2(μ-η1,η2-pyS)2, exo-[Mo(η3-C3H5)(CO)(η2-pyS)(η2-dppe)], [Mo(CO)3(η1-SC5H4NH)(η2-dppm)], and [Mo(CO)(η2-pyS)2(η2-dppm)]","Inorganic Chemistry","2003","42","","1092","1100","10.1021/ic020579x","","","0.71073","MoKα","","0.0472","0.0358","","","0.0904","0.0983","","","","","","1.03","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313129","20.19","0.02","17.43","0.02","12.97","0.02","90","","90","","90","","4564","10","296.2","","296.2","","","","","","","","Prepared from H2(salpn) and VOSO4","7","P b c a","-P 2ac 2ab","61","[N,N'-2,2-dimethylpropylenebis(salicylideneaminnato)]oxovanadium(V) tetrafluoroborate","","","- C21 H23 B F4 N3 O3 V -","- C21 H23 B F4 N3 O3 V -","- C168 H184 B8 F32 N24 O24 V8 -","8","1","","Kenichi Oyaizu; Eniya Listiani Dewi; Eishun Tsuchida","Coordination of BF4-to Oxovanadium(V) Complexes, Evidenced by the Redox Potential of Oxovanadium(IV/V) Couples in CH2Cl2","Inorganic Chemistry","2003","42","","1070","1075","10.1021/ic0205987","","","0.7107","MoKα","","","0.073","","","0.088","","","","","1.7","1.7","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4313190","16.822","0.008","16.191","0.011","23.722","0.013","90","","90","","90","","6461","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.3 H29.6 Cl2.6 Mo N O4 P2 -","- C28.3 H29.6 Cl2.6 Mo N O4 P2 -","- C226.4 H236.8 Cl20.8 Mo8 N8 O32 P16 -","8","1","","Srinivasan Priya; Maravanji S. Balakrishna; Joel T. Mague; Shaikh M. Mobin","Insertion of Carbon Fragments into P(III)-N Bonds in Aminophosphines and Aminobis(phosphines): Synthesis, Reactivity, and Coordination Chemistry of Resulting Phosphine Oxide Derivatives. Crystal and Molecular Structures of (Ph2P(O)CH2)2NR (R = Me,nPr,nBu), Ph2P(O)CH(OH)nPr, and cis-[MoO2Cl2{(Ph2P(O)CH2)2NEt-κO,κO}]","Inorganic Chemistry","2003","42","","1272","1281","10.1021/ic026118t","","","0.71073","MoKα","","0.1487","0.0687","","","0.2029","0.2378","","","","","","1.067","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4313280","12.5269","0.0004","12.0208","0.0004","26.1327","0.0004","90","","90","","90","","3935.15","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Mn2 Mo N8 O4 -","- C13 H14 Mn2 Mo N8 O4 -","- C104 H112 Mn16 Mo8 N64 O32 -","8","1","","Stéfania Tanase; Floriana Tuna; Philippe Guionneau; Thierry Maris; Guillaume Rombaut; Corine Mathonière; Marius Andruh; ) Olivier Kahn; Jean-Pascal Sutter","Substantial Increase of the Ordering Temperature for {MnII/MoIII(CN)7}- Based Magnets as a Function of the 3d Ion Site Geometry: Example of Two Supramolecular Materials with Tc= 75 and 106 K","Inorganic Chemistry","2003","42","","1625","1631","10.1021/ic025990z","","","0.71073","MoKα","","0.0922","0.0757","","","0.1698","0.1753","","","","","","1.272","","","","has coordinates,has disorder","179188","2020-10-21","18:00:00",""
"4313282","23.9793","0.001","20.8297","0.0008","24.3422","0.001","90","","90","","90","","12158.5","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H8 Ag6 F12 N4 O8 -","- C18 H8 Ag6 F12 N4 O8 -","- C288 H128 Ag96 F192 N64 O128 -","16","2","","Quan-Ming Wang; Thomas C. W. Mak","Assembly of Discrete, One-, Two-, and Three-Dimensional Silver(I) Supramolecular Complexes Containing Encapsulated Acetylide Dianion with Nitrogen-Donor Spacers","Inorganic Chemistry","2003","42","","1637","1643","10.1021/ic026019f","","","0.71073","MoKα","","0.0874","0.0544","","","0.1337","0.1502","","","","","","0.971","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313283","22.7676","0.001","17.8221","0.0008","47.066","0.002","90","","90","","90","","19097.8","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H57 Ag14 F42 N8 O30.5 -","- C56 H52 Ag14 F42 N8 O30.5 -","- C448 H416 Ag112 F336 N64 O244 -","8","1","","Quan-Ming Wang; Thomas C. W. Mak","Assembly of Discrete, One-, Two-, and Three-Dimensional Silver(I) Supramolecular Complexes Containing Encapsulated Acetylide Dianion with Nitrogen-Donor Spacers","Inorganic Chemistry","2003","42","","1637","1643","10.1021/ic026019f","","","0.71073","MoKα","","0.0918","0.0658","","","0.1426","0.1543","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313293","11.5835","0.0012","12.6132","0.0013","16.841","0.002","90","","90","","90","","2460.6","0.5","162","2","162","2","","","","","","","synthetic","5","P b c a","-P 2ac 2ab","61","","","","- C9 H17 Fe N6 O -","- C9 H17 Fe N6 O -","- C72 H136 Fe8 N48 O8 -","8","1","","Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long","High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes","Inorganic Chemistry","2003","42","","1403","1419","10.1021/ic026065f","","","0.71073","MoKα","","0.0666","0.0394","","0.0957","0.0838","","","","1.032","1.068","1.068","","","","","has coordinates","179188","2020-10-21","18:00:00",""
"4313389","17.7478","0.0016","19.8792","0.0018","21.396","0.0018","90","","90","","90","","7548.8","1.2","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H56 Au B9 P3 -","- C32 H55 Au B9 P3 -","- C256 H440 Au8 B72 P24 -","8","1","","Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; Juan L. Pérez; Miguel A. Ramón","Luminescentnido-Carborane-Diphosphine Anions [(PR2)2C2B9H10]-(R = Ph,iPr). Modification of Their Luminescence Properties upon Formation of Three-Coordinate Gold(I) Complexes","Inorganic Chemistry","2003","42","","2061","2068","10.1021/ic0259843","","","0.71073","MoKα","","0.0459","0.0232","","","0.0479","0.0521","","","","","","0.976","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4313405","14.545","0.003","21.756","0.004","31.881","0.006","90","","90","","90","","10088","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H58 Mo N4 P4 -","- C57 H58 Mo N4 P4 -","- C456 H464 Mo8 N32 P32 -","8","1","","Sónia M. P. R. M. Cunha; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro","Mixed Dinitrogen-Organocyanamide Complexes of Molybdenum(0) and Their Protic Conversion into Hydrazide and Amidoazavinylidene Derivatives","Inorganic Chemistry","2003","42","","2157","2164","10.1021/ic026176e","","","0.71073","MoKα","","0.023","0.023","","","0.0582","0.0582","","","","","","1.026","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313535","10.16","0.001","10.18","0.001","12.058","0.001","90","","90","","90","","1247.1","0.2","293","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetramethylphosphoniumfluoride","","- C4 H12 F P -","- C4 H12 F P -","- C32 H96 F8 P8 -","8","1","","Andreas Kornath; F. Neumann; H. Oberhammer","Tetramethylphosphonium Fluoride: ""Naked"" Fluoride and Phosphorane","Inorganic Chemistry","2003","42","","2894","2901","10.1021/ic020663c","","","0.71073","MoKα","","0.0295","0.025","","0.0738","0.0722","","","","1.098","1.153","1.153","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4313584","13.3469","0.001","11.8991","0.001","23.7024","0.001","90","","90","","90","","3764.3","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H26 B12 S2 -","- C10 H26 B12 S2 -","- C80 H208 B96 S16 -","8","1","","Roman G. Kultyshev; Shengming Liu; Hoitung T. Leung; Jianping Liu; Sheldon G. Shore","Synthesis of Mono- and Dihalogenated Derivatives of (Me2S)2B12H10 and Palladium-Catalyzed Boron-Carbon Cross-Coupling Reactions of the Iodides with Grignard Reagents","Inorganic Chemistry","2003","42","","3199","3207","10.1021/ic020600u","","","0.71073","MoKα","","0.0574","0.0362","","","0.0872","0.0939","","","","","","1.035","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313594","15.191","0.003","23.208","0.005","47.149","0.009","90","","90","","90","","16623","6","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C86 H99 B2 Cl4 F8 N5 O4 Rh2 -","- C86 H99 B2 Cl4 F8 N5 O4 Rh2 -","- C688 H792 B16 Cl32 F64 N40 O32 Rh16 -","8","1","","Reto Dorta; Linda J. W. Shimon; Haim Rozenberg; Yehoshoa Ben-David; David Milstein","A New Ligand System Based on a Bipyridine-Functionalized Calix[4]arene Backbone Leading to Mono- and Bimetallic Complexes","Inorganic Chemistry","2003","42","","3160","3167","10.1021/ic020643a","","","0.71073","MoKα","","0.0873","0.0743","","","0.1975","0.2089","","","","","","1.022","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313600","15.0326","0.0001","19.0878","0.0001","59.0383","0.0005","90","","90","","90","","16940.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Br O2.5 P -","- C33 H28 Br O2.5 P -","- C792 H672 Br24 O60 P24 -","24","3","","A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes","Influence of Hydrogen Bonding in Competition with Lattice Interactions on Carbonyl Coordination at Phosphorus. Implications for Phosphoryl Transfer Activated States1","Inorganic Chemistry","2003","42","","3285","3292","10.1021/ic020666p","","","0.71073","MoKα","","0.1347","0.0673","","","0.139","0.1655","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313631","12.0199","0.0002","10.4778","0.0002","21.4984","0.0002","90","","90","","90","","2707.55","0.07","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H16 Cl2 N2 Pd S -","- C9 H16 Cl2 N2 Pd S -","- C72 H128 Cl16 N16 Pd8 S8 -","8","1","","Douglas B. Grotjahn; Sang Van; David Combs; Daniel A. Lev; Christian Schneider; Christopher D. Incarvito; Kim-Chung Lam; Gene Rossi; Arnold L. Rheingold; Marc Rideout; Christoph Meyer; Genaro Hernandez; Lupe Mejorado","Substituent Control of Hydrogen Bonding in Palladium(II)-Pyrazole Complexes","Inorganic Chemistry","2003","42","","3347","3355","10.1021/ic026104n","","","0.71073","MoKα","","0.035","0.0316","","","0.1239","0.131","","","","","","1.15","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313715","11.6293","0.0015","15.875","0.002","37.944","0.004","90","","90","","90","","7005","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H42 Cl Co N3 -","- C41 H42 Cl Co N3 -","- C328 H336 Cl8 Co8 N24 -","8","1","","George J. P. Britovsek; Vernon C. Gibson; Olivier D. Hoarau; Stefan K. Spitzmesser; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts: Variations on the Central Donor","Inorganic Chemistry","2003","42","","3454","3465","10.1021/ic034040q","","","0.71073","MoKα","","0.1411","0.0662","","0.1919","0.1482","","","","1.014","1.137","1.137","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4313743","17.723","0.005","15.13","0.006","18.35","0.006","90","","90","","90","","4921","3","296.2","","296.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl5 Co N5 Zn -","- C19 H27 Cl5 Co N5 Zn -","- C152 H216 Cl40 Co8 N40 Zn8 -","8","1","","Alistair J. Dickie; David C. R. Hockless; Anthony C. Willis; Josephine A. McKeon; W. Gregory Jackson","A Unique Mechanism for Base Catalyzed Hydrolysis of Pentaaminecobalt(III) Complexes Containing Picolyl Residues","Inorganic Chemistry","2003","42","","3822","3834","10.1021/ic0206995","","","0.7107","MoKα","","","0.0427","","","","0.0399","","","","","","2.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313771","9.705","0.005","18.277","0.01","25.653","0.015","90","","90","","90","","4550","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Ag F3 N2 O3 S3 -","- C22 H18 Ag F3 N2 O3 S3 -","- C176 H144 Ag8 F24 N16 O24 S24 -","8","1","","Chun-Long Chen; Cheng-Yong Su; Yue-Peng Cai; Hua-Xin Zhang; An-Wu Xu; Bei-Sheng Kang; Hans-Conrad zur Loye","Multidimensional Frameworks Assembled from Silver(I) Coordination Polymers Containing Flexible Bis(thioquinolyl) Ligands: Role of the Intra- and Intermolecular Aromatic Stacking Interactions","Inorganic Chemistry","2003","42","","3738","3750","10.1021/ic0341035","","","0.71073","MoKα","","0.0934","0.0635","","","0.1809","0.2168","","","","","","1.018","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313836","14.5401","0.0012","6.5807","0.0005","16.5221","0.0013","90","","90","","90","","1580.9","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N5 O2 Zn -","- C6 H5 N5 O2 Zn -","- C48 H40 N40 O16 Zn8 -","8","1","","Li-Zhong Wang; Zhi-Rong Qu; Hong Zhao; Xi-Sen Wang; Ren-Gen Xiong; Zi-Ling Xue","Isolation and Crystallographic Characterization of a Solid Precipitate/Intermediate in the Preparation of 5-Substituted 1H-Tetrazoles from Nitrile in Water","Inorganic Chemistry","2003","42","","3969","3971","10.1021/ic034116i","","","0.71073","MoKα","","0.0489","0.0453","","","0.1302","0.1328","","","","","","1.027","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313841","20.94","0.003","19.282","0.003","27.461","0.003","90","","90","","90","","11088","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H95 Li3 N9 O4 P3 -","- C40 H95 Li3 N9 O4 P3 -","- C320 H760 Li24 N72 O32 P24 -","8","1","","Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez","Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage","Inorganic Chemistry","2003","42","","3994","4005","10.1021/ic034151p","","","0.71073","","","0.0839","0.0439","","","0.1101","0.125","","","","","","1","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4313846","17.076","0.003","18.007","0.003","15.895","0.003","90","","90","","90","","4887.5","1.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 Cu2 Fe N8 -","- C24 H16 Cu2 Fe N8 -","- C192 H128 Cu16 Fe8 N64 -","8","1","","Enrique Colacio; José M. Dominquez-Vera; Francesc Lloret; José M. Moreno Sáchez; Raikko Kivekäs; Antonio Rodrígeuz; Reijo Sillanpää","Hydrothermal Syntheses, Crystal Structures, and Properties of Two-Dimensional Homo- and Heterometallic Cyanide-Bridged Complexes: [Cu2(CN)2(bpym)] and [Fe(bipy)2(CN)4Cu2] (bpym = 2,2'-Bipyrimidine, bipy = 2,2'-Bipyridine)","Inorganic Chemistry","2003","42","","4209","4214","10.1021/ic034155u","","","0.71069","MoKα","","0.0944","0.054","","","0.1193","0.1315","","","","","","1.04","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313857","16.8695","0.0009","22.345","0.0014","27.3252","0.0017","90","","90","","90","","10300.2","1.1","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H68 Cu2 F6 N8 O6 S2 -","- C42 H68 Cu2 F6 N8 O6 S2 -","- C336 H544 Cu16 F48 N64 O48 S16 -","8","1","","Miquel Costas; Raul Xifra; Antoni Llobet; Miquel Solà; Juvencio Robles; Teodor Parella; Helen Stoeckli-Evans; Markus Neuburger","Dinuclear Copper(I) Complexes with Hexaaza Macrocyclic Dinucleating Ligands: Structure and Dynamic Properties","Inorganic Chemistry","2003","42","","4456","4468","10.1021/ic0261833","","","0.71073","MoKα","","0.1482","0.0555","","","0.1277","0.1513","","","","","","0.754","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313895","11.963","0.0003","22.7735","0.0008","25.9179","0.0008","90","","90","","90","","7061.1","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H42 Cl4 N2 Pt Te -","- C33 H42 Cl4 N2 Pt Te -","- C264 H336 Cl32 N16 Pt8 Te8 -","8","1","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Oxidative Addition of Ph2TeCl2 to a Dimethylplatinum(II) Complex: Effects of Secondary Bonding in the Platinum-Tellurium Products","Inorganic Chemistry","2003","42","","4553","4558","10.1021/ic030057x","","","0.71073","MoKα","","0.0807","0.0429","","","0.0935","0.1024","","","","","","0.941","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313942","13.087","0.006","12.389","0.004","24.52","0.006","90","","90","","90","","3976","2","298","","298","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H26 Cl2 Cr F6 N4 P -","- C12 H26 Cl2 Cr F6.096 N4 P -","- C96 H208 Cl16 Cr8 F48.768 N32 P8 -","8","1","","Kimberley Wright-Garcia; Jillian Basinger; Sarah Williams; Chuanjiang Hu; Paul S. Wagenknecht; Lawrence C. Nathan","Effects of Steric Constraint on Chromium(III) Complexes of Tetraazamacrocycles. Chemistry and Excited-State Behavior of 1,4-C2-Cyclam Complexes","Inorganic Chemistry","2003","42","","4885","4890","10.1021/ic030037v","","","0.71073","MoKα","","","0.0819","","","","0.2165","","","","","","1.012","","","","has coordinates,has disorder","179207","2020-10-21","18:00:00",""
"4314048","22.361","0.006","16.593","0.004","24.428","0.006","90","","90","","90","","9064","4","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","K6(OBP)6(THF)6","","","- C84 H126 K6 O12 -","- C84 H126 K6 O12 -","- C336 H504 K24 O48 -","4","0.5","","Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu","Structural Variations of Potassium Aryloxides","Inorganic Chemistry","2003","42","","5357","5366","10.1021/ic034222k","","","0.71073","MoKα","","0.1275","0.0851","","","0.2274","0.2634","","","","","","1.053","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314155","16.411","0.003","7.4816","0.0013","19.545","0.003","90","","90","","90","","2399.7","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cu N O4 S -","- C11 H11 Cu N O4 S -","- C88 H88 Cu8 N8 O32 S8 -","8","1","","Ke-liang Pang; Dong Guo; Chun-ying Duan; Hong Mo; Qing-jin Meng","Generation of an Equilibrating Collection of Crystalline Solids from a Dynamic Combinational Library","Inorganic Chemistry","2003","42","","5453","5455","10.1021/ic034176o","","","0.71073","MoKα","","0.1029","0.0494","","","0.0762","0.0824","","","","","","1.026","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314170","13.11","0.02","30.14","0.01","7.28","0.01","90","","90","","90","","2877","6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cl4 Cu2 N6 -","- C20 H36 Cl4 Cu2 N6 -","- C80 H144 Cl16 Cu8 N24 -","4","0.5","","Fiona H. Fry; Leone Spiccia; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray; Edward R. T. Tiekink","Binuclear Copper(II) Complexes of Xylyl-Bridged Bis(1,4,7-triazacyclononane) Ligands","Inorganic Chemistry","2003","42","","5594","5603","10.1021/ic0342595","","","0.7107","MoKα","","","0.059","","","","0.054","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314183","16.32","0.01","24.55","0.02","16.94","0.01","90","","90","","90","","6787","8","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H35 N2 O6 Re S3 -","- C32 H29 N2 O6 Re S3 -","- C256 H232 N16 O48 Re8 S24 -","8","1","","Maria Papachristou; Ioannis C. Pirmettis; Charalambos Tsoukalas; Dionyssia Papagiannopoulou; Catherine Raptopoulou; Aris Terzis; Chariklia I. Stassinopoulou; Efstratios Chiotellis; Maria Pelecanou; Minas Papadopoulos","Synthesis and Characterization of Novel Oxotechnetium (99Tc and 99mTc) and Oxorhenium Complexes from the 2,2'-Bipyridine (NN)/Thiol (S) Mixed-Ligand System","Inorganic Chemistry","2003","42","","5778","5784","10.1021/ic034368j","","","0.71073","MoKα","","0.091","0.0545","","0.1628","0.1308","","","","1.051","1.068","1.068","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314239","18.709","0.004","19.238","0.004","23.1","0.005","90","","90","","90","","8314","3","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H50 Cl3 Cu2 N8 O14.5 -","- C31 H49 Cl3 Cu2 N8 O14.5 -","- C248 H392 Cl24 Cu16 N64 O116 -","8","1","","Dongfeng Li; Shuan Li; Dexi Yang; Jiuhong Yu; Jin Huang; Yizhi Li; Wenxia Tang","Syntheses, Structures, and Properties of Imidazolate-Bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) Dinuclear Complexes of a Single Macrocyclic Ligand with Two Hydroxyethyl Pendants","Inorganic Chemistry","2003","42","","6071","6080","10.1021/ic034338g","","","0.71073","MoKα","","0.2001","0.0735","","","0.1679","0.2115","","","","","","0.797","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4314311","6.5705","0.0009","13.5065","0.0018","31.332","0.004","90","","90","","90","","2780.5","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H10 K N2 O4 S2 V -","- C9 H10 K N2 O4 S2 V -","- C72 H80 K8 N16 O32 S16 V8 -","8","1","","Satyabrata Samanta; Suman Mukhopadhyay; Debdas Mandal; Ray J. Butcher; Muktimoy Chaudhury","Adduct Formation between Alkali Metal Ions and Anionic LVVO2- (L2- = Tridentate ONS Ligands) Species: Syntheses, Structural Investigation, and Photochemical Studies","Inorganic Chemistry","2003","42","","6284","6293","10.1021/ic030080i","","","0.71073","MoKα","","0.0439","0.0339","","","0.0869","0.0927","","","","","","1.082","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314318","9.956","0.0006","17.9053","0.001","22.4156","0.0013","90","","90","","90","","3995.9","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H25 N P2 S Se -","- C18 H25 N P2 S Se -","- C144 H200 N8 P16 S8 Se8 -","8","1","","Perumal Sekar; James A. Ibers","Synthesis and Characterization of HN(SPiPr2)(SePPh2) and [Te{N(SPiPr2)(SePPh2)}2]","Inorganic Chemistry","2003","42","","6294","6299","10.1021/ic030194u","","","0.71073","MoKα","","0.0774","0.0448","","","0.1116","0.1263","","","","","","1.469","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314346","13.3148","0.0001","15.7467","0.0004","28.4108","0.0007","90","","90","","90","","5956.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H42 Mo2 N2 O2 S6 -","- C18 H42 Mo2 N2 O2 S6 -","- C144 H336 Mo16 N16 O16 S48 -","8","1","","Rémi Dessapt; Corine Simonnet-Jégat; Alain Mallard; Hélène Lavanant; Jérôme Marrot; Francis Sécheresse","Novel Mo(V)-Dithiolene Compounds: Characterization of Nonsymmetric Dithiolene Complexes by Electrospray Ionization Mass Spectrometry","Inorganic Chemistry","2003","42","","6425","6431","10.1021/ic0342907","","","0.71073","MoKα","","0.1367","0.0589","","","0.0843","0.106","","","","","","1.057","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314363","14.7062","0.0014","19.0303","0.0019","20.916","0.002","90","","90","","90","","5853.6","1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H43 Cl2 N3 Si2 Zr -","- C21 H43 Cl2 N3 Si2 Zr -","- C168 H344 Cl16 N24 Si16 Zr8 -","8","1","","Patrick Bazinet; Dayna Wood; Glenn P. A. Yap; Darrin S. Richeson","Synthesis and Structural Investigation of N,N',N''-Trialkylguanidinato-Supported Zirconium(IV) Complexes","Inorganic Chemistry","2003","42","","6225","6229","10.1021/ic034445a","","","0.71073","MoKα","","0.085","0.0507","","","0.1394","0.1601","","","","","","1.021","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314366","15.016","0.005","15.029","0.008","19.858","0.012","90","","90","","90","","4481","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Mo N4 O S3 -","- C20 H25 Mo N4 O S3 -","- C160 H200 Mo8 N32 O8 S24 -","8","1","","Katrina Peariso; Balwant S. Chohan; Carl J. Carrano; Martin L. Kirk","Synthesis and EPR Characterization of New Models for the One-Electron Reduced Molybdenum Site of Sulfite Oxidase","Inorganic Chemistry","2003","42","","6194","6203","10.1021/ic034478q","","","0.71073","MoKα","","0.109","0.0518","","0.1606","0.1155","","","","1.037","1.064","1.064","","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314374","20.196","0.008","8.227","0.006","20.88","0.011","90","","90","","90","","3469","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl3 N2 O Re -","- C16 H16 Cl3 N2 O Re -","- C128 H128 Cl24 N16 O8 Re8 -","8","1","","Samir Das; Indranil Chakraborty; Animesh Chakravorty","Rhenium Chemistry of Diazabutadienes and Derived Iminoacetamides Spanning the Valence Domain II-VI. Synthesis, Characterization, and Metal-Promoted Regiospecific Imine Oxidation","Inorganic Chemistry","2003","42","","6545","6555","10.1021/ic034586c","","","0.71073","MoKα","","0.1127","0.0673","","0.241","0.1648","","","","1.137","1.139","1.139","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4314529","16.8663","0.0006","13.517","0.0005","23.746","0.0008","90","","90","","90","","5413.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N6 Ni O10 -","- C18 H36 Cl2 N6 Ni O10 -","- C144 H288 Cl16 N48 Ni8 O80 -","8","1","","Oindrila Das; N. N. Adarsh; Ankan Paul; Tapan Kanti Paine","Copper(II) and Nickel(II) Complexes of β-Aminoketoxime Ligand: Syntheses, Crystal Structures, Magnetism, and Nickel(II) Templated Coupling of Oxime with Nitrile","Inorganic Chemistry","2010","49","","541","551","10.1021/ic901614p","","","0.71073","MoKα","","0.0569","0.0348","","","0.0814","0.0912","","","","","","1.009","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314580","8.58799","0.0001","9.78703","0.00012","21.8342","0.00026","90","","90","","90","","1835.18","0.04","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 Mg O10 P -","- C2 Mg O10 P -","- C16 Mg8 O80 P8 -","8","1","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda","Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids","Inorganic Chemistry","2010","49","","761","768","10.1021/ic902048b","powder diffraction","x-ray","1.5406","","","","","","","","","0.10216","","1.17","","","","","","","has coordinates","190780","2020-10-21","18:00:00",""
"4314581","8.6374","0.0007","9.6892","0.0009","11.8164","0.002","90","","90","","90","","988.9","0.2","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Mg O6 P -","- C2 Mg O6 P -","- C16 Mg8 O48 P8 -","8","1","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda","Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids","Inorganic Chemistry","2010","49","","761","768","10.1021/ic902048b","powder diffraction","x-ray","1.5406","","","","","","","","","0.07655","","3.18","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314584","10.19057","0.0001","9.69876","0.0001","10.82375","0.00009","90","","90","","90","","1069.78","0.018","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Mg Na O6 P -","- C2 Mg Na O6 P -","- C16 Mg8 Na8 O48 P8 -","8","1","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda","Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids","Inorganic Chemistry","2010","49","","761","768","10.1021/ic902048b","powder diffraction","x-ray","1.5406","","","","","","","","","0.06825","","3.17","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314585","8.74511","0.00016","9.8359","0.00018","16.8469","0.0004","90","","90","","90","","1449.1","0.05","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 O8 P Zn -","- C2 O8 P Zn -","- C16 O64 P8 Zn8 -","8","1","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda","Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids","Inorganic Chemistry","2010","49","","761","768","10.1021/ic902048b","powder diffraction","x-ray","1.5406","","","","","","","","","0.07599","","2.72","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314586","8.55368","0.0001","9.79697","0.00013","21.89928","0.00034","90","","90","","90","","1835.16","0.04","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 O10 P Zn -","- C2 O10 P Zn -","- C16 O80 P8 Zn8 -","8","1","","Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda","Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids","Inorganic Chemistry","2010","49","","761","768","10.1021/ic902048b","powder diffraction","x-ray","1.5406","","","","","","","","","0.06099","","1.57","","","","","","","has coordinates","190780","2020-10-21","18:00:00",""
"4314728","16.871","0.003","19.993","0.004","25.895","0.005","90","","90","","90","","8734","3","230","0.1","230","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex7","","","- C30 H60 Li2 N8 Si4 -","- C30 H60 Li2 N8 Si4 -","- C240 H480 Li16 N64 Si32 -","8","1","","Sinai Aharonovich; Mark Botoshanski; Ziv Rabinovich; Robert M. Waymouth; Moris S. Eisen","Lithium Furyl and Pyridyl Amidinates as Building Blocks in Coordination Polymers, Ladder and Cage Structures","Inorganic Chemistry","2010","49","","1220","1229","10.1021/ic902183c","","","0.71073","MoKα","","0.1121","0.0632","","","0.1687","0.1917","","","","","","1.062","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314736","10.8255","0.0002","14.8072","0.0002","32.7227","0.0008","90","","90","","90","","5245.3","0.18","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Cl2 N5 O9 Zn -","- C20 H29 Cl2 N5 O9 Zn -","- C160 H232 Cl16 N40 O72 Zn8 -","8","1","","James J. Danford; Atta M. Arif; Lisa M. Berreau","Thioester Hydrolysis Promoted by a Mononuclear Zinc Complex","Inorganic Chemistry","2010","49","","778","780","10.1021/ic902322h","","","0.71073","MoKα","","0.0661","0.0443","","","0.1054","0.116","","","","","","1.053","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4314765","17.6317","0.0008","20.8001","0.0008","22.7553","0.001","90","","90","","90","","8345.3","0.6","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C38 H28 Cl4 Mn2 N4 O15 -","- C38 H28 Cl4 Mn2 N4 O15 -","- C304 H224 Cl32 Mn16 N32 O120 -","8","1","","Verónica Gómez; Montserrat Corbella; Gabriel Aullón","Two Temperature-Independent Spinomers of the Dinuclear Mn(III) Compound [{Mn(H~2~O)(phen)}~2~(μ-2-ClC~6~H~4~COO)~2~(μ-O)](ClO~4~)~2~","Inorganic Chemistry","2010","49","","1471","1480","10.1021/ic901719t","","x-ray","0.7107","MoKα","","0.1015","0.0497","","","0.1071","0.1243","","","","","","0.991","","","","has coordinates,has disorder","179227","2020-10-21","18:00:00",""
"4314772","13.7371","0.0005","15.658","0.0005","19.9617","0.0007","90","","90","","90","","4293.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 Mn4 N28 O8 -","- C30 H28 Mn4 N28 O8 -","- C120 H112 Mn16 N112 O32 -","4","0.5","","Yan-Qin Wang; Qin-Xiang Jia; Kun Wang; Ai-Ling Cheng; En-Qing Gao","Diverse Manganese(II) Coordination Polymers with Mixed Azide and Zwitterionic Dicarboxylate Ligands: Structure and Magnetic Properties","Inorganic Chemistry","2010","49","","1551","1560","10.1021/ic901798y","","","0.71073","MoKα","","0.0562","0.0337","","","0.076","0.0874","","","","","","1.014","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314870","16.0378","0.0007","8.6175","0.0004","18.8053","0.0008","90","","90","","90","","2599","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Cl N3 Pd -","- C13 H16 Cl N3 Pd -","- C104 H128 Cl8 N24 Pd8 -","8","1","","John E. Bercaw; Alec C. Durrell; Harry B. Gray; Jennifer C. Green; Nilay Hazari; Jay A. Labinger; Jay R. Winkler","Electronic Structures of PdII Dimers","Inorganic Chemistry","2010","49","","1801","1810","10.1021/ic902189g","","","0.71073","MoKα","","0.037","0.0256","","","0.0532","0.0544","","","","","","1.58","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4314873","22.6656","0.0008","20.6781","0.0006","32.502","0.0013","90","","90","","90","","15233.1","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H56 Cl4 Cu7 N14 O8 -","- C70 H54 Cl4 Cu7 N14 O8 -","- C560 H432 Cl32 Cu56 N112 O64 -","8","1","","Jia-Ping Tong; Xiao-Jun Sun; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","In Situ C-C Coupling and Formation of a Heptanuclear Copper(II) Cluster","Inorganic Chemistry","2010","49","","1289","1291","10.1021/ic902205x","","","0.71073","MoKα","","0.1553","0.0587","","","0.1345","0.1521","","","","","","0.656","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4315013","9.9772","0.0006","19.1646","0.0012","28.2445","0.0018","90","","90","","90","","5400.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N O12 Yb -","- C28 H24 N O12 Yb -","- C224 H192 N8 O96 Yb8 -","8","1","","You-Wen Lin; Bo-Ren Jian; Sin-Chiang Huang; Chin-Her Huang; Kuei-Fang Hsu","Synthesis and Characterization of Three Ytterbium Coordination Polymers Featuring Various Cationic Species and a Luminescence Study of a Terbium Analogue With Open Channels","Inorganic Chemistry","2010","49","","2316","2324","10.1021/ic9021992","","","0.71073","MoKα","","0.045","0.0348","","","0.0853","0.0907","","","","","","1.019","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315107","27.0964","0.0007","17.7944","0.0005","27.4867","0.0005","90","","90","","90","","13253.1","0.6","293","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H74 Gd3 N11 O31 -","- C50 H50 Gd3 N11 O31 -","- C400 H400 Gd24 N88 O248 -","8","1","","Maryene A. Camargo; Ademir Neves; Bruno Szpoganicz; Adailton J. Bortoluzzi; Franciele L. Fischer; Hernán Terenzi; Eduardo E. Castellano","Synthesis, Structure, and Phosphatase-Like Activity of a New Trinuclear Gd Complex with the Unsymmetrical Ligand H3L As a Model for Nucleases","Inorganic Chemistry","2010","49","","3057","3063","10.1021/ic100276z","","x-ray","0.71073","MoKα","","0.0615","0.0445","","","0.1238","0.1353","","","","","","1.091","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315132","14.564","0.0006","15.3697","0.0006","45.7789","0.0018","90","","90","","90","","10247.3","0.7","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H72 N18 O14 P4 U -","- C24 H72 N18 O14 P4 U -","- C192 H576 N144 O112 P32 U8 -","8","1","","Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Franz Martin; Peter Mayer","First Actinide Complexes of the Nitrogen-Containing Ligands Dinitramide (N(NO2)2-), 4,5-Dicyano-1,2,3-triazolate (C4N5-), and Dicyanamide (N(CN)2-)","Inorganic Chemistry","2010","49","","2674","2683","10.1021/ic901820b","","","0.71073","MoKα","","0.0914","0.0898","","","0.1432","0.1438","","","","","","1.382","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315167","9.814","0.0018","11.7167","0.0015","19.958","0.003","90","","90","","90","","2294.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 B4 S2 V2 -","- C22 H26 B4 S2 V2 -","- C88 H104 B16 S8 V8 -","4","0.5","","Shubhankar Kumar Bose; K. Geetharani; V. Ramkumar; Babu Varghese; Sundargopal Ghosh","Chemistry of Vanadaboranes: Synthesis, Structures, and Characterization of Organovanadium Sulfide Clusters with Disulfido Linkage","Inorganic Chemistry","2010","49","","2881","2888","10.1021/ic9023597","","","0.71073","MoKα","","0.1178","0.0597","","","0.1397","0.1966","","","","","","1.025","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315244","18.2423","0.0011","14.5636","0.0008","23.586","0.0018","90","","90","","90","","6266.2","0.7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H35 B2 Cl Mg N6 O3 -","- C29 H35 B2 Cl Mg N6 O3 -","- C232 H280 B16 Cl8 Mg8 N48 O24 -","8","1","","Elena V. Mutseneck; Susanne Bieller; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Fourth Generation Scorpionates: Coordination Behavior of a New Class of Conformationally Flexible Mixed-Donor (Pyrazol-1-yl)borates","Inorganic Chemistry","2010","49","","3540","3552","10.1021/ic100104t","","","0.71073","MoKα","","0.0748","0.0422","","","0.0886","0.0975","","","","","","0.923","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315265","8.599","0.0011","11.2761","0.0015","13.7865","0.0018","90","","90","","90","","1336.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Plutonium(IV) methylenediphosphonate hydrate","","","- C H4 O7 P2 Pu -","- C H4 O7 P2 Pu -","- C8 H32 O56 P16 Pu8 -","8","1","","Juan Diwu; Anna-Gay D. Nelson; Shuao Wang; Charles F. Campana; Thomas E. Albrecht-Schmitt","Comparisons of Pu(IV) and Ce(IV) Diphosphonates","Inorganic Chemistry","2010","49","","3337","3342","10.1021/ic100184q","","","0.71073","MoKα","","0.0559","0.0319","","","0.0634","0.0716","","","","","","1.058","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315384","21.377","0.004","15.457","0.003","23.839","0.004","90","","90","","90","","7877","3","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H34 Ag2 F12 N14 O2 P2 -","- C28 H34 Ag2 F12 N14 O2 P2 -","- C224 H272 Ag16 F96 N112 O16 P16 -","8","1","","M. Pilar Carranza; Blanca R. Manzano; Félix A. Jalón; Ana M. Rodríguez; Lucía Santos; Miquel Moreno","First Examples of a Modulated Bridging μ2-1:2κ N-Triazine in Double Helical Silver Compounds. Experimental and Theoretical Evidence","Inorganic Chemistry","2010","49","","3828","3835","10.1021/ic902563d","","","0.71073","MoKα","","0.1385","0.0589","","","0.1408","0.1878","","","","","","0.99","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315405","16.7298","0.0014","16.5689","0.0014","22.2494","0.0019","90","","90","","90","","6167.4","0.9","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29.5 H35 Cl3 N4 P2 Ru -","- C29.5 H35 Cl3 N4 P2 Ru -","- C236 H280 Cl24 N32 P16 Ru8 -","8","1","","Lindsay J. Hounjet; Matthias Bierenstiel; Michael J. Ferguson; Robert McDonald; Martin Cowie","Coordinatively Diverse ortho-Phosphinoaniline Complexes of Ruthenium and Isolation of a Putative Intermediate in Ketone Transfer Hydrogenation Catalysis","Inorganic Chemistry","2010","49","","4288","4300","10.1021/ic100165t","","","0.71073","MoKα","","0.0369","0.0299","","","0.0705","0.0742","","","","","","1.09","","","","has coordinates,has disorder","179234","2020-10-21","18:00:00",""
"4315416","18.324","0.004","13.677","0.003","23.463","0.005","90","","90","","90","","5880","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H20 F6 N2 O8 S3 -","- C28 H20 F6 N2 O8 S3 -","- C224 H160 F48 N16 O64 S24 -","8","1","","Caleb D. Martin; Paul J. Ragogna","Reactions of α-Diimine Ligands with the in Situ Generated ""S(OTf)2"" Synthon","Inorganic Chemistry","2010","49","","4324","4330","10.1021/ic100320u","","","0.71073","MoKα","","0.1199","0.0601","","","0.1439","0.1749","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315439","16.9255","0.0004","25.2671","0.0005","25.3322","0.0006","90","","90","","90","","10833.5","0.4","100","2","100","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","","","- C60 H51 Cl2 Cu2 N9 O8 -","- C60 H51 Cl2 Cu2 N9 O8 -","- C480 H408 Cl16 Cu16 N72 O64 -","8","1","","L. Lemus; J. Guerrero; J. Costamagna; G. Estiu; G. Ferraudi; A. Graham Lappin; A. Oliver; B. C. Noll","Unfolding of the [Cu2(1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane)2]2+ Helicate. Coupling of the Chlorocarbon Dehalogenation to the Unfolding Process","Inorganic Chemistry","2010","49","","4023","4035","10.1021/ic9018986","","x-ray","0.71073","MoKα","","0.0577","0.0385","","","0.0921","0.1015","","","","","","1.028","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315555","9.9223","0.0004","9.7972","0.0004","27.6193","0.0011","90","","90","","90","","2684.89","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Fe O S2 -","- C14 H14 Fe O S2 -","- C112 H112 Fe8 O8 S16 -","8","1","","B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh","Thiomethoxychalcone-Functionalized Ferrocene Ligands as Selective Chemodosimeters for Mercury(II): Single-Crystal X-ray Structural Signature of the [Hg8(μ8-S)(SCH3)12]2+ Cluster","Inorganic Chemistry","2010","49","","4447","4457","10.1021/ic902300c","","","0.71073","MoKα","","0.0429","0.0302","","","0.0702","0.0763","","","","","","1.015","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315623","16.7492","0.0012","10.4449","0.0007","33.515","0.003","90","","90","","90","","5863.2","0.8","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H54 B6 N3 P2 U -","- C12 H54 B6 N3 P2 U -","- C96 H432 B48 N24 P16 U8 -","8","1","","Scott R. Daly; Gregory S. Girolami","Synthesis, Characterization, and Structures of Uranium(III) N,N-Dimethylaminodiboranates","Inorganic Chemistry","2010","49","","5157","5166","10.1021/ic100290j","","","0.71073","MoKα","","0.0452","0.0234","","","0.0474","0.0512","","","","","","1.01","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315629","23.614","0.005","16.524","0.004","25.317","0.006","90","","90","","90","","9879","4","157","2","157","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C33 H40 Cl2 Cr I Mn N3 O15 P4 -","- C33 H40 Cl2 Cr I Mn N3 O15 P4 -","- C264 H320 Cl16 Cr8 I8 Mn8 N24 O120 P32 -","8","1","","Hemamala I. Karunadasa; Kristine D. Arquero; Louise A. Berben; Jeffrey R. Long","Enhancing the Magnetic Anisotropy of Cyano-Ligated Chromium(II) and Chromium(III) Complexes via Heavy Halide Ligand Effects","Inorganic Chemistry","2010","49","","4738","4740","10.1021/ic1002995","","","0.71073","MoKα","","0.084","0.0562","","","0.1628","0.1778","","","","","","1.253","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315656","15.6701","0.001","17.9508","0.0011","36.833","0.002","90","","90","","90","","10360.8","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Mn2 N9 O21 Y2 -","- C40 H53 Mn2 N9 O21 Y2 -","- C320 H424 Mn16 N72 O168 Y16 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.71073","MoKα","","0.1005","0.0386","","","0.0493","0.0569","","","","","","0.791","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315657","15.7824","0.0008","18.0167","0.0009","36.8863","0.0017","90","","90","","90","","10488.5","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Mn2 N9 O21 Pr2 -","- C40 H53 Mn2 N9 O21 Pr2 -","- C320 H424 Mn16 N72 O168 Pr16 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.71073","MoKα","","0.0647","0.0393","","","0.0666","0.0718","","","","","","0.995","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315658","15.8109","0.0008","18.0655","0.0009","36.9519","0.0018","90","","90","","90","","10554.6","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Mn2 N9 Nd2 O21 -","- C40 H53 Mn2 N9 Nd2 O21 -","- C320 H424 Mn16 N72 Nd16 O168 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.71073","MoKα","","0.0612","0.0411","","","0.077","0.0825","","","","","","1.014","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315659","15.7188","0.0002","17.9802","0.0003","36.8419","0.0006","90","","90","","90","","10412.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Gd2 Mn2 N9 O21 -","- C40 H53 Gd2 Mn2 N9 O21 -","- C320 H424 Gd16 Mn16 N72 O168 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.71073","MoKα","","0.0953","0.0362","","","0.0686","0.0869","","","","","","1.023","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315660","15.6934","0.0008","17.9446","0.0009","36.8186","0.0019","90","","90","","90","","10368.6","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Mn2 N9 O21 Tb2 -","- C40 H53 Mn2 N9 O21 Tb2 -","- C320 H424 Mn16 N72 O168 Tb16 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.71073","MoKα","","0.0441","0.028","","","0.0505","0.0531","","","","","","0.992","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315661","15.6516","0.0013","17.8928","0.0015","36.775","0.003","90","","90","","90","","10298.9","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Dy2 Mn2 N9 O21 -","- C40 H53 Dy2 Mn2 N9 O21 -","- C320 H424 Dy16 Mn16 N72 O168 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.71073","MoKα","","0.0409","0.0269","","","0.0532","0.0555","","","","","","1.012","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315662","15.653","0.0005","17.9691","0.0004","36.8519","0.0008","90","","90","","90","","10365.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Ho2 Mn2 N9 O21 -","- C40 H53 Ho2 Mn2 N9 O21 -","- C320 H424 Ho16 Mn16 N72 O168 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.8","synchrotron","","0.0419","0.036","","","0.0831","0.086","","","","","","1.053","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315663","15.6185","0.0004","17.9341","0.0004","36.797","0.0009","90","","90","","90","","10307","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H53 Mn2 N9 O21 Yb2 -","- C39.98 H50 Mn2 N8.99 O21 Yb2 -","- C319.84 H400 Mn16 N71.92 O168 Yb16 -","8","1","","Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell","Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","5293","5302","10.1021/ic100373r","","","0.8","synchrotron","","0.0371","0.0304","","","0.0665","0.0694","","","","","","1.07","","","","has coordinates,has disorder","179236","2020-10-21","18:00:00",""
"4315673","10.4517","0.0009","15.8232","0.0013","24.852","0.002","90","","90","","90","","4110","0.6","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ds-dpm","","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C184 H176 N32 O16 S8 -","8","1","","Justin J. Wilson; Juliana Fedoce Lopes; Stephen J. Lippard","Synthesis, Characterization, and Photophysical Properties of Three Platinum(II) Complexes Bearing Fluorescent Analogues of the Di-2-pyridylmethane Ligand","Inorganic Chemistry","2010","49","","5303","5315","10.1021/ic100411p","","","0.71073","MoKα","","0.0441","0.0353","","","0.0886","0.0945","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315731","16.9954","0.0005","12.393","0.0004","39.366","0.001","90","","90","","90","","8291.4","0.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","P b c a","-P 2ac 2ab","61","","","","- C8 H18 F12 N2 P2 Pt S3 -","- C8 H18 F12 N2 P2 Pt S3 -","- C128 H288 F192 N32 P32 Pt16 S48 -","16","2","","Esther Pierce; Étienne Lanthier; Caroline Genre; Yurii Chumakov; Dominique Luneau; Christian Reber","Interaction of Thioether Groups at the Open Coordination Sites of Palladium(II) and Platinum(II) Complexes Probed by Luminescence Spectroscopy at Variable Pressure","Inorganic Chemistry","2010","49","","4901","4908","10.1021/ic9024958","","","1.54178","CuKα","","0.0548","0.0468","","","0.1196","0.1239","","","","","","0.994","","","","has coordinates,has disorder","179237","2020-10-21","18:00:00",""
"4315740","19.6863","0.0012","13.1562","0.0008","20.1573","0.001","90","","90","","90","","5220.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H45 In N2 O -","- C25 H45 In N2 O -","- C200 H360 In8 N16 O8 -","8","1","","Alberto Acosta-Ramírez; Amy F. Douglas; Insun Yu; Brian O. Patrick; Paula L. Diaconescu; Parisa Mehrkhodavandi","Synthesis and Structural Studies of Chiral Indium(III) Complexes Supported by Tridentate Diaminophenol Ligands","Inorganic Chemistry","2010","49","","5444","5452","10.1021/ic100185m","","","0.71073","MoKα","","0.0493","0.027","","","0.0536","0.0615","","","","","","1.021","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315753","15.2821","0.0009","17.283","0.0012","19.0543","0.0008","90","","90","","90","","5032.6","0.5","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","VL-73 (CH2Cl2/hexano)","","","- C27 H33 Au Cl Sb -","- C27 H33 Au Cl Sb -","- C216 H264 Au8 Cl8 Sb8 -","8","1","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru","Study of the Coordination Abilities of Stibine Ligands to Gold(I)","Inorganic Chemistry","2010","49","","5530","5541","10.1021/ic1003484","","x-ray","0.71073","MoKα","","0.0367","0.0265","","","0.0551","0.0589","","","","","","1.106","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315769","14.546","0.002","13.335","0.002","34.811","0.006","90","","90","","90","","6752.3","1.8","90","0.5","90","0.5","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H21 B F4 N3 O3 Re -","- C11 H21 B F4 N3 O3 Re -","- C176 H336 B16 F64 N48 O48 Re16 -","16","2","","Theshini Perera; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","NH NMR Shifts of New Structurally Characterized fac-[Re(CO)3(polyamine)]n+ Complexes Probed via Outer-Sphere Hydrogen-Bonding Interactions to Anions, Including the Paramagnetic [ReIVBr6]2- Anion","Inorganic Chemistry","2010","49","","5560","5572","10.1021/ic100386c","","","0.71073","MoKα","","0.086","0.034","","","0.079","0.094","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315772","13.255","0.0015","12.756","0.002","17.512","0.003","90","","90","","90","","2960.9","0.8","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N3 O3 P Re -","- C8 H15 F6 N3 O3 P Re -","- C64 H120 F48 N24 O24 P8 Re8 -","8","1","","Theshini Perera; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","NH NMR Shifts of New Structurally Characterized fac-[Re(CO)3(polyamine)]n+ Complexes Probed via Outer-Sphere Hydrogen-Bonding Interactions to Anions, Including the Paramagnetic [ReIVBr6]2- Anion","Inorganic Chemistry","2010","49","","5560","5572","10.1021/ic100386c","","","0.71073","MoKα","","0.065","0.036","","","0.072","0.08","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315785","16.616","0.005","21.607","0.006","22.366","0.007","90","","90","","90","","8030","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H56 B20 Co N S4 -","- C20 H56 B20 Co N S4 -","- C160 H448 B160 Co8 N8 S32 -","8","1","","Yuguang Li; Qibai Jiang; Yizhi Li; Xujie Shen; Hong Yan; Vladimir I. Bregadze","Ligand-to-Metal Ratio Controlled Assembly of Cobalt Complexes Containing ortho-Carborane Thiolato and Butyl Thiolato Ligands","Inorganic Chemistry","2010","49","","5584","5590","10.1021/ic100497h","","","0.71073","MoKα","","0.0994","0.0558","","","0.1011","0.1099","","","","","","1.013","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315788","16.152","0.004","20.159","0.005","20.159","0.004","90","","90","","90","","6564","3","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H86 B20 Co4 O S10 -","- C38 H86 B20 Co4 O S10 -","- C152 H344 B80 Co16 O4 S40 -","4","0.5","","Yuguang Li; Qibai Jiang; Yizhi Li; Xujie Shen; Hong Yan; Vladimir I. Bregadze","Ligand-to-Metal Ratio Controlled Assembly of Cobalt Complexes Containing ortho-Carborane Thiolato and Butyl Thiolato Ligands","Inorganic Chemistry","2010","49","","5584","5590","10.1021/ic100497h","","","0.71073","MoKα","","0.1163","0.0616","","","0.1059","0.116","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315797","10.762","0.004","25.444","0.01","31.929","0.013","90","","90","","90","","8743","6","198","2","198","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H37 Cl F6 Ir N4 P -","- C50 H37 Cl F6 Ir N4 P -","- C400 H296 Cl8 F48 Ir8 N32 P8 -","8","1","","Sébastien Ladouceur; Daniel Fortin; Eli Zysman-Colman","Role of Substitution on the Photophysical Properties of 5,5'-Diaryl-2,2'-bipyridine (bpy*) in [Ir(ppy)2(bpy*)]PF6 Complexes: A Combined Experimental and Theoretical Study","Inorganic Chemistry","2010","49","","5625","5641","10.1021/ic100521t","","","0.71073","MoKα","","0.18","0.0637","","","0.1305","0.1585","","","","","","0.942","","","","has coordinates,has disorder","179237","2020-10-21","18:00:00",""
"4315833","20.4466","0.0006","18.6128","0.0005","21.8398","0.0006","90","","90","","90","","8311.5","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H66 Al Na O4 -","- C40 H66 Al Na O4 -","- C320 H528 Al8 Na8 O32 -","8","1","","Jincai Wu; Xiaobo Pan; Ning Tang; Chu-Chieh Lin","Bulky Bisphenol Ligand-Supported Aluminum-Sodium Inverse Crown Ether Complex","Inorganic Chemistry","2010","49","","5362","5364","10.1021/ic1006555","","","0.71073","MoKα","","0.1584","0.0598","","","0.1441","0.1891","","","","","","0.989","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315938","14.4741","0.0017","15.3546","0.0018","23.826","0.003","90","","90","","90","","5295.2","1.1","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 Ir N6 -","- C33 H25 Ir N6 -","- C264 H200 Ir8 N48 -","8","1","","Kenneth Hanson; Arnold Tamayo; Vyacheslav V. Diev; Matthew T. Whited; Peter I. Djurovich; Mark E. Thompson","Efficient Dipyrrin-Centered Phosphorescence at Room Temperature from Bis-Cyclometalated Iridium(III) Dipyrrinato Complexes","Inorganic Chemistry","2010","49","","6077","6084","10.1021/ic100633w","","","0.71073","MoKα","","0.0359","0.0279","","","0.0709","0.0759","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315987","14.2517","0.0009","9.4012","0.0006","24.4416","0.0015","90","","90","","90","","3274.8","0.4","296","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H21 N3 O12 P2 V2 -","- C6 H21 N3 O12 P2 V2 -","- C48 H168 N24 O96 P16 V16 -","8","1","","Ya-Ching Yang; Yi-Chun Lai; Joel R. Salazar; Vítĕzslav Zima; Kwang-Hua Lii; Sue-Lein Wang","Untypical [VOPO4]-Layer in Vanadyl Phosphates with Variant Interlayer Gap of Double-Tiered Template","Inorganic Chemistry","2010","49","","6196","6202","10.1021/ic100898g","","","0.71073","MoKα","","0.0414","0.0318","","","0.0879","0.0927","","","","","","1.016","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315988","20.1745","0.0006","14.1816","0.0004","24.8676","0.0008","90","","90","","90","","7114.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H54 B K N10 O6 -","- C26 H54 B K N10 O6 -","- C208 H432 B8 K8 N80 O48 -","8","1","","Dongmei Lu; Charles H. Winter","Complexes of the [K(18-Crown-6)]+ Fragment with Bis(tetrazolyl)borate Ligands: Unexpected Boron-Nitrogen Bond Isomerism and Associated Enforcement of κ3-N,N',H-Ligand Chelation","Inorganic Chemistry","2010","49","","5795","5797","10.1021/ic100959j","","","0.71073","MoKα","","0.0733","0.0385","","","0.0818","0.0943","","","","","","0.997","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4316103","19.171","0.002","19.282","0.001","29.746","0.002","90","","90","","90","","10995.8","1.5","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H65 Cl N O17 Tl -","- C58 H63 Cl N O17 Tl -","- C464 H504 Cl8 N8 O136 Tl8 -","8","1","","Hedayat Haddadi; Naader Alizadeh; Mojtaba Shamsipur; Zouhair Asfari; Vito Lippolis; Carla Bazzicalupi","Cation-π Interaction in Complex Formation Between Tl+ Ion and Calix[4]crown-6 and Some Calix[4]biscrown-6 Derivatives: Thallium-203 NMR, Proton NMR, and X-ray Evidence","Inorganic Chemistry","2010","49","","6874","6882","10.1021/ic100097v","","","0.7107","MoKα","","0.1027","0.0516","","","0.122","0.1343","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316105","20.0952","0.0007","21.5969","0.0008","31.3188","0.0011","90","","90","","90","","13592.2","0.8","293.1","","293.1","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C53.6 H75.4 Ir N0.8 P2 Pd Re2 S8 Si4 -","- C53.6 H42.4 Ir N0.8 P2 Pd Re2 S8 Si4 -","- C428.8 H339.2 Ir8 N6.4 P16 Pd8 Re16 S64 Si32 -","8","1","","Rie Shibata; Hidetake Seino; Shunpei Fujii; Yasushi Mizobe","Core Conversion Reactions of the Cubane-Type Metal-Sulfido Clusters: Shape Shift, Contraction, and Expansion of the MM'Re2S4 Cubanes (M = Ir, Rh, Ru; M' = Pt, Pd)","Inorganic Chemistry","2010","49","","6889","6896","10.1021/ic100339f","","","0.7107","MoKα","","","0.0426","","","","0.1315","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316120","17.6096","0.0004","9.7609","0.0002","27.6001","0.0005","90","","90","","90","","4744.06","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H15 I3 Mo N2 O3 S2 -","- C17 H15 I3 Mo N2 O3 S2 -","- C136 H120 I24 Mo8 N16 O24 S16 -","8","1","","Héctor Martínez-García; Dolores Morales; Julio Pérez; Marcos Puerto; Daniel Miguel","1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral Molybdenum, Manganese, and Rhenium Carbonyl Complexes and Copper and Silver Dimers. Copper-Catalyzed Carbene- and Nitrene-Transfer Reactions","Inorganic Chemistry","2010","49","","6974","6985","10.1021/ic1006082","","","1.54184","CuKα","","0.0648","0.0609","","","0.1651","0.1699","","","","","","1.059","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316150","7.2616","0.0013","17.097","0.003","21.55","0.004","90","","90","","90","","2675.5","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ba H6 N4 O32 U6 -","- Ba H6 N4 O32 U6 -","- Ba4 H24 N16 O128 U24 -","4","0.5","","Daniel K. Unruh; Michelle Baranay; Melissa Baranay; Peter C. Burns","Uranium(VI) Tetraoxido Core Coordinated by Bidentate Nitrate","Inorganic Chemistry","2010","49","","6793","6795","10.1021/ic100871z","","","0.71073","MoKα","","0.0549","0.0346","","","0.0813","0.0907","","","","","","1.038","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316208","7.2675","0.0008","17.12","0.002","21.551","0.002","90","","90","","90","","2681.4","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H3 K N2 O16 U3 -","- H3 K N2 O16 U3 -","- H24 K8 N16 O128 U24 -","8","1","","Daniel K. Unruh; Michelle Baranay; Melissa Baranay; Peter C. Burns","Uranium(VI) Tetraoxido Core Coordinated by Bidentate Nitrate","Inorganic Chemistry","2010","49","","6793","6795","10.1021/ic100871z","","","0.71073","MoKα","","0.1265","0.06","","","0.1121","0.1366","","","","","","0.965","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316266","18.793","0.013","12.942","0.009","30.753","0.005","90","","90","0.017","90","","7480","7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H61 N2 O4 V -","- C37 H61 N2 O4 V -","- C296 H488 N16 O32 V8 -","8","1","","Sónia Barroso; Pedro Adão; Filipe Madeira; M. Teresa Duarte; João Costa Pessoa; Ana M. Martins","Vanadium Diaminebis(phenolate) Complexes: Syntheses, Structures, and Reactivity in Sulfoxidation Catalysis","Inorganic Chemistry","2010","49","","7452","7463","10.1021/ic1007704","","x-ray","0.71069","MoKα","","0.2563","0.0748","","","0.1391","0.179","","","","","","0.843","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316359","24.548","0.005","23.536","0.005","26.769","0.005","90","","90","","90","","15466","5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H104 Mn6 N2 O27 -","- C62 H104 Mn6 N2 O27 -","- C496 H832 Mn48 N16 O216 -","8","1","","Iurii L. Malaestean; Victor Ch. Kravtsov; Manfred Speldrich; Galina Dulcevscaia; Yurii A. Simonov; Janusz Lipkowski; Arkady Ellern; Svetlana G. Baca; Paul Kögerler","One-Dimensional Coordination Polymers from Hexanuclear Manganese Carboxylate Clusters Featuring a {MnII4MnIII2(μ4-O)2} Core and Spacer Linkers","Inorganic Chemistry","2010","49","","7764","7772","10.1021/ic100541m","","","0.71073","MoKα","","0.0941","0.0475","","","0.0876","0.0973","","","","","","1.003","","","","has coordinates,has disorder","179243","2020-10-21","18:00:00",""
"4316402","8.4471","0.0006","20.1912","0.0014","21.601","0.0014","90","","90","","90","","3684.2","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Cu3 N9 O6 -","- C15 H10 Cu3 N9 O6 -","- C120 H80 Cu24 N72 O48 -","8","1","","En-Cui Yang; Zhong-Yi Liu; Xiang-Jun Shi; Qing-Qing Liang; Xiao-Jun Zhao","Two 3D Triazolate-Tricarboxylate-Bridged CuII/I Frameworks by One-Pot Hydrothermal Synthesis Exhibiting Spin-Canted Antiferromagnetism and Strong Antiferromagnetic Couplings","Inorganic Chemistry","2010","49","","7969","7975","10.1021/ic100880j","","","0.71073","MoKα","","0.035","0.0265","","","0.0602","0.064","","","","","","1.049","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316436","15.5535","0.0008","16.8415","0.0008","26.588","0.0012","90","","90","","90","","6964.6","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H28 Fe N4 O4 P S2 -","- C38 H28 Fe N4 O4 P S2 -","- C304 H224 Fe8 N32 O32 P8 S16 -","8","1","","Jheng-Hong Wang; Chien-Hong Chen","New Members of the {Fe(NO)2}10 Dinitrosyliron Complexes Bound with [Thiolate, Thiolate] and [Amide, Amide] Ligations","Inorganic Chemistry","2010","49","","7644","7646","10.1021/ic101126v","","","0.71073","MoKα","","0.0769","0.0506","","","0.1063","0.1172","","","","","","1.042","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316563","14.572","0.005","27.174","0.009","20.16","0.007","90","","90","","90","","7983","5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H33 N4 O3 Re -","- C54 H33 N4 O3 Re -","- C432 H264 N32 O24 Re8 -","8","1","","Motoki Toganoh; Takayoshi Hihara; Hiroyuki Furuta","N-Heterocyclic Carbene Embedded in an N-Confused Porphyrin Framework","Inorganic Chemistry","2010","49","","8182","8184","10.1021/ic1016356","","","0.710747","MoKα","","0.0451","0.0421","","","0.1001","0.1022","","","","","","1.181","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316624","17.1829","0.0015","13.0958","0.0011","27.663","0.002","90","","90","","90","","6224.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Mo O4 P -","- C32 H39.05 Mo O4 P -","- C256 H312.4 Mo8 O32 P8 -","8","1","","María Alonso; M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz","Chemistry of the Oxophosphinidene Ligand. 1. Electronic Structure of the Anionic Complexes [MCp{P(O)R*}(CO)2]- (M = Mo, W; R* = 2,4,6-C6H2tBu3) and Their Reactions with H+ and C-Based Electrophiles.","Inorganic Chemistry","2010","49","","8962","8976","10.1021/ic101261f","","","0.71073","MoKα","","0.1837","0.0652","","","0.1084","0.1428","","","","","","0.944","","","","has coordinates,has disorder","179246","2020-10-21","18:00:00",""
"4316657","16.4561","0.0006","17.7706","0.0007","18.0793","0.0007","90","","90","","90","","5287","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H64 N24 O22 -","- C45 H64 N24 O22 -","- C180 H256 N96 O88 -","4","0.5","","Pierre Thuéry","Second-Sphere Tethering of Rare-Earth Ions to Cucurbit[6]uril by Iminodiacetic Acid Involving Carboxylic Group Encapsulation","Inorganic Chemistry","2010","49","","9078","9085","10.1021/ic101396a","","","0.71073","MoKα","","0.0757","0.0555","","","0.1382","0.1497","","","","","","1.012","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316719","15.886","0.0008","11.78","0.0006","16.277","0.0012","90","","90","","90","","3046","0.3","240","2","240","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","complex5 (Sinay)","","","- C16 H12 F4 Li N3 O -","- C16 H12 F4 Li N3 O -","- C128 H96 F32 Li8 N24 O8 -","8","1","","Sinai Aharonovich; Mark Botoshansky; Robert M. Waymouth; Moris S. Eisen","Chemoselectivity Diversity in the Reaction of LiNC6F5SiMe3 with Nitriles and the Synthesis, Structure, and Reactivity of Zirconium Mono- and Tris[2-(2-pyridyl)tetrafluorobenzimidazolate] Complexes","Inorganic Chemistry","2010","49","","9217","9229","10.1021/ic100696r","","","0.71073","MoKα","","0.0783","0.0418","","","0.0935","0.1039","","","","","","0.929","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316776","7.4875","0.0005","14.295","0.0008","28.8098","0.0018","90","","90","","90","","3083.6","0.3","228","2","228","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H16 K N2 O6 P -","- C11 H16 K N2 O6 P -","- C88 H128 K8 N16 O48 P8 -","8","1","","Sylvie Pailloux; Cornel Edicome Shirima; Karen Ann Smith; Eileen N. Duesler; Robert T. Paine; Neil J. Williams; Robert D. Hancock","Synthesis and Reactivity of (Benzoxazol-2-ylmethyl)phosphonic Acid","Inorganic Chemistry","2010","49","","9369","9379","10.1021/ic101079b","","","0.71073","MoKα","","0.0644","0.0516","","","0.1332","0.1424","","","","","","1.13","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316838","5.839","0.003","6.037","0.003","15.071","0.009","90","","90","","90","","531.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- I2 O6 Pd -","- I2 O6 Pd -","- I8 O24 Pd4 -","4","0.5","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Jiang-Gao Mao","Polar or Non-Polar? Syntheses, Crystal Structures, and Optical Properties of Three New Palladium(II) Iodates","Inorganic Chemistry","2010","49","","9581","9589","10.1021/ic101370v","","","0.71073","MoKα","","0.031","0.0263","","","0.0583","0.06","","","","","","1.05","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316864","18.0902","0.0005","19.6306","0.0005","34.351","0.001","90","","90","","90","","12198.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 2 in text","","","- C46 H104 Cr2 N2 P8 Si2 -","- C46 H104 Cr2 N2 P8 Si2 -","- C368 H832 Cr16 N16 P64 Si16 -","8","1","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Unusual Electronic Effects Imparted by Bridging Dinitrogen: an Experimental and Theoretical Investigation","Inorganic Chemistry","2010","49","","9497","9507","10.1021/ic101528d","","","0.71073","MoKα","","0.1062","0.0621","","","0.1511","0.1796","","","","","","1.028","","","","has coordinates,has disorder","179248","2020-10-21","18:00:00",""
"4316898","10.751","0.002","19.283","0.004","19.935","0.004","90","","90","","90","","4132.8","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 Pt -","- C24 H32 N2 Pt -","- C192 H256 N16 Pt8 -","8","1","","Sayandev Chatterjee; Jeanette A. Krause; Allen G. Oliver; William B. Connick","Intramolecular NH...Pt Interactions of Platinum(II) Diimine Complexes with Phenyl Ligands","Inorganic Chemistry","2010","49","","9798","9808","10.1021/ic1007582","","","0.7749","synchrotron","","0.0438","0.0284","","","0.0661","0.0737","","","","","","1.017","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316944","10.0794","0.0007","12.1531","0.0008","19.5908","0.0011","90","","90","","90","","2399.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl3 N3 O4 -","- C6 H18 Cl3 N3 O4 -","- C48 H144 Cl24 N24 O32 -","8","1","","Christian Neis; David Petry; Alexandre Demangeon; Bernd Morgenstern; Dirk Kuppert; Jochen Huppert; Stefan Stucky; Kaspar Hegetschweiler","Facially Coordinating Triamine Ligands with a Cyclic Backbone: Some Structure-Stability Correlations","Inorganic Chemistry","2010","49","","10092","10107","10.1021/ic101360d","","","0.71073","MoKα","","0.0332","0.0277","","","0.0727","0.0764","","","","","","1.043","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4316958","13.9395","0.0002","24.2919","0.0003","33.8474","0.0004","90","","90","","90","","11461.3","0.3","100","2","100","2","","","","","","","Maria Lopez","6","P b c a","-P 2ac 2ab","61","","","","- C48 H52 Cl2 N22 Ni4 O16 -","- C46 H44 Cl2 N22 Ni4 O14 -","- C368 H352 Cl16 N176 Ni32 O112 -","8","1","","M. A. Palacios; Antonio J. Mota; Jesús E. Perea-Buceta; Fraser J. White; Euan K. Brechin; Enrique Colacio","Antiferromagnetic versus Ferromagnetic Exchange Interactions in Bis(μ-Ooximate)dinickel(II) Units for a Series of Closely Related Cube Shaped Carboxamideoximate-Bridged Ni4 Complexes. A Combined Experimental and Theoretical Magneto-Structural Study","Inorganic Chemistry","2010","49","","10156","10165","10.1021/ic101435b","","","0.7107","MoKα","","0.0391","0.0291","","","0.0778","0.0796","","","","","","1.08","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4317016","7.2477","0.0014","14.614","0.003","16.473","0.003","90","","90","","90","","1744.8","0.6","100","","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H7 Cl3 Mn N2 O -","- C3 H7 Cl3 Mn N2 O -","- C24 H56 Cl24 Mn8 N16 O8 -","8","1","","Christopher J. Adams; Mukhtar A. Kurawa; A. Guy Orpen","Coordination Chemistry in the Solid State: Reactivity of Manganese and Cadmium Chlorides with Imidazole and Pyrazole and Their Hydrochlorides","Inorganic Chemistry","2010","49","","10475","10485","10.1021/ic101403j","","","0.71073","MoKα","","0.0217","0.0189","","","0.0458","0.047","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317063","9.2913","0.0011","16.765","0.002","18.581","0.002","90","","90","","90","","2894.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(1,12-Dicarba-closo-dodecaboran-2-yl)benzamide","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C72 H136 B80 N8 O8 -","8","1","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.1308","0.0523","","","0.1089","0.1484","","","","","","1.077","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317067","9.8724","0.0006","12.3584","0.0007","23.4281","0.0014","90","","90","","90","","2858.4","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(1,2-Dicarba-closo-dodecaboran-3-yl)benzamide","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C72 H136 B80 N8 O8 -","8","1","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.0383","0.0356","","","0.0952","0.0977","","","","","","1.076","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317069","14.2674","0.0019","10.6374","0.0014","20.507","0.003","90","","90","","90","","3112.3","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N'-(1,7-dicarba-closo-dodecaboran-9,10-diyl) bis(trifluoroacetamide)","","- C6 H12 B10 F6 N2 O2 -","- C6 H12 B10 F6 N2 O2 -","- C48 H96 B80 F48 N16 O16 -","8","1","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.0646","0.0536","","","0.129","0.136","","","","","","1.041","","","","has coordinates,has disorder","179250","2020-10-21","18:00:00",""
"4317105","13.9752","0.0006","23.6688","0.0009","25.4085","0.001","90","","90","","90","","8404.5","0.6","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C26.75 H35.5 Cl1.5 Cu4.25 I5.25 K N2 O4 S2 -","- C26.75 H35.5 Cl1.5 Cu4.25 I5.25 K N2 O4 S2 -","- C214 H284 Cl12 Cu34 I42 K8 N16 O32 S16 -","8","1","","Yongnu Jin; Hyun Jee Kim; Jai Young Lee; So Young Lee; Won Joon Shim; Sang Hee Hong; Shim Sung Lee","Hard/Soft Heterometallic Network Complex of a Macrocycle with Endo/Exocyclic Coordination","Inorganic Chemistry","2010","49","","10241","10243","10.1021/ic101880r","","","0.71073","MoKα","","0.0502","0.0453","","","0.1044","0.1063","","","","","","1.281","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317445","20.9907","0.0018","16.3968","0.0013","21.7003","0.0019","90","","90","","90","","7468.8","1.1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H30.5 N4 O12.75 P2 Pr -","- C32 H30.5 N4 O12.75 P2 Pr -","- C256 H244 N32 O102 P16 Pr8 -","8","1","","Robert T. Paine; Evelyn M. Bond; S. Parveen; Nathan Donhart; Eileen N. Duesler; Karen Ann Smith; Heinrich Nöth","Synthesis and Coordination Properties of 1-(Diphenylphosphine oxide)-1-(2'-pyridyl N-oxide)-3-(diphenylphosphine oxide)propane","Inorganic Chemistry","2002","41","","444","448","10.1021/ic0109041","","","0.71073","MoKα","","0.0922","0.0489","","","0.1125","0.1365","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317459","13.306","0.0002","23.8348","0.0002","20.566","0.0003","90","","90","","90","","6522.42","0.15","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H32 Cl4 N O2 P2 Re2 -","- C30 H32 Cl4 N O2 P2 Re2 -","- C240 H256 Cl32 N8 O16 P16 Re16 -","8","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Unsymmetrical Dirhenium Complexes That Contain [Re2]6+ and [Re2]5+ Cores Complexed by Tridentate Ligands with P2O and P2N Donor Sets","Inorganic Chemistry","2002","41","","405","412","10.1021/ic010983g","","","0.71073","MO-Kα","","","0.035","","","","0.078","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317521","21.384","0.002","18.039","0.002","25.375","0.003","90","","90","","90","","9788.3","1.8","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H66 Al Cl2 N2 O5 P -","- C49 H66 Al Cl2 N2 O5 P -","- C392 H528 Al8 Cl16 N16 O40 P8 -","8","1","","Y. Wang; S. Parkin; D. Atwood","Ligand-Tetrahydrofuran Coupling in Chelated Aluminum Phosphinates","Inorganic Chemistry","2002","41","","558","565","10.1021/ic0110326","","","0.71073","MoKα","","0.1005","0.0747","","","0.1595","0.1712","","","","","","1.112","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317576","19.805","0.003","8.532","0.004","23.076","0.002","90","","90","","90","","3899","2","296.2","","296.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 Cl6 Hg P2 Pt -","- C38 H32 Cl6 Hg P2 Pt -","- C152 H128 Cl24 Hg4 P8 Pt4 -","4","0.5","","Martin A. Bennett; Maria Contel; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Bis{(2-diphenylphosphino)phenyl}mercury: A P-Donor Ligand and Precursor to Mixed Metal-Mercury (d8-d10) Cyclometalated Complexes Containing 2-C6H4PPh2","Inorganic Chemistry","2002","41","","844","855","10.1021/ic010890z","","","0.7107","MoKα","","0.1335","0.0342","","0.0441","","0.0325","","","1.22","","","1.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317577","19.455","0.003","8.496","0.005","22.858","0.003","90","","90","","90","","3778","2","183.2","","183.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 Cl6 Hg Ni P2 -","- C38 H32 Cl6 Hg Ni P2 -","- C152 H128 Cl24 Hg4 Ni4 P8 -","4","0.5","","Martin A. Bennett; Maria Contel; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Bis{(2-diphenylphosphino)phenyl}mercury: A P-Donor Ligand and Precursor to Mixed Metal-Mercury (d8-d10) Cyclometalated Complexes Containing 2-C6H4PPh2","Inorganic Chemistry","2002","41","","844","855","10.1021/ic010890z","","","1.5418","CuKα","","0.0675","0.0409","","0.0523","","0.0494","","","2.06","","","2.304","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317652","16.003","0.003","23.209","0.005","37.134","0.007","90","","90","","90","","13792","5","210","2","210","2","","","","","","","Crystals were grown by slow evaporation of a solution of the complex in acetonitrile","7","P b c a","-P 2ac 2ab","61","","","","- C49 H80 Cl3 Co2 N7 O17 S2 -","- C49 H74 Cl3 Co2 N7 O17 S2 -","- C392 H592 Cl24 Co16 N56 O136 S16 -","8","1","","Berthold Kersting; Gunther Steinfeld","Carboxylate and Alkyl Carbonate Coordination at the Hydrophobic Binding Site of Redox-Active Dicobalt Amine Thiophenolate Complexes","Inorganic Chemistry","2002","41","","1140","1150","10.1021/ic011004n","","","0.71073","MoKα","","0.4162","0.0913","","0.3322","0.2421","","","","0.721","1.568","1.568","","","","","has coordinates,has disorder","179256","2020-10-21","18:00:00",""
"4317698","20.798","0.004","27.858","0.005","11.272","0.003","90","","90","","90","","6531","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H22 Co2 O7 P2 Ru Se -","- C32 H22 Co2 O7 P2 Ru Se -","- C256 H176 Co16 O56 P16 Ru8 Se8 -","8","1","","Pierre Braunstein; Claudia Graiff; Chiara Massera; Giovanni Predieri; Jacky Rosé; Antonio Tiripicchio","Reactivity of the Heterometallic Clusters [HMCo3(CO)12] and [Et4N][MCo3(CO)12] (M = Fe, Ru) toward Phosphine Selenides, Including Selenium Transfer. Crystal Structures of [HRuCo3(CO)7(μ-CO)3(μ-dppy)], [MCo2(μ3-Se)(CO)7(μ-dppy)], and [RuCo2(μ3-Se)(CO)7(μ-dppm)] [dppy = Ph2(2-C5H4N)P, dppm = Ph2PCH2PPh2]","Inorganic Chemistry","2002","41","","1372","1382","10.1021/ic010824x","","","0.71073","MoKα","","0.1479","0.0397","","","0.0851","0.1168","","","","","","0.831","","","","has coordinates","179256","2020-10-21","18:00:00",""
"4317709","8.858","0.0007","17.1","0.0014","23.528","0.002","90","","90","","90","","3563.8","0.5","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cu(PEA)(H2O)Cl","","","- C18 H17 Cl Cu N4 O2 -","- C18 H17 Cl Cu N4 O2 -","- C144 H136 Cl8 Cu8 N32 O16 -","8","1","","John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak","Chiral Monomeric and Homochiral Dimeric Copper(II) Complexes of a New Chiral Ligand, N-(1,2-Bis(2-pyridyl)ethyl)pyridine-2-carboxamide: An Example of Molecular Self-Recognition","Inorganic Chemistry","2002","41","","1545","1549","10.1021/ic0109905","","","1.54184","CuKα","","0.0501","0.0416","","","0.1098","0.1157","","","","","","1.029","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317721","21.0595","0.0012","19.8083","0.0011","21.1137","0.0012","90","","90","","90","","8807.6","0.9","213","2","213","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C27 H55 B F6 Fe3 N6 P4 S4 V -","- C27 H55 B F6.02 Fe3 N6 P4 S4 V -","- C216 H440 B8 F48.16 Fe24 N48 P32 S32 V8 -","8","1","","Christina Hauser; Eckhard Bill; R. H. Holm","Single- and Double-Cubane Clusters in the Multiple Oxidation States [VFe3S4]3+,2+,1+","Inorganic Chemistry","2002","41","","1615","1624","10.1021/ic011011b","","","0.71073","MoKα","","0.1225","0.0637","","","0.1411","0.1681","","","","","","1.017","","","","has coordinates,has disorder","179257","2020-10-21","18:00:00",""
"4317769","11.659","0.002","13.119","0.003","16.869","0.003","90","","90","","90","","2580.2","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 N2 Ni O3 S2 -","- C8 H20 N2 Ni O3 S2 -","- C64 H160 N16 Ni8 O24 S16 -","8","1","","Vincent E. Kaasjager; Elisabeth Bouwman; S. Gorter; Jan Reedijk; Craig A. Grapperhaus; Joseph H. Reibenspies; Jason J. Smee; Marcetta Y. Darensbourg; Agnes Derecskei-Kovacs; Lisa M. Thomson","Unique Reactivity of a Tetradentate N2S2 Complex of Nickel: Intermediates in the Production of Sulfur Oxygenates","Inorganic Chemistry","2002","41","","1837","1844","10.1021/ic010784x","","","1.54178","CuKα","","0.0618","0.0421","","","0.1082","0.1169","","","","","","1.037","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317842","14.872","0.003","14.533","0.003","14.347","0.002","90","","90","","90","","3100.9","1","293.2","","293.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H46 Cl4 Co2 N8 O3 Pt S4 -","- C12 H40 Cl4 Co2 N8 O3 Pt0.5 S4 -","- C48 H160 Cl16 Co8 N32 O12 Pt2 S16 -","4","0.5","","Hirokazu Honda; Takashi Yoshimura; Masakazu Hirotsu; Tatsuya Kawamoto; Takumi Konno","Synthesis, Characterization, and Chiral Behavior of S-Bridged CoIIIPtIICoIII Trinuclear Complexes Composed of Bis(thiolato)-Type Octahedral Units cis(S)-[Co(aet)2(en)]+ and/or trans(N)-[Co(d-pen-N,O,S)2]- (aet = 2-Aminoethanethiolate, d-pen =d-Penicillaminate)","Inorganic Chemistry","2002","41","","2229","2237","10.1021/ic010696c","","","0.7107","MoKα","","","0.0591","","","0.0604","","","","","3.251","3.251","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317880","7.828","0.0011","19.877","0.003","25.46","0.004","90","","90","","90","","3961.5","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cu Mo2 N2 O13 P2 -","- C11 H10 Cu Mo2 N2 O13 P2 -","- C88 H80 Cu8 Mo16 N16 O104 P16 -","8","1","","Robert C. Finn; Randy S. Rarig; Jon Zubieta","Organic-Inorganic Hybrid Materials: Hydrothermal Syntheses and Structural Characterization of Bimetallic Organophosphonate Oxides of the Type Mo/Cu/O/RPO32-/Organoimine","Inorganic Chemistry","2002","41","","2109","2123","10.1021/ic011124v","","","0.71073","MoKα","","0.0947","0.0686","","","0.1396","0.164","","","","","","0.975","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4317941","10.3595","0.0004","18.0988","0.0012","33.845","0.002","90","","90","","90","","6345.8","0.6","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H27 B N4 O3 P Re S2 -","- C29 H27 B N4 O3 P Re S2 -","- C232 H216 B8 N32 O24 P8 Re8 S16 -","8","1","","Raquel Garcia; Ângela Domingos; António Paulo; Isabel Santos; Roger Alberto","Reactivity of [Re{κ3-H(μ-H)B(timMe)2}(CO)3] (timMe= 2-Mercapto-1-methylimidazolyl) toward Neutral Substrates","Inorganic Chemistry","2002","41","","2422","2428","10.1021/ic011171n","","","0.71073","MoKα","","0.1705","0.0591","","0.2627","0.102","","","","1.073","1.187","1.187","","","","","has coordinates","179259","2020-10-21","18:00:00",""
"4318120","23.2283","0.0009","34.683","0.002","46.9","0.002","90","","90","","90","","37784","3","160","2","160","2","","","","","","","synthetic","7","P b c a","-P 2ac 2ab","61","","","","- C174 H434 Cr14 I20 N90 Ni13 O70 -","- C174 H294 Cr14 I12.8 N90 Ni13 O36.98 -","- C696 H1176 Cr56 I51.2 N360 Ni52 O147.92 -","4","0.5","","Jennifer J. Sokol; Matthew P. Shores; Jeffrey R. Long","Giant Metal-Cyanide Coordination Clusters: Tetracapped Edge-Bridged Cubic Cr12Ni12(CN)48 and Double Face-Centered Cubic Cr14Ni13(CN)48 Species","Inorganic Chemistry","2002","41","","3052","3054","10.1021/ic0255499","","","0.71073","MoKα","","0.2308","0.1703","","0.4801","0.4228","","","","1.046","1.217","1.217","","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318129","12.713","0.006","15.103","0.007","18.253","0.008","90","","90","","90","","3505","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Cl N3 O3 Re -","- C17 H13 Cl N3 O3 Re -","- C136 H104 Cl8 N24 O24 Re8 -","8","1","","Kezhi Wang; Ling Huang; Lihua Gao; Linpei Jin; Chunhui Huang","Synthesis, Crystal Structure, and Photoelectric Properties of Re(CO)3ClL (L = 2-(1-Ethylbenzimidazol-2-yl)pyridine)","Inorganic Chemistry","2002","41","","3353","3358","10.1021/ic0107330","","","0.71073","MoKα","","0.1388","0.0555","","","0.1149","0.1452","","","","","","1.001","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318149","16.6859","0.0019","16.5534","0.0018","20.086","0.002","90","","90","","90","","5547.9","1","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H42 F12 N4 O2 P4 Tc -","- C50 H54 F12 N4 O2 P4 Tc -","- C200 H216 F48 N16 O8 P16 Tc4 -","4","0.5","","Evan Freiberg; William M. Davis; Alan Davison; Alun G. Jones","Synthesis and Characterization of Technetiumtetrakis(acetonitrile)bis(triphenylphosphine) Cationic Complexes","Inorganic Chemistry","2002","41","","3337","3339","10.1021/ic020017d","","","0.71073","MoKα","","0.0891","0.0497","","","0.1412","0.1566","","","","","","1.017","","","","has coordinates","189097","2020-10-21","18:00:00",""
"4318243","10.402","0.001","18.801","0.004","19.328","0.004","90","","90","","90","","3779.9","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-tetrachloro-(dimethylsulfoxide,O)-nitrosyl-ruthenium(III) (dimethylsulfoxide-dimethylsulfoxonium)","","- C6 H19 Cl4 N O4 Ru S3 -","- C6 H19 Cl4 N O4 Ru S3 -","- C48 H152 Cl32 N8 O32 Ru8 S24 -","8","1","","Barbara Serli; Ennio Zangrando; Elisabetta Iengo; Giovanni Mestroni; Lesley Yellowlees; Enzo Alessio","Synthesis and Structural, Spectroscopic, and Electrochemical Characterization of New Ruthenium Dimethyl Sulfoxide Nitrosyls","Inorganic Chemistry","2002","41","","4033","4043","10.1021/ic011291v","","","0.71073","MoKα","","0.1511","0.0448","","","0.0792","0.0968","","","","","","0.981","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318292","8.146","0.005","13.175","0.009","22.995","0.007","90","","90","","90","","2468","2","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Be O6 -","- C12 H10 Be O6 -","- C96 H80 Be8 O48 -","8","1","","Franco Cecconi; Carlo A. Ghilardi; Andrea Ienco; Palma Mariani; Carlo Mealli; Stefano Midollini; Annabella Orlandini; Alberto Vacca","Different Complexation Properties of Some Hydroxy Keto Heterocycles toward Beryllium(II) in Aqueous Solutions: Experimental and Theoretical Studies","Inorganic Chemistry","2002","41","","4006","4017","10.1021/ic025612u","","x-ray","0.71069","MoKα","","0.085","0.0536","","","0.1397","0.1594","","","","","","1.02","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318345","16.8653","0.0012","20.8607","0.0014","20.882","0.0014","90","","90","","90","","7346.7","0.9","213","2","213","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","","","","- C64 H92 Mo4 N2 O16 P4 -","- C63.78 H50 Mo4 N2 O16 P4 -","- C255.12 H200 Mo16 N8 O64 P16 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Chun Y. Liu; Carlos A. Murillo; Arthur J. Schultz; Xiaoping Wang","How to Make a Major Shift in a Redox Potential: Ligand Control of the Oxidation State of Dimolybdenum Units","Inorganic Chemistry","2002","41","","4232","4238","10.1021/ic025632w","","","0.71073","MoKα","","0.0623","0.0488","","0.1304","0.1125","","","","1.267","1.229","1.229","","","","","has coordinates,has disorder","179263","2020-10-21","18:00:00",""
"4318439","11.184","0.002","13.531","0.004","18.696","0.003","90","","90","","90","","2829.3","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H18 As F6 N3 O S -","- C6 H18 As F6 N3 O S -","- C48 H144 As8 F48 N24 O8 S8 -","8","1","","Jens Wessel; Ulrich Behrens; Enno Lork; Tobias Borrmann; Wolf-Dieter Stohrer; Rüdiger Mews","Tris(dimethylamino)oxosulfonium Difluorotrimethylsilicate, (Me2N)3SO+Me3SiF2- (TAOS Fluoride)","Inorganic Chemistry","2002","41","","4715","4721","10.1021/ic0201755","","","0.71073","MoKα","","0.0753","0.0414","","0.0884","0.0822","","","","0.818","1.016","1.016","","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318450","11.0151","0.0001","14.1424","0.0001","14.2508","0.0002","90","","90","","90","","2219.99","0.04","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H30 Cl4 Ga2 P2 -","- C12 H30 Cl4 Ga2 P2 -","- C48 H120 Cl16 Ga8 P8 -","4","0.5","","Stefan Nogai; Hubert Schmidbaur","Dichlorogallane (HGaCl2)2: Its Molecular Structure and Synthetic Potential","Inorganic Chemistry","2002","41","","4770","4774","10.1021/ic0203015","","","0.71073","MoKα","","0.035","0.0327","","","0.0827","0.0846","","","","","","1.082","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318497","22.771","0.005","9.565","0.002","26.204","0.005","90","","90","","90","","5707","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 N O5 Ta -","- C29 H36 N O5 Ta -","- C232 H288 N8 O40 Ta8 -","8","1","","Youngjo Kim; Pramesh N. Kapoor; John G. Verkade","(RO)2Ta[tris(2-oxy-3,5-dimethylbenzyl)amine]: Structure and Lactide Polymerization Activities","Inorganic Chemistry","2002","41","","4834","4838","10.1021/ic0257571","","","0.71073","MoKα","","0.0737","0.0457","","","0.1092","0.1192","","","","","","1.02","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318560","19.8192","0.0002","17.148","0.0002","29.6791","0.0002","90","","90","","90","","10086.7","0.17","200","2","200","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C43 H40 Cl2 F6 N2 O11 P2 Pd S2 -","- C43 H40 Cl2 F6 N2 O11 P2 Pd S2 -","- C344 H320 Cl16 F48 N16 O88 P16 Pd8 S16 -","8","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt; Kenneth W. Muir","Self-Assembly of Polymer and Sheet Structures in Palladium(II) Complexes Containing Carboxylic Acid Substituents","Inorganic Chemistry","2002","41","","5174","5186","10.1021/ic020239b","","","0.71073","MoKα","","0.0862","0.0555","","","0.157","0.1794","","","","","","1.054","","","","has coordinates,has disorder","179265","2020-10-21","18:00:00",""
"4318571","8.2346","0.0007","9.6007","0.0008","35.983","0.003","90","","90","","90","","2844.7","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H22 B F4 N3 O -","- C9 H22 B F4 N3 O -","- C72 H176 B8 F32 N24 O8 -","8","1","","Rajeev Gupta; Zhi Hui Zhang; Douglas Powell; Michael P. Hendrich; A. S. Borovik","Synthesis and Characterization of Completely Delocalized Mixed-Valent Dicopper Complexes","Inorganic Chemistry","2002","41","","5100","5106","10.1021/ic0202918","","","0.71073","MoKα","","0.0706","0.0464","","","0.1029","0.1138","","","","","","1.025","","","","has coordinates,has disorder","179265","2020-10-21","18:00:00",""
"4318593","10.7106","0.0004","6.8922","0.0003","17.0335","0.0005","90","","90","","90","","1257.41","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cd3 N0 O10 -","- C8 H10 Cd3 O10 -","- C32 H40 Cd12 O40 -","4","0.5","","R. Vaidhyanathan; Srinivasan Natarajan; C. N. R. Rao","Open-Framework Cadmium Succinates of Different Dimensionalities","Inorganic Chemistry","2002","41","","5226","5234","10.1021/ic020333s","","","0.71073","MoKα","","0.0265","0.0207","","0.0522","0.0501","","","","1.026","1.086","1.086","","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318596","18.791","0.003","22.28","0.003","19.158","0.004","90","","90","","90","","8021","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 4","","","- C74 H126 B2 N14 O2 Pd2 -","- C74 H126 B2 N14 O2 Pd2 -","- C296 H504 B8 N56 O8 Pd8 -","4","0.5","","Taichi Miyaji; Masato Kujime; Shiro Hikichi; Yoshihiko Moro-oka; Munetaka Akita","Synthesis and Characterization of a Series of (Hydroperoxo)-, (Alkylperoxo)-, and (μ-Peroxo)palladium Complexes Containing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2): (TpiPr2)(py)Pd-OO-X [X = H, t-Bu, Pd(TpiPr2)(py)] and (TpiPr2)(py)Pd-(μ-κ1:κ2-OO)-PdTpiPr2","Inorganic Chemistry","2002","41","","5286","5295","10.1021/ic020355e","","","0.7107","MoKα","","0.058","0.0542","","","0.1525","0.1563","","","","","","1.295","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318660","18.516","0.001","16.157","0.001","25.45","0.001","90","","90","","90","","7613.7","0.7","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 Fe N4 -","- C18 H18 Cl2 Fe N4 -","- C288 H288 Cl32 Fe16 N64 -","16","2","","Dominique Mandon; Ahmed Machkour; Sandrine Goetz; Richard Welter","Trigonal Bipyramidal Geometry and Tridentate Coordination Mode of the Tripod in FeCl2 Complexes with Tris(2-pyridylmethyl)amine Derivatives Bis-α-Substituted with Bulky Groups. Structures and Spectroscopic Comparative Studies","Inorganic Chemistry","2002","41","","5364","5372","10.1021/ic011104t","","","0.71073","Mo-Kα","","0.131","0.041","","0.806","","0.058","","","","","","1.183","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4318676","14.9001","0.0005","19.9581","0.0008","22.507","0.002","90","","90","","90","","6693.1","0.7","198.2","","198.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H50 I2 N O2 P4 Si Ta -","- C20 H42 I2 N O2 P4 Si Ta -","- C160 H336 I16 N8 O16 P32 Si8 Ta8 -","8","1","","Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Differing Reactivities of (trimpsi)M(CO)2(NO) Complexes [M = V, Nb, Ta; trimpsi =tBuSi(CH2PMe2)3] with Halogens and Halogen Sources","Inorganic Chemistry","2002","41","","5388","5396","10.1021/ic020340g","","","0.7107","MoKα","","0.0645","0.029","","0.0855","","0.0855","","","0.747","","","0.747","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318726","20.7769","0.0009","16.4918","0.0007","23.157","0.0009","90","","90","","90","","7934.7","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H20 F18 Gd N4 O8 -","- C25.7778 H17.7778 F16 Gd0.888889 N3.55556 O7.11111 -","- C232 H160 F144 Gd8 N32 O64 -","9","1.125","","Christophe Lescop; Dominique Luneau; Paul Rey; Guillaume Bussière; Christian Reber","Synthesis, Structures, and Magnetic and Optical Properties of a Series of Europium(III) and Gadolinium(III) Complexes with Chelating Nitronyl and Imino Nitroxide Free Radicals","Inorganic Chemistry","2002","41","","5566","5574","10.1021/ic0257928","","","0.71073","MoKα","","0.086","0.0314","","","0.0807","0.1081","","","","","","0.605","","","","has coordinates,has disorder","179267","2020-10-21","18:00:00",""
"4318727","20.8076","0.0008","16.8121","0.0007","23.3231","0.0009","90","","90","","90","","8158.9","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H20 Eu F18 N4 O8 -","- C29 H20 Eu F18 N4 O8 -","- C232 H160 Eu8 F144 N32 O64 -","8","1","","Christophe Lescop; Dominique Luneau; Paul Rey; Guillaume Bussière; Christian Reber","Synthesis, Structures, and Magnetic and Optical Properties of a Series of Europium(III) and Gadolinium(III) Complexes with Chelating Nitronyl and Imino Nitroxide Free Radicals","Inorganic Chemistry","2002","41","","5566","5574","10.1021/ic0257928","","","0.71073","MoKα","","0.1258","0.0407","","","0.0934","0.1101","","","","","","0.817","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318760","17.5848","0.0007","16.94","0.002","18.183","0.004","90","","90","","90","","5416.5","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cs9Nb2As6","","","- As6 Cs9 Nb2 -","- As6 Cs9 Nb2 -","- As48 Cs72 Nb16 -","8","1","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of K38Nb7As24 and Cs9Nb2As6: The First Mixed-Valence Transition-Metal Zintl Phases","Inorganic Chemistry","2002","41","","5920","5924","10.1021/ic020250b","","","0.71073","MoKα","","0.1066","0.0563","","","0.1155","0.1343","","","","","","1.024","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318789","9.8674","0.0011","10.0973","0.0011","8.7046","0.001","90","","90","","90","","867.27","0.17","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Iron phosphate dihydrate","","- Fe H4 O6 P -","- Fe H4 O6 P -","- Fe8 H32 O48 P8 -","8","1","","Yanning Song; Peter Y. Zavalij; Masatsugu Suzuki; M. Stanley Whittingham","New Iron(III) Phosphate Phases: Crystal Structure and Electrochemical and Magnetic Properties","Inorganic Chemistry","2002","41","","5778","5786","10.1021/ic025688q","","","0.71073","MoKα","","0.0267","0.0252","","","0.0683","0.0692","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318790","8.6753","0.0011","9.1708","0.0012","9.4564","0.0012","90","","90","","90","","752.35","0.17","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Iron Phosphate","","- Fe O4 P -","- Fe O4 P -","- Fe8 O32 P8 -","8","1","","Yanning Song; Peter Y. Zavalij; Masatsugu Suzuki; M. Stanley Whittingham","New Iron(III) Phosphate Phases: Crystal Structure and Electrochemical and Magnetic Properties","Inorganic Chemistry","2002","41","","5778","5786","10.1021/ic025688q","","","0.71073","MoKα","","0.0813","0.0783","","","0.1866","0.1884","","","","","","1.001","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318845","14.515","0.003","17.855","0.005","31.249","0.007","90","","90","","90","","8099","3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,17-(CHO)2-nBu4Clx, 6","","","- C46 H56 O6 -","- C46 H56 O6 -","- C368 H448 O48 -","8","1","","Daniel R. Evans; Mingsheng Huang; James C. Fettinger; Tracie L. Williams","Synthesis and Characterization of Diametrically Substituted Tetra-O-n-butylcalix[4]arene Ligands and Their Chelated Complexes of Titanium, Molybdenum, and Palladium","Inorganic Chemistry","2002","41","","5986","6000","10.1021/ic020446b","","","0.71073","MoKα","","0.0898","0.047","","","0.1236","0.1568","","","","","","1.022","","","","has coordinates,has disorder","179268","2020-10-21","18:00:00",""
"4318879","18.912","0.004","18.447","0.004","30.856","0.006","90","","90","","90","","10765","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C5.08 H8.63 F1.52 K0.25 N0.51 O1.27 P0.25 -","- C5.07937 H8.63492 F1.52381 K0.253968 N0.507937 O1.26984 P0.253968 -","- C320 H544 F96 K16 N32 O80 P16 -","63","7.875","","John W. Sibert; Philip B. Forshee","""ortho-Wurster's Crowns"": Synthesis and Properties of a Novel Phenylenediamine-Based Redox-Active Macrocyclic Ligand","Inorganic Chemistry","2002","41","","5928","5930","10.1021/ic0259235","","","0.71073","MoKα","","0.0981","0.0633","","0.22","0.1947","","","","1.042","1.212","1.212","","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318887","16.5822","0.0009","15.5668","0.0009","29.9017","0.0018","90","","90","","90","","7718.6","0.8","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H40 O6 Sm -","- C39 H57 O6 Sm -","- C312 H456 O48 Sm8 -","8","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott; John G. Watkin; Kenneth J. Young","Salt-Free Synthesis of Samarium-Aluminum Mixed-Metal Alkoxides: X-ray Crystal Structures of {[(i-Pr-O)(i-Bu)Al(μ-O-i-Pr)2Sm(O-i-Pr)(HO-i-Pr)](μ-O-i-Pr)}2, [(THF)2Sm(O-t-Bu)2(μ-O-t-Bu)2Al(i-Bu)2], Sm(OAr)3(THF)3 (Ar = 2,4,6-Me3C6H2), [Nd(μ-OAr)(OAr)2(py)2]2 (Ar = 2,4,6-Me3C6H2), and (ArO)3Sm[(μ-O-t-Bu)2Al2(O-t-Bu)4] (Ar = 2,6-i-Pr2C6H3)","Inorganic Chemistry","2002","41","","6372","6379","10.1021/ic0203116","","","0.71073","MoKα","","0.0712","0.0442","","","0.0885","0.0946","","","","","","1.299","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319022","7.0056","0.0003","12.6282","0.0006","21.3318","0.001","90","","90","","90","","1887.18","0.15","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H5 Cd1.5 Cl N5 O -","- C6 H5 Cd1.5 Cl N5 O -","- C48 H40 Cd12 Cl8 N40 O8 -","8","1","","Xiang Xue; Xi-Sen Wang; Li-Zhong Wang; Ren-Gen Xiong; Brendan F. Abrahams; Xiao-Zeng You; Zi-Ling Xue; Chi-Ming Che","Hydrothermal Preparation of Novel Cd(II) Coordination Polymers Employing 5-(4-Pyridyl)tetrazolate as a Bridging Ligand","Inorganic Chemistry","2002","41","","6544","6546","10.1021/ic0257118","","","0.71073","MoKα","","0.0245","0.0231","","","0.0827","0.0849","","","","","","0.762","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319026","18.678","0.002","17.604","0.002","17.072","0.003","90","","90","","90","","5613.4","1.3","150","","423.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 B2 F8 Fe4 -","- C28 H32 B2 F8 Fe4 -","- C224 H256 B16 F64 Fe32 -","8","1","","Masaaki Okazaki; Takeo Ohtani; Masato Takano; Hiroshi Ogino","Synthesis and Structures of One- and Two-Electron Oxidized Forms of Bis(acetylene)tetrairon Clusters Cp'4Fe4(HCCH)2 (Cp' = Cp,η5-C5H4Me)","Inorganic Chemistry","2002","41","","6726","6730","10.1021/ic025763x","","","0.7107","MoKα","","0.0553","0.0553","","","0.0582","0.0582","","","","","","2.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319197","20.3619","0.0004","14.0345","0.0003","24.1575","0.0005","90","","90","","90","","6903.5","0.2","173","2","173","2","","","","","","","Prof. D. Krogstad - University of the South","7","P b c a","-P 2ac 2ab","61","98324a","","","- C25 H54 Cl Ir N12 O4 P4 -","- C25 H54 Cl Ir N12 O4 P4 -","- C200 H432 Cl8 Ir8 N96 O32 P32 -","8","1","","Don A. Krogstad; Jason A. Halfen; Tracy J. Terry; Victor G. Young","Synthesis and Characterization of Iridium 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes. X-ray Crystal and Molecular Structures of [Ir(PTA)4(CO)]Cl and [Ir(PTAH)3(PTAH2)(H)2]Cl6","Inorganic Chemistry","2001","40","","463","471","10.1021/ic000501l","","","0.71073","MoKα","","0.0372","0.0246","","0.0605","0.0574","","","","1.02","1.103","1.103","","","","","has coordinates","179271","2020-10-21","18:00:00",""
"4319211","12.1384","0.0004","18.494","0.001","18.543","0.0009","90","","90","","90","","4162.7","0.3","295","2","295","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","","","- C44 H36 Mo2 N16 -","- C44 H28 Mo2 N16 -","- C176 H112 Mo8 N64 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Dinuclear and Heteropolynuclear Complexes Containing Mo24+ Units","Inorganic Chemistry","2001","40","","420","426","10.1021/ic001002n","","","0.71073","MoKα","","0.0463","0.0404","","0.1106","0.0992","","","","1.091","1.067","1.067","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00",""
"4319268","12.09","0.002","17.785","0.003","36.379","0.013","90","","90","","90","","7822","3","293","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H35 Al F15 N Si Ti -","- C38 H35 Al F15 N Si Ti -","- C304 H280 Al8 F120 N8 Si8 Ti8 -","8","1","","Gregory S. Hair; Richard A. Jones; Alan H. Cowley; Vincent Lynch","Group 4 Zwitterionic Metallocenes Based upon the Bridged Amido-Cyclopentadienyl Ligand and Coordinated Dienes","Inorganic Chemistry","2001","40","","1014","1019","10.1021/ic000293x","","","0.71073","MoKα","","0.1252","0.0708","","0.1818","0.1511","","","","1.117","1.234","1.234","","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319300","9.661","0.002","26.224","0.003","37.863","0.003","90","","90","","90","","9593","2","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 Er4 O30 -","- C48 H36 Er4 O30 -","- C384 H288 Er32 O240 -","8","1","","Long Pan; Nengwu Zheng; Yonggang Wu; Song Han; Ruyi Yang; Xiaoying Huang; Jing Li","Synthesis, Characterization and Structural Transformation of A Condensed Rare Earth Metal Coordination Polymer","Inorganic Chemistry","2001","40","","828","830","10.1021/ic0007254","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.38","1.38","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4319308","16.6105","0.0002","32.4635","0.0006","17.2057","0.0003","90","","90","","90","","9277.9","0.3","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","[{(mes)2BOAlMe2}2].(hexane)","","","- C46 H70 Al2 B2 O2 -","- C46 H70 Al2 B2 O2 -","- C368 H560 Al16 B16 O16 -","8","1","","Vernon C. Gibson; Sergio Mastroianni; Andrew J. P. White; David J. Williams","Formation and Unexpected Catalytic Reactivity of Organoaluminum Boryloxides","Inorganic Chemistry","2001","40","","826","827","10.1021/ic000895g","","x-ray","0.71073","MoKα","","0.0846","0.06","","","0.157","0.1727","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4319445","17.132","0.002","16.258","0.002","17.542","0.002","90","","90","","90","","4886","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H30 B N7 O S3 W -","- C17 H30 B N7 S3 W -","- C136 H240 B8 N56 S24 W8 -","8","1","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.0431","0.0431","","","0.05","0.05","","","","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319448","17.271","0.004","18.961","0.002","20.337","0.005","90","","90","","90","","6660","2","296.2","","296.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C23 H42 B Cl2 N7 Pt S3 W -","- C23 H42 B Cl2 N7 Pt S3 W -","- C184 H336 B8 Cl16 N56 Pt8 S24 W8 -","8","1","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.043","0.043","","","0.0425","0.0425","","","","","","1.451","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319543","19.259","0.0005","16.9889","0.0005","22.5659","0.0006","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H36 O2 P2 Pd S2 -","- C42 H36 O2 P2 Pd S2 -","- C336 H288 O16 P16 Pd8 S16 -","8","1","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.0489","0.0305","","","0.0591","0.0659","","","","","","1.068","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319544","19.29","0.003","16.927","0.003","22.475","0.003","90","","90","","90","","7339","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H36 O2 P2 Pt S2 -","- C42 H36 O2 P2 Pt S2 -","- C336 H288 O16 P16 Pt8 S16 -","8","1","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.0768","0.0307","","","0.053","0.0592","","","","","","0.786","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319545","11.9402","0.0011","18.9221","0.0012","25.58","0.002","90","","90","","90","","5779.4","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H36 N2 O4 Pd S4 -","- C20 H36 N2 O4 Pd S4 -","- C160 H288 N16 O32 Pd8 S32 -","8","1","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.1253","0.0515","","0.1731","0.1313","","","","0.969","1.133","1.133","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00",""
"4319568","12.8938","0.0002","10.2999","0.0002","20.9684","0.0001","90","","90","","90","","2784.71","0.07","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","spiro-[(CF2CH2O)2PHN][F2PN]3","","","- C4 H4 F10 N4 O2 P4 -","- C4 H4 F10 N4 O2 P4 -","- C32 H32 F80 N32 O16 P32 -","8","1","","Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve","Syntheses and Experimental Studies on the Relative Stabilities of Spiro, Ansa, and Bridged Derivatives of Cyclic Tetrameric Fluorophosphazene","Inorganic Chemistry","2001","40","","2120","2126","10.1021/ic001294s","","","0.71073","MoKα","","0.0758","0.0613","","","0.1125","0.1185","","","","","","1.204","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4319584","14.657","0.002","11.234","0.002","28.677","0.005","90","","90","","90","","4721.9","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl2 N6 O10 Zn2 -","- C12 H32 Cl2 N6 O10 Zn2 -","- C96 H256 Cl16 N48 O80 Zn16 -","8","1","","Jiang Xia; Yan Xu; Shu-an Li; Wei-yin Sun; Kai-bei Yu; Wen-xia Tang","Carboxy Ester Hydrolysis Promoted by a Zinc(II) 2-[Bis(2-aminoethyl)amino]ethanol Complex: A New Model for Indirect Activation on the Serine Nucleophile by Zinc(II) in Zinc Enzymes","Inorganic Chemistry","2001","40","","2394","2401","10.1021/ic000642n","","","0.71073","MoKα","","0.0654","0.038","","","0.0916","0.099","","","","","","0.907","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319623","9.1085","0.0007","11.418","0.001","15.092","0.003","90","","90","","90","","1569.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Mo5.3 O10 Sr Ti0.7 -","- Mo5.299 O10 Sr Ti0.701 -","- Mo42.392 O80 Sr8 Ti5.608 -","8","1","","J. Tortelier; P. Gougeon; R. Gautier; R. Berjoan","MTi0.7Mo0.3Mo5O10 (M = Sr, Eu), First Evidence of Mono- and Bicapped Bioctahedral Mo11and Mo12 Clusters: Synthesis, Crystal Structures, and Physical Properties","Inorganic Chemistry","2001","40","","2292","2297","10.1021/ic001209g","","","0.71073","MoKα","","0.0919","0.0357","","","0.0682","0.0771","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319624","9.1069","0.0007","11.421","0.002","15.075","0.001","90","","90","","90","","1567.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Eu Mo5.3 O10 Ti0.7 -","- Eu Mo5.302 O10 Ti0.698 -","- Eu8 Mo42.416 O80 Ti5.584 -","8","1","","J. Tortelier; P. Gougeon; R. Gautier; R. Berjoan","MTi0.7Mo0.3Mo5O10 (M = Sr, Eu), First Evidence of Mono- and Bicapped Bioctahedral Mo11and Mo12 Clusters: Synthesis, Crystal Structures, and Physical Properties","Inorganic Chemistry","2001","40","","2292","2297","10.1021/ic001209g","","","0.71073","MoKα","","0.0466","0.0347","","","0.0843","0.0868","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319640","10.0468","0.0006","18.8091","0.001","41.7615","0.0023","90","","90","","90","","7891.7","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H32 Cl F4 N9 O Ru2 -","- C44 H32 Cl F4 N9 O Ru2 -","- C352 H256 Cl8 F32 N72 O8 Ru16 -","8","1","","John L. Bear; Julien Wellhoff; Guy Royal; Eric Van Caemelbecke; Sonia Eapen; Karl M. Kadish","Syntheses, Structural Determination, and Electrochemistry of Ru2(Fap)4Cl and Ru2(Fap)4(NO)Cl","Inorganic Chemistry","2001","40","","2282","2286","10.1021/ic001315i","","","0.71073","MoKα","","0.0792","0.0456","","","0.1055","0.132","","","","","","1.231","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319691","9.6112","0.0019","16.524","0.003","22.098","0.004","90","","90","","90","","3509.5","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H28 F N O2 Si -","- C17 H28 F N O2 Si -","- C136 H224 F8 N8 O16 Si8 -","8","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0653","0.0578","","","0.1069","0.1107","","","","","","1.117","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319694","10.967","0.002","10.812","0.007","22.5856","0.0019","90","","90","","90","","2678.1","1.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H17 F N2 O2 Si -","- C11 H17 F N2 O2 Si -","- C88 H136 F8 N16 O16 Si8 -","8","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0458","0.0316","","0.0846","0.0783","","","","1.019","1.056","1.056","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319732","5.1469","0.0015","13.343","0.002","14.2031","0.0017","90","","90","","90","","975.4","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 S4 -","- C4 Cl2 N4 S4 -","- C16 Cl8 N16 S16 -","4","0.5","","Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor","5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry","Inorganic Chemistry","2001","40","","2709","2714","10.1021/ic0010095","","","0.7107","MolybdenumKα","","0.023","","","0.047","","","","","0.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319742","15.159","0.0003","13.235","0.002","18.0195","0.0006","90","","90","","90","","3615.2","0.6","180.2","","180.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl N4 Ni O7 -","- C14 H24 Cl N4 Ni O7 -","- C112 H192 Cl8 N32 Ni8 O56 -","8","1","","M. Rodopoulos; T. Rodopoulos; J. N. Bridson; L. I. Elding; S. J. Rettig; A. McAuley","Synthesis of 14-oxa-1,4,8,11-tetraazabicyclo[9.5.3]nonadecane (L1) and a Spectroscopic and Structural Study of [Ni(L1)(ClO4)](ClO4) and of the Macrobicyclic Precursor Diamide Complex, [Ni(HL2)](ClO4); Chloride Substitution Kinetics of the Corresponding [Ni(III)(L1)]3+ Species","Inorganic Chemistry","2001","40","","2737","2742","10.1021/ic001163r","","","0.7107","MoKα","","0.1068","0.045","","0.0826","","0.038","","","1.136","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4319757","25.7964","0.0013","16.4755","0.0008","30.677","0.0015","90","","90","","90","","13038","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H69 N8 O8 Ru2 Si -","- C67 H54 N8 O8 Ru2 Si -","- C536 H432 N64 O64 Ru16 Si8 -","8","1","","Guolin Xu; Tong Ren","Axial Butadiynyl Adducts on a Tetrakis- (di(m-methoxyphenyl)formamidinato)diruthenium Core: First Examples of M-M Bonded Complexes Containing σ-Poly-ynyl Ligand","Inorganic Chemistry","2001","40","","2925","2927","10.1021/ic0012930","","","0.71073","MoKα","","0.0733","0.0385","","","0.0892","0.1197","","","","","","1.183","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00",""
"4319791","16.2789","0.0004","10.5658","0.0003","18.8712","0.0005","90","","90","","90","","3245.84","0.15","96","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cu N3 O6 V2 -","- C15 H11 Cu N3 O6 V2 -","- C120 H88 Cu8 N24 O48 V16 -","8","1","","Pamela J. Hagrman; Jon Zubieta","Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","2800","2809","10.1021/ic010024m","","","0.71073","MoKα","","0.0933","0.0513","","","0.0801","0.0906","","","","","","1.072","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319798","12.8446","0.0013","15.318","0.002","24.132","0.002","90","","90","","90","","4748.1","0.9","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cr N3 O4 -","- C22 H30 Cr N3 O4 -","- C176 H240 Cr8 N24 O32 -","8","1","","Mikhail V. Barybin; Paula L. Diaconescu; Christopher C. Cummins","Coordination Chemistry of a Chelating Amidoximato Ligand","Inorganic Chemistry","2001","40","","2892","2897","10.1021/ic0100370","","","0.71073","MoKα","","0.1037","0.0718","","0.1699","0.1537","","","","1.139","1.23","1.23","","","","","has coordinates","179277","2020-10-21","18:00:00",""
"4319853","12.847","0.003","15.677","0.003","22.024","0.004","90","","90","","90","","4435.7","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H32 As Co F6 N4 O3 -","- C16 H32 As Co F6 N4 O3 -","- C128 H256 As8 Co8 F48 N32 O24 -","8","1","","Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion","Inorganic Chemistry","2001","40","","3124","3129","10.1021/ic001208o","","","0.71073","MoKα","","0.2514","0.0814","","0.1827","0.1203","","","","1.056","1.163","1.163","","","","","has coordinates","179278","2020-10-21","18:00:00",""
"4319863","20.091","0.005","13.527","0.003","9.976","0.002","90","","90","","90","","2711.2","1.1","213","","213","","","","","","","","see paper","5","P b c a","-P 2ac 2ab","61","gama-1 phase","Di-mu-chlorotetrakis(1-methylboratabenzene)diyttrium","","- C24 H32 B4 Cl2 Y2 -","- C24 H32 B4 Cl2 Y2 -","- C96 H128 B16 Cl8 Y8 -","4","0.5","","Xiaolai Zheng; Bing Wang; Ulli Englert; Gerhard E. Herberich","Three Conformational Polymorphs of Di-μ-chlorotetrakis(1-methylboratabenzene)diyttrium: Synthesis, X-ray Structures, Quantum Chemical Calculations, and Lattice Energy Minimizations1","Inorganic Chemistry","2001","40","","3117","3123","10.1021/ic0014641","","","0.71073","Mo-Kα","","0.1662","0.0494","","","0.0557","0.0668","","","","","","0.706","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319929","12.193","0.007","11.044","0.003","33.57","0.017","90","","90","","90","","4521","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Ag N4 O5 -","- C20 H29 Ag N4 O5 -","- C160 H232 Ag8 N32 O40 -","8","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.1245","0.0579","","","0.1234","0.149","","","","","","0.968","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4319950","8.5721","0.0007","7.8336","0.0006","15.2277","0.001","90","","90","","90","","1022.55","0.13","120","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cl N2 S Se2 -","- Cl N2 S Se2 -","- Cl8 N16 S8 Se16 -","8","1","","Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén","Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2","Inorganic Chemistry","2001","40","","3539","3543","10.1021/ic010141h","","","0.71073","MoKα","","0.0348","0.0287","","","0.0531","0.0547","","","","","","1.269","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4319986","12.2478","0.0002","9.0636","0.0002","41.9264","0.0002","90","","90","","90","","4654.21","0.13","155","2","155","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Co(SC6F5)(TC-3,3)]","","","- C26 H22 Co F5 N4 S -","- C26 H22 Co F5 N4 S -","- C208 H176 Co8 F40 N32 S8 -","8","1","","Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard","Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds","Inorganic Chemistry","2001","40","","3774","3780","10.1021/ic010181l","","","0.71073","MoKα","","0.103","0.0637","","","0.11","0.1249","","","","","","1.135","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320030","14.9","0.02","16.834","0.009","24.025","0.013","90","","90","","90","","6026","9","150","2","150","2","","","","","","","[V(N-2,6-C6H3Pri2)Cl3(thf)] + MeC(2-C5H4N)(CH2NHSiMe2Bu-t)2 + NEt3","6","P b c a","-P 2ac 2ab","61","","[V(N-2,6-C6H3Pri2){MeC(2-C5H4N)(CH2NH2)(CH2NHSiMe2Bu-t)}Cl2]","","- C27 H46 Cl2 N4 Si V -","- C27 H46 Cl2 N4 Si V -","- C216 H368 Cl16 N32 Si8 V8 -","8","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","MoKα","","0.151","0.099","","0.161","0.125","","","","0.944","","","","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4320031","15.586","0.004","16.593","0.004","22.303","0.007","90","","90","","90","","5768","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Nb(NBu-t){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)]","","- C24 H43 Cl N5 Nb Si2 -","- C24 H43 Cl N5 Nb Si2 -","- C192 H344 Cl8 N40 Nb8 Si16 -","8","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","Mo-Kα","","","0.0605","","","0.0654","","","","","1.2459","1.2459","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4320032","15.56","0.005","16.571","0.004","22.319","0.006","90","","90","","90","","5755","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H43 Cl N5 Si2 Ta -","- C24 H43 Cl N5 Si2 Ta -","- C192 H344 Cl8 N40 Si16 Ta8 -","8","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","MoKα","","0.0734","0.0526","","","0.1215","0.1446","","","","","","1.19","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4320064","19.908","0.005","10.311","0.004","14.735","0.005","90","","90","","90","","3024.7","1.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pd -","- C18 H24 Pd -","- C144 H192 Pd8 -","8","1","","J. Cámpora; J. A. López; P. Palma; D. del Rio; E. Carmona; P. Valerga; C. Graiff; A. Tiripicchio","Synthesis and Insertion Reactions of the Cyclometalated Palladium-Alkyl Complexes Pd(CH2CMe2-o-C6H4)L2. Observation of a Pentacoordinated Intermediate in the Insertion of SO2","Inorganic Chemistry","2001","40","","4116","4126","10.1021/ic010114r","","","0.71073","MoKα","","0.0613","0.0423","","","0.1214","0.1303","","","","","","1.01","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320106","20.294","0.003","19.784","0.002","24.974","0.003","90","","90","","90","","10027","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61 H49 Cu N O3 P3 S -","- C61 H49 Cu N O3 P3 S -","- C488 H392 Cu8 N8 O24 P24 S8 -","8","1","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","","0.71073","MoKα","","0.4021","0.104","","","0.1311","0.1984","","","","","","0.961","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320205","5.1469","0.0015","13.343","0.002","14.2031","0.0017","90","","90","","90","","975.4","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BSe","Benzo[2,1-c:3,4-c ]bis(1,2,3-thiaselenazole)","","- C4 Cl2 N4 S4 -","- C4 Cl2 N4 S4 -","- C16 Cl8 N16 S16 -","4","0.5","","Leanne Beer; James F. Britten; A. Wallace Cordes; Owen P. Clements; Richard T. Oakley; Maren Pink; Robert W. Reed","Benzo[2,1-c:3,4-c']bis(1,2,3-thiaselenazole) (BSe) and Its Charge Transfer Chemistry. Crystal and Electronic Structure of [BSe]3[ClO4]2","Inorganic Chemistry","2001","40","","4705","4709","10.1021/ic010357j","","","0.7107","MolybdenumKα","","0.023","","","0.047","","","","","0.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320215","13.2822","0.0005","20.1469","0.0007","23.9424","0.0009","90","","90","","90","","6406.9","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H42 N S6 W -","- C28 H42 N S6 W -","- C224 H336 N8 S48 W8 -","8","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.104","0.0453","","","0.0912","0.1102","","","","","","1.001","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320216","13.3253","0.0019","20.196","0.003","24.352","0.004","90","","90","","90","","6553.6","1.7","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H42 N S4 Se2 W -","- C28 H42 N S4 Se2 W -","- C224 H336 N8 S32 Se16 W8 -","8","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.08","0.0459","","","0.0916","0.1062","","","","","","1.044","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320276","24.532","","15.8886","","25.3159","","90","","90","","90","","9867.61","","153.2","","153.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H118 Cl12 N2 O18 S6 W6 -","- C76 H118 Cl12 N2 O18 S6 W6 -","- C304 H472 Cl48 N8 O72 S24 W24 -","4","0.5","","Charles S. Weinert; Nicholas Prokopuk; Stephanie M. Arendt; Charlotte L. Stern; Duward F. Shriver","Preparation and Substitution Chemistry of [Bu4N]2[W6Cl8(p-OSO2C6H4CH3)6]. A Useful Precursor for Pseudohalide, Acetate, and Organometallic Complexes Containing the {W6Cl8}4+ Core","Inorganic Chemistry","2001","40","","5162","5168","10.1021/ic001480y","","","0.7107","MoKα","","0.0362","","","0.056","","","","","1.227","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320283","11.3495","0.0005","8.4819","0.0004","28.2513","0.0019","90","","90","","90","","2719.6","0.3","200","3","200","3","","","","","","","provided by O. Ruscitti","5","P b c a","-P 2ac 2ab","61","TeBr","","","- C12 H6 Br2 F4 Te -","- C12 H6 Br2 F4 Te -","- C96 H48 Br16 F32 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.032","0.0211","","","0.0452","0.047","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320286","11.163","0.0006","8.2","0.0004","27.9865","0.0013","90","","90","","90","","2561.8","0.2","200","3","200","3","","","","","","","provided by O. Ruscitti","5","P b c a","-P 2ac 2ab","61","TeCl","","","- C12 H6 Cl2 F4 Te -","- C12 H6 Cl2 F4 Te -","- C96 H48 Cl16 F32 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0495","0.0401","","","0.0983","0.1029","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320431","15.813","0.004","17.804","0.005","40.935","0.006","90","","90","","90","","11525","5","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","Heptachloro-trimethylphosphine-di-rhenate(III,III), octachloro-di-rhenate(III,III), tetra-n-butylammonium salt, dichloromethane solvate","","- C72 H166 Cl26 N4 P2 Re6 -","- C72 H166 Cl26 N4 P2 Re5.9988 -","- C288 H664 Cl104 N16 P8 Re23.9952 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 8. Synthesis and Crystal Structure of the Quadruply Bonded Dirhenium(III) Anion [Re2Cl7(PMe3)]-","Inorganic Chemistry","2001","40","","5716","5718","10.1021/ic010504d","","","0.71073","MoKα","","0.0925","0.0678","","0.1597","0.1459","","","","1.148","1.197","1.197","","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00",""
"4320528","22.506","0.003","27.7","0.006","10.729","0.002","90","","90","","90","","6689","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-dichloro(1,2-etanediolato)bis(2,4- di-t-butylphenolato)tungsten(VI)","","- C30 H46 Cl2 O4 W -","- C30 H46 Cl2 O4 W -","- C240 H368 Cl16 O32 W8 -","8","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.2005","0.0527","","","0.0926","0.1234","","","","","","0.923","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320551","13.7138","0.0016","15.7553","0.0018","17.831","0.002","90","","90","","90","","3852.7","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-Pyridylacetonitrile Pentaammineruthenium(II)","","","- C14 H38 Cl4 N14 O18 Ru2 -","- C14 H40 Cl4 N14 O18 Ru2 -","- C56 H160 Cl16 N56 O72 Ru8 -","4","0.5","","Scot Liu; Sheena Lee; Sabina Wang; Andrew Yeh; Han-Mou Gau; Ming-Yuan Shao","Oxidative Dehydrogenation on the α-Carbon of 4-Pyridylacetonitrile Complexes of Pentaammineruthenium(II)","Inorganic Chemistry","2001","40","","6139","6143","10.1021/ic000944p","","","0.71073","MoKα","","0.0904","0.0584","","","0.1479","0.1698","","","","","","1.106","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4320601","17.189","0.003","18.347","0.004","20.988","0.004","90","","90","","90","","6619","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","00216","(Me2Ac-Cl)CuCl * CH2Cl2","","- C30 H42 Cl4 Cu N2 -","- C30 H42 Cl4 Cu N2 -","- C240 H336 Cl32 Cu8 N16 -","8","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0921","0.0436","","","0.1011","0.1135","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4320760","8.9912","0.0003","15.3143","0.0005","25.3592","0.0009","90","","90","","90","","3491.8","0.2","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(dmppy)(bpy)]","","","- C19 H17 Cu N5 O2 -","- C19 H17 Cu N5 O2 -","- C152 H136 Cu8 N40 O16 -","8","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.0439","0.0334","","","0.0772","0.0814","","","","","","1.078","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320773","16.784","0.0011","13.2842","0.0008","19.9675","0.0013","90","","90","","90","","4452","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 Ru2 Si2 -","- C19 H22 O5 Ru2 Si2 -","- C152 H176 O40 Ru16 Si16 -","8","1","","Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici","Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles","Inorganic Chemistry","2001","40","","7014","7019","10.1021/ic010644n","","","0.71073","MoKα","","0.0376","0.023","","","0.0528","0.0571","","","","","","0.974","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320849","14.4648","0.0019","20.968","0.003","28.404","0.003","90","","90","","90","","8614.9","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Na.[Ni(3-MeOsal1,3pn)]2 I.EtOH","{[Sodium / N.N'-bis(3-methoxysalicylidene)propane-1,3 -diaminato nickel(II) (1/2)] / ethanol (1/1)}iodide","","- C40 H39 I N4 Na Ni2 O9 -","- C40 H39 I N4 Na Ni2 O9 -","- C320 H312 I8 N32 Na8 Ni16 O72 -","8","1","","D. Cunningham; P. McArdle; M. Mitchell; N. Ní Chonchubhair; M. O'Gara; Federico Franceschi; Carlo Floriani","Adduct Formation between Alkali Metal Ions and Divalent Metal Salicylaldimine Complexes Having Methoxy Substituents. A Structural Investigation","Inorganic Chemistry","2000","39","","1639","1649","10.1021/ic990496p","","","0.71069","MoKα","","0.1514","0.0558","","","0.1487","0.1739","","","","","","0.924","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320851","15.752","0.003","23.276","0.008","25.206","0.006","90","","90","","90","","9242","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","CsI.[Ni (3-MeOsal1,2pn)]2.H2O","[Caesium iodide / N.N'-bis(3-methoxysalicylidene) propane-1,2-diaminato nickel(II) (1/2)] / water (1/1)","","- C38 H40 Cs I N4 Ni2 O9 -","- C38 H40 Cs I N4 Ni2 O9 -","- C304 H320 Cs8 I8 N32 Ni16 O72 -","8","1","","D. Cunningham; P. McArdle; M. Mitchell; N. Ní Chonchubhair; M. O'Gara; Federico Franceschi; Carlo Floriani","Adduct Formation between Alkali Metal Ions and Divalent Metal Salicylaldimine Complexes Having Methoxy Substituents. A Structural Investigation","Inorganic Chemistry","2000","39","","1639","1649","10.1021/ic990496p","","","0.71069","MoKα","","0.1442","0.0719","","","0.202","0.2308","","","","","","0.937","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320925","16.2358","0.0007","18.3175","0.0007","27.068","0.0008","90","","90","","90","","8050","0.5","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H33 Cl5 N O2 P2 Rh -","- C44 H33 Cl5 N O2 P2 Rh -","- C352 H264 Cl40 N8 O16 P16 Rh8 -","8","1","","Swati Dutta; Shie-Ming Peng; Samaresh Bhattacharya","Ligand Control on Molecular Oxygen Activation by Rhodium Quinone Complexes","Inorganic Chemistry","2000","39","","2231","2234","10.1021/ic990999v","","","0.71073","MoKα","","0.1562","0.1146","","0.1341","0.1246","","","","1.379","1.457","1.457","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320978","14.468","0.002","10.393","0.001","16.479","0.002","90","","90","","90","","2477.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ASnBu-dimeric","","","- C8 H18 O2 S2 Sn -","- C8 H18 O2 S2 Sn -","- C64 H144 O16 S16 Sn8 -","8","1","","Raymundo Cea-Olivares; L. Adriana Gómez-Ortiz; Verónica García-Montalvo; Rubén L. Gaviño-Ramírez; Simón Hernández-Ortega","Formation of a Novel Trinuclear Spirostannoxane Tin(IV) Compound. Crystal and Molecular Structure of [Sn(nBu)(Cl){(OCH2CH2S)2Sn(nBu)}2] and the Stannolane [(nBu)Sn(SCH2CH2O)SCH2CH2OH]","Inorganic Chemistry","2000","39","","2284","2288","10.1021/ic991318z","","","0.71073","MoKα","","0.0589","0.0393","","0.0972","0.0907","","","","0.91","","","0.91","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4320988","10.49","0.002","10.09","0.002","20.54","0.004","90","","90","","90","","2174","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Compound4","","- C2 H12 As2 F2 Fe2 N2 O9 -","- C2 H12 As2 F2 Fe2 N2 O9 -","- C16 H96 As16 F16 Fe16 N16 O72 -","8","1","","S. Ekambaram; Slavi C. Sevov","Synthesis and Characterization of Four Ethylenediamine-Templated Iron Arsenates","Inorganic Chemistry","2000","39","","2405","2410","10.1021/ic991367b","","","0.71073","MoKα","","0.0573","0.0435","","","0.0785","0.0849","","","","","","1.063","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321161","18.4624","0.0017","13.7194","0.0017","20.3557","0.0019","90","","90","","90","","5156","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1a","","","- C24 H26 N2 O6 P2 Pd -","- C24 H26 N2 O6 P2 Pd -","- C192 H208 N16 O48 P16 Pd8 -","8","1","","Kent D. Redwine; William L. Wilson; Donald G. Moses; Vincent J. Catalano; John H. Nelson","Cooperative Diastereoselectivity of Palladium- and Platinum-Promoted Intramolecular [4+2] Diels-Alder Cycloaddition Reactions of 3,4-Dimethyl-1-phenylphosphole","Inorganic Chemistry","2000","39","","3392","3402","10.1021/ic990885j","","","0.71073","MoKα","","0.0528","0.0361","","","0.0836","0.0917","","","","","","1.02","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321162","18.537","0.002","13.727","0.0009","20.392","0.002","90","","90","","90","","5188.9","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1b","","","- C24 H26 N2 O6 P2 Pt -","- C24 H26 N2 O6 P2 Pt -","- C192 H208 N16 O48 P16 Pt8 -","8","1","","Kent D. Redwine; William L. Wilson; Donald G. Moses; Vincent J. Catalano; John H. Nelson","Cooperative Diastereoselectivity of Palladium- and Platinum-Promoted Intramolecular [4+2] Diels-Alder Cycloaddition Reactions of 3,4-Dimethyl-1-phenylphosphole","Inorganic Chemistry","2000","39","","3392","3402","10.1021/ic990885j","","","0.71073","MoKα","","0.1315","0.0529","","0.1104","0.0857","","","","1.001","1.128","1.128","","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321226","11.787","0.002","12.09","0.003","17.576","0.004","90","","90","","90","","2504.7","0.9","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 8a","","","- C8 H15 N2 S3 V -","- C8 H15 N2 S3 V -","- C64 H120 N16 S24 V8 -","8","1","","Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota","Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes","Inorganic Chemistry","2000","39","","3485","3498","10.1021/ic9909476","","","0.71073","MoKα","","0.0372","0.0308","","0.0855","0.0826","","","","1.121","","","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321280","13.403","0.009","18.805","0.013","36.46","0.03","90","","90","","90","","9190","12","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H84 Cl3 P4 Ru2 -","- C36 H84 Cl3 P4 Ru2 -","- C288 H672 Cl24 P32 Ru16 -","8","1","","Joseph N. Coalter; John C. Huffman; William E. Streib; Kenneth G. Caulton","A New Class of Electron-Rich Unsaturated Molecules: Ru2HnX4-n(PiPr3)4, X = Anion","Inorganic Chemistry","2000","39","","3757","3764","10.1021/ic991112y","","","0.71069","MoKα","","","0.0673","","","","0.043","","","","","","1.0169","","","","has coordinates,has disorder","179315","2020-10-21","18:00:00",""
"4321336","17.3577","0.0005","22.5064","0.0007","25.2381","0.0008","90","","90","","90","","9859.5","0.5","188","2","188","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(BzDATI)2]","","","- C54.5 H48 Cl Co N6 O4.5 S2 -","- C54.5 H48 Cl Co N6 O4.5 S2 -","- C436 H384 Cl8 Co8 N48 O36 S16 -","8","1","","Katherine J. Franz; Nisha Singh; Bernhard Spingler; Stephen J. Lippard","Aminotroponiminates as Ligands for Potential Metal-Based Nitric Oxide Sensors","Inorganic Chemistry","2000","39","","4081","4092","10.1021/ic000344q","","","0.71073","MoKα","","0.0876","0.0447","","","0.1037","0.1203","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321341","12.233","0.002","14.341","0.002","20.726","0.003","90","","90","","90","","3636","0.9","293","2","293","2","","","","","","","gm","6","P b c a","-P 2ac 2ab","61","","Technetium(3+)[1,4,7-trithiacyclononane][2,2'-thiodiethanethiolate(2-)] tetraflouroborate(-)","","- C10 H20 B F4 S6 Tc -","- C10 H20 B F4 S6 Tc -","- C80 H160 B8 F32 S48 Tc8 -","8","1","","Gregory E. D. Mullen; Philip J. Blower; Daniel J. Price; Anne K. Powell; Mark J. Howard; Michael J. Went","Trithiacyclononane as a Ligand for Potential Technetium and Rhenium Radiopharmaceuticals: Synthesis of [M(9S3)(SC2H4SC2H4S)][BF4] (M =99Tc, Re, 188Re) via C-S Bond Cleavage","Inorganic Chemistry","2000","39","","4093","4098","10.1021/ic991240m","","","0.71073","MoKα","","0.0465","0.0358","","0.0935","0.0876","","","","0.988","1.034","1.034","","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321344","11.8576","0.0012","12.671","0.0013","14.722","0.002","90","","90","","90","","2211.9","0.4","225","","225","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cl2 N O2 V -","- C8 H10 Cl2 N O2 V -","- C64 H80 Cl16 N8 O16 V8 -","8","1","","Henk Hagen; Chris Bezemer; Jaap Boersma; Huub Kooijman; Martin Lutz; Anthony L. Spek; Gerard van Koten","Vanadium(IV) and -(V) Complexes with O,N-Chelating Aminophenolate and Pyridylalkoxide Ligands","Inorganic Chemistry","2000","39","","3970","3977","10.1021/ic991415s","","","0.71073","MoKα","","0.0944","0.052","","","0.1173","0.1378","","","","","","1.045","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321349","17.78","0.02","17.7","0.01","15.75","0.01","90","","90","","90","","4957","7","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Cl Cu N3 O4 S -","- C21 H31 Cl Cu N3 O4 S -","- C168 H248 Cl8 Cu8 N24 O32 S8 -","8","1","","Takehiro Ohta; Takashi Tachiyama; Kazunari Yoshizawa; Tokio Yamabe; Takeshi Uchida; Teizo Kitagawa","Synthesis, Structure, and H2O2-Dependent Catalytic Functions of Disulfide-Bridged Dicopper(I) and Related Thioether-Copper(I) and Thioether-Copper(II) Complexes","Inorganic Chemistry","2000","39","","4358","4369","10.1021/ic000018a","","","0.7107","MoKα","","0.0587","0.0587","","","0.0611","0.0611","","","","","","1.486","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321354","13.8944","0.0001","17.8668","0.0001","20.7647","0.0002","90","","90","","90","","5154.8","0.07","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 N12 O6 Pt2 -","- C16 H32 N12 O6 Pt2 -","- C128 H256 N96 O48 Pt16 -","8","1","","Seiji Komeda; Martin Lutz; Anthony L. Spek; Masahiko Chikuma; Jan Reedijk","New Antitumor-Active Azole-Bridged Dinuclear Platinum(II) Complexes: Synthesis, Characterization, Crystal Structures, and Cytotoxic Studies","Inorganic Chemistry","2000","39","","4230","4236","10.1021/ic000273v","","","0.71073","MoKα","","0.0308","0.0272","","","0.0596","0.061","","","","","","1.133","","","","has coordinates,has disorder","179316","2020-10-21","18:00:00",""
"4321373","8.888","0.002","19.169","0.007","33.614","0.01","90","","90","","90","","5727","3","293","2","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 Cu N6 O3 -","- C35 H24 Cu N6 O3 -","- C280 H192 Cu8 N48 O24 -","8","1","","Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Gottfried Huttner; Albrecht Jacobi","Preparation and Oxygenation of (Flavonolato)copper Isoindoline Complexes with Relevance to Quercetin Dioxygenase","Inorganic Chemistry","2000","39","","4224","4229","10.1021/ic990521r","","","0.71073","MoKα","","0.1718","0.0878","","0.1842","0.1495","","","","1.238","1.427","1.427","","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321475","7.605","0.001","7.36","0.001","15.017","0.001","90","","90","","90","","840.54","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Difluoro)methoxioxo Iodine(V)","","- C H3 F2 I O2 -","- C H3 F2 I O2 -","- C8 H24 F16 I8 O16 -","8","1","","Rolf Minkwitz; Michael Berkei; Marc Studentkowski; Ralf Ludwig","Crystal Structure of (Difluoro)methoxyoxo Iodine(V) IF2(O)OCH3","Inorganic Chemistry","2000","39","","4766","4768","10.1021/ic000525s","","","0.71069","MoKα","","0.0497","0.0264","","0.0569","0.0516","","","","0.948","1.029","1.029","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4321541","11.833","0.003","13.363","0.002","26.015","0.002","90","","90","","90","","4113.6","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H27 Cl3 Co N5 O8 -","- C11 H27 Cl3 Co N5 O8 -","- C88 H216 Cl24 Co8 N40 O64 -","8","1","","Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez","Discrete Dinuclear Cyano-Bridged Complexes","Inorganic Chemistry","2000","39","","5203","5208","10.1021/ic000379q","","","0.71073","MoKα","","0.0759","0.0445","","","0.1222","0.1426","","","","","","1.025","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321547","12.839","0.003","24.285","0.005","29.587","0.006","90","","90","","90","","9225","3","100","0.5","100","0.5","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H43 Eu F9 N5 O16 S3 -","- C37 H43 Eu F9 N5 O16 S3 -","- C296 H344 Eu8 F72 N40 O128 S24 -","8","1","","P. Gawryszewska; L. Jerzykiewicz; M. Pietraszkiewicz; J. Legendziewicz; J. P. Riehl","Photophysics and Crystal Structure of a Europium(III) Cryptate Incorporating 3,3'-Biisoquinoline-2,2'-dioxide","Inorganic Chemistry","2000","39","","5365","5372","10.1021/ic0004683","","","0.71073","MoKα","","0.037","0.0279","","","0.0536","0.0556","","","","","","1.101","","","","has coordinates","179318","2020-10-21","18:00:00",""
"4321612","7.5801","0.0004","14.9046","0.0009","23.0845","0.0014","90","","90","","90","","2608","0.3","150","3","150","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","Te(N3)2(C6H5)2","","","- C12 H10 N6 Te -","- C12 H10 N6 Te -","- C96 H80 N48 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Oliver P. Ruscitti","First Synthesis and Structures of Aryltellurium(IV) Diazides","Inorganic Chemistry","2000","39","","5426","5427","10.1021/ic000810b","","","0.71073","MoKα","","0.0319","0.0209","","","0.0429","0.0447","","","","","","0.917","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321736","10.9234","0.0001","15.8804","0.0002","20.7466","0.0002","90","","90","","90","","3598.87","0.07","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-methylimidazole-ethylcobaloxime","trans-bis(Dimethylglyoximato)-ethyl-1-methylimidazole-cobalt(iii)","","- C14 H25 Co N6 O4 -","- C14 H25 Co N6 O4 -","- C112 H200 Co8 N48 O32 -","8","1","","Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli","Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals","Inorganic Chemistry","1999","38","","383","390","10.1021/ic980519k","","","0.71073","MoKα","","0.0601","0.0475","","0.1075","0.1024","","","","1.173","1.198","1.198","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321747","12.697","0.001","13.247","0.001","17.793","0.001","90","","90","","90","","2992.7","0.4","150","0.2","150","0.2","","","","","","","hydrothermal synthesis","6","P b c a","-P 2ac 2ab","61","","","","- C5 H16 Mo2 N2 O11 U -","- C5 H14 Mo2 N2 O11 U -","- C40 H112 Mo16 N16 O88 U8 -","8","1","","P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare","New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O","Inorganic Chemistry","1999","38","","271","279","10.1021/ic980836r","","","0.71073","MoKα","","0.0487","0.0476","","0.119","0.1186","","","","1.415","1.432","1.432","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321752","25.93","0.006","35.876","0.009","16.334","0.005","90","","90","","90","","15195","7","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H108 Au N3 Sn2 Te6 -","- C50 H108 Au N3 Sn2 Te6 -","- C400 H864 Au8 N24 Sn16 Te48 -","8","1","","Chwanchin Wang; Robert C. Haushalter","Synthesis and Structural Characterization of (n-Bu4N)3AuSn2Te6","Inorganic Chemistry","1999","38","","595","597","10.1021/ic980198c","","","0.7107","MoKalpha","","","0.0615","","","0.0812","","","","","3.465","3.465","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321764","20.858","0.002","10.88","0.002","7.743","0.002","90","","90","","90","","1757.2","0.6","193.2","","193.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 K O2 S -","- C8 H7 K O2 S -","- C64 H56 K8 O16 S8 -","8","1","","Osamu Niyomura; Shinzi Kato; Takahiro Kanda","Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues","Inorganic Chemistry","1999","38","","507","518","10.1021/ic9808091","","","0.7107","MoKα","","0.0454","0.0454","","","0.0478","0.0478","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321765","8.433","0.003","29.298","0.003","7.395","0.003","90","","90","","90","","1827.1","1","193.2","","193.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 O2 Rb S -","- C8 H7 O2 Rb S -","- C64 H56 O16 Rb8 S8 -","8","1","","Osamu Niyomura; Shinzi Kato; Takahiro Kanda","Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues","Inorganic Chemistry","1999","38","","507","518","10.1021/ic9808091","","","0.7107","MoKα","","0.0346","0.0346","","","0.0362","0.0361","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321875","27.99","0.01","18.318","0.008","6.68","0.01","90","","90","","90","","3425","5","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 N4 O0.5 Pt -","- C20 H12 N4 O0.5 Pt -","- C160 H96 N32 O4 Pt8 -","8","1","","Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura","Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions","Inorganic Chemistry","1999","38","","1638","1641","10.1021/ic981027a","","","0.7107","MoKα","","0.1559","0.0399","","0.1426","0.1038","0.1426","","","1.011","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321876","27.54","0.08","18.27","0.06","6.6","0.06","90","","90","","90","","3321","3","220","","123.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 N4 O0.5 Pt -","- C20 H12 N4 O0.5 Pt -","- C160 H96 N32 O4 Pt8 -","8","1","","Masako Kato; Chizuko Kosuge; Katsuyuki Morii; Jeung Sun Ahn; Hiroshi Kitagawa; Tadaoki Mitani; Michio Matsushita; Tatsuhisa Kato; Shigenobu Yano; Masaru Kimura","Luminescence Properties and Crystal Structures of Dicyano(diimine)platinum(II) Complexes Controlled by Pt...Pt and π-π Interactions","Inorganic Chemistry","1999","38","","1638","1641","10.1021/ic981027a","","","0.7107","MoKα","","0.1549","0.0771","","0.144","0.1091","0.144","","","1.224","1.356","1.356","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321898","8.473","0.002","15.427","0.003","17.387","0.003","90","","90","","90","","2272.7","0.8","293","2","293","2","","","","","","","synthesized","4","P b c a","-P 2ac 2ab","61","","4,5-DIAZAFLUORENE 9-ONE THIOSEMICARBAZONE","","- C12 H9 N5 S -","- C12 H9 N5 S -","- C96 H72 N40 S8 -","8","1","","Ze-Hua Liu; Chun-Ying Duan; Jun Hu; Xiao-Zeng You","Design, Synthesis, and Crystal Structure of a cis-Configuration N2S2-Coordinated Palladium(II) Complex: Role of the Intra- and Intermolecular Aromatic-Ring Stacking Interaction","Inorganic Chemistry","1999","38","","1719","1724","10.1021/ic9711731","","","0.71073","MoKα","","0.1443","0.0413","","0.1782","0.0859","","","","0.792","0.775","0.775","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4321908","21.3348","0.0001","16.6471","0.0001","32.1048","0.0004","90","","90","","90","","11402.4","0.17","173","2","173","2","","","","","","","K.C. / Prof. L. Que","6","P b c a","-P 2ac 2ab","61","97125","","","- C49.5 H54 Cl4 Fe2 N10 O19.5 -","- C49.5 H54 Cl4 Fe2 N10 O19.5 -","- C396 H432 Cl32 Fe16 N80 O156 -","8","1","","Gerard Roelfes; Marcel Lubben; Kui Chen; Raymond Y. N. Ho; Auke Meetsma; Susan Genseberger; Roel M. Hermant; Ronald Hage; Sanjay K. Mandal; Victor G. Young,; Yan Zang; Huub Kooijman; Anthony L. Spek; Lawrence Que,; Ben L. Feringa","Iron Chemistry of a Pentadentate Ligand That Generates a Metastable FeIII-OOH Intermediate","Inorganic Chemistry","1999","38","","1929","1936","10.1021/ic980983p","","","0.71073","MoKα","","0.1005","0.0696","","0.1261","0.1148","","","","1.146","1.214","1.214","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321913","20.6001","0.0002","15.9333","0.0002","22.4867","0.0004","90","","90","","90","","7380.75","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Ba Cl2 N5 O11 -","- C31 H37 Ba Cl2 N5 O11 -","- C248 H296 Ba8 Cl16 N40 O88 -","8","1","","David Esteban; Daniel Bañobre; Rufina Bastida; Andrés de Blas; Alejandro Macías; Adolfo Rodríguez; Teresa Rodríguez-Blas; David E. Fenton; Harry Adams; José Mahía","Barium Templating Schiff-Base Lateral Macrobicycles","Inorganic Chemistry","1999","38","","1937","1944","10.1021/ic9811190","","","0.71073","MoKα","","0.0919","0.0467","","","0.0938","0.1097","","","","","","0.933","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4321927","15.591","0.004","7.2274","0.0015","40.355","0.005","90","0.019","90","0.02","90","0.03","4547.3","1.6","200","2","200","2","","","","","","","2,4,6-Trimethylbenzaldehyde/Petrolether 60/70","6","P b c a","-P 2ac 2ab","61","catena-Poly{[(2,4,6-trimethylbenzaldehyde)pentafluorothiophenolato-zinc] -pentafluorothiophenolato}'","","","- C22 H12 F10 O S2 Zn -","- C22 H12 F10 O S2 Zn -","- C176 H96 F80 O8 S16 Zn8 -","8","1","","Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp","Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase","Inorganic Chemistry","1999","38","","1900","1907","10.1021/ic981227m","","","0.71073","MoKα","","0.1661","0.1285","","","0.3142","0.3462","","","","","","1.112","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4321933","22.603","0.004","34.759","0.006","18.167","0.003","90","","90","","90","","14273","4","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H53 Ce Co4 N15 O27 -","- C59.5 H48.5 Ce Co4 N14.5 O26.6667 -","- C476 H388 Ce8 Co32 N116 O213.333 -","8","1","","Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou","[Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts","Inorganic Chemistry","1999","38","","1834","1841","10.1021/ic981237n","","","0.71069","MoKα","","","0.0863","","","","0.0878","","","","","","2.0077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321964","13.285","0.005","9.569","0.002","16.46","0.003","90","","90","","90","","2092.5","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Br2 Co N4 O6 -","- C12 H28 Br2 Co N4 O6 -","- C48 H112 Br8 Co4 N16 O24 -","4","0.5","","David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams","Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance","Inorganic Chemistry","1999","38","","2057","2063","10.1021/ic9812609","","","0.71073","MoKα","","0.079","0.0433","","0.1136","0.0959","","","","0.982","1.014","1.014","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321973","11.738","0.003","14.503","0.004","19.731","0.004","90","","90","","90","","3358.9","1.4","203","","203","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl Cu N3 O -","- C17 H22 Cl Cu N3 O -","- C136 H176 Cl8 Cu8 N24 O8 -","8","1","","Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green","Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes","Inorganic Chemistry","1999","38","","2071","2078","10.1021/ic981324f","","","0.71073","Mo-Kα","","","0.086","","","","0.278","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322137","14.547","0.006","22.868","0.006","30.659","0.01","90","","90","","90","","10199","6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H44 Cu F6 N4 P -","- C58 H44 Cu F6 N4 P -","- C464 H352 Cu8 F48 N32 P8 -","8","1","","Mark T. Miller; Peter K. Gantzel; Timothy B. Karpishin","Effects of Sterics and Electronic Delocalization on the Photophysical, Structural, and Electrochemical Properties of 2,9-Disubstituted 1,10-Phenanthroline Copper(I) Complexes","Inorganic Chemistry","1999","38","","3414","3422","10.1021/ic9900399","","","0.71073","MoKα","","0.191","0.0943","","0.2745","0.2044","","","","1.026","1.132","1.132","","","","","has coordinates,has disorder","179324","2020-10-21","18:00:00",""
"4322141","12.876","0.002","12.1351","0.0007","13.2125","0.0007","90","","90","","90","","2064.5","0.4","213","2","213","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","trans-Tetrachloro-bis(triethylphosphine)-rhenium (IV)","","- C12 H30 Cl4 P2 Re -","- C12 H30 Cl4 P2 Re -","- C48 H120 Cl16 P8 Re4 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 5. Reduction or Disproportionation at the Re26+ Unit in Reactions with Tertiary Phosphines in Different Solvents","Inorganic Chemistry","1999","38","","3384","3389","10.1021/ic990114f","","","0.71073","MoKα","","0.0401","0.0333","","0.087","0.0817","","","","1.092","1.126","1.126","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322150","16.245","0.006","21.12","0.01","12.868","0.006","90","","90","","90","","4415","3","20","","20","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H26 Cl Cu N7 O4 -","- C136 H208 Cl8 Cu8 N56 O32 -","- C136 H208 Cl8 Cu8 N56 O32 -","","","","Yoshiki Shii; Yuri Motoda; Toshihiro Matsuo; Fumiaki Kai; Toshio Nakashima; Jean-Pierre Tuchagues; Naohide Matsumoto","Deprotonation-Induced Enantioselective Aggregation and Deprotonation-Induced Ligand Rearrangement of Copper(II) Complexes Yield 1D Homochiral and Heterochiral Chains and a Cyclic Tetramer, Respectively","Inorganic Chemistry","1999","38","","3513","3522","10.1021/ic9813260","","","0.7107","MoKalpha","","","0.052","","","0.029","","","","","1.72","1.72","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322234","9.4321","0.0007","14.1919","0.0014","26.5484","0.0014","90","","90","","90","","3553.8","0.5","293","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O3 V -","- C18 H24 N2 O3 V -","- C144 H192 N16 O24 V8 -","8","1","","Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten","Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center","Inorganic Chemistry","1999","38","","4079","4086","10.1021/ic9901564","","","0.71073","MoKα","","0.1466","0.0565","","0.1049","0.0829","","","","0.973","1.115","1.115","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322267","19.052","0.001","21.658","0.001","26.677","0.001","90","","90","","90","","11007.7","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C51 H83 Lu N8 -","- C51 H83 Lu N8 -","- C408 H664 Lu8 N64 -","8","1","","Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter","Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors","Inorganic Chemistry","1999","38","","4539","4548","10.1021/ic990319o","","","0.71073","MoKα","","0.0828","0.0489","","0.1115","0.0979","","","","1.094","1.161","1.161","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322268","19.027","0.0006","21.5576","0.0008","26.6172","0.0009","90","","90","","90","","10917.7","0.6","219","2","219","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C51 H83 Er N8 -","- C51 H83 Er N8 -","- C408 H664 Er8 N64 -","8","1","","Dirk Pfeiffer; Bhekumusa J. Ximba; Louise M. Liable-Sands; Arnold L. Rheingold; Mary Jane Heeg; David M. Coleman; H. Bernhard Schlegel; Thomas F. Kuech; Charles H. Winter","Synthesis, Structure, and Molecular Orbital Studies of Yttrium, Erbium, and Lutetium Complexes Bearing η2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors","Inorganic Chemistry","1999","38","","4539","4548","10.1021/ic990319o","","","0.71073","MoKα","","0.0433","0.0309","","0.1002","0.0881","","","","2.169","2.173","2.173","","","","","has coordinates,has disorder","179325","2020-10-21","18:00:00",""
"4322341","25.7267","0.0009","15.6628","0.0008","32.236","0.003","90","","90","","90","","12989.6","1.5","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","Bis(trans-dichloro-bis(4-tert-butylpyridine))-di-molybdenum (II), D2h/D2d-isomers, tetrahydrofurane solvate","","- C38.67 H57.33 Cl4 Mo2 N4 O0.67 -","- C38.6667 H57.3333 Cl4 Mo2 N4 O0.666667 -","- C464 H688 Cl48 Mo24 N48 O8 -","12","1.5","","F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero; Barbara Modec","Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 4. Rotational Isomers of Mo2Cl4(R-py)4 (R-py = 4-Picoline, 3,5-Lutidine, and 4-tert-Butylpyridine)","Inorganic Chemistry","1999","38","","4882","4887","10.1021/ic990728k","","","0.71073","MoKα","","0.0531","0.0439","","0.1128","0.102","","","","1.124","1.11","1.11","","","","","has coordinates,has disorder","179326","2020-10-21","18:00:00",""
"4322377","17.09","0.002","10.26","0.002","17.521","0.004","90","","90","","90","","3072.2","1","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","compound 3","","- C22 H54 Al2 O2 Si2 -","- C22 H54 Al2 O2 Si2 -","- C88 H216 Al8 O8 Si8 -","4","0.5","","Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron","An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds","Inorganic Chemistry","1999","38","","5235","5240","10.1021/ic990185e","","","0.71073","MoKα","","0.1168","0.0725","","0.1903","0.1388","","","","1.062","1.051","1.051","","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322450","8.873","0.002","17.394","0.006","21.778","0.003","90","","90","","90","","3361.2","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl8 Nb2 P4 -","- C24 H28 Cl8 Nb2 P4 -","- C96 H112 Cl32 Nb8 P16 -","4","0.5","","Joseph T. Scheper; Kumudini C. Jayaratne; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold; Charles H. Winter","Synthesis, Structure, and Chemical Vapor Deposition Studies of Molecular Precursors to NbP Films","Inorganic Chemistry","1999","38","","4354","4360","10.1021/ic990198s","","","0.71073","MoKα","","0.0441","0.0284","","0.0621","0.0602","","","","0.835","0.989","0.989","","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322474","15.211","0.002","8.5113","0.0009","20.548","0.003","90","","90","","90","","2660.3","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H18 O S4 -","- C10 H18 O S4 -","- C80 H144 O8 S32 -","8","1","","Ksenia Krylova; Chandrika P. Kulatilleke; Mary Jane Heeg; Cynthia A. Salhi; L. A. Ochrymowycz; D. B. Rorabacher","A Structural Strategy for Generating Rapid Electron-Transfer Kinetics in Copper(II/I) Systems","Inorganic Chemistry","1999","38","","4322","4328","10.1021/ic990365o","","","1.54178","CuKα","","0.0534","0.0474","","0.1435","0.1297","","","","0.932","0.969","0.969","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4322523","18.813","0.002","15.241","0.002","27.322","0.002","90","","90","","90","","7834","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H71 B2 La2 N27 O17 -","- C63 H64 B2 La2 N27 O17 -","- C252 H256 B8 La8 N108 O68 -","4","0.5","","Nicola Armaroli; Gianluca Accorsi; Francesco Barigelletti; Samantha M. Couchman; James S. Fleming; Nicholas C. Harden; John C. Jeffery; Karen L. V. Mann; Jon A. McCleverty; Leigh H. Rees; Sarah R. Starling; Michael D. Ward","Structural and Photophysical Properties of Mononuclear and Dinuclear Lanthanide(III) Complexes of Multidentate Podand Ligands Based on Poly(pyrazolyl)borates","Inorganic Chemistry","1999","38","","5769","5776","10.1021/ic990708i","","","0.71073","MoKα","","0.0456","0.0323","","0.1004","0.093","","","","1.072","1.12","1.12","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322533","11.5548","0.0002","20.0716","0.0003","21.5875","0.0001","90","","90","","90","","5006.64","0.12","132","2","132","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl2 N2 O2 Ti -","- C24 H28 Cl2 N2 O2 Ti -","- C192 H224 Cl16 N16 O16 Ti8 -","8","1","","Lena Kakaliou; Scanlon; Baixin Qian; Sung W. Baek; Milton R. Smith; Douglas H. Motry","Five- and Six-Coordinate Group 4 Compounds Stabilized by β-Ketiminate and Diketiminate Ligands: Syntheses and Comparisons between Solid-State and Solution Structures","Inorganic Chemistry","1999","38","","5964","5977","10.1021/ic981364j","","","0.71073","MoKα","","0.1141","0.0634","","0.1086","0.0958","","","","1.094","1.181","1.181","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322567","14.2099","0.0007","13.8261","0.0007","18.9295","0.0009","90","","90","","90","","3719","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H13 N3 O3 S W -","- C20 H13 N3 O3 S W -","- C160 H104 N24 O24 S8 W8 -","8","1","","Kenneth B. Capps; Andreas Bauer; Khalil A. Abboud; Carl D. Hoff","Reaction of .NO Thiolate and Thiol Complexes: Elimination of PhSNO from W(phen)(CO)2(SPh)2, CO from W(phen)(CO)2((-S)2Arene), and HNO from W(phen)(CO)3(RSH)","Inorganic Chemistry","1999","38","","6212","6217","10.1021/ic990830h","","","0.71073","MoKα","","0.0227","0.0164","","","0.0358","0.0381","","","","","","1.056","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322570","7.5195","0.0008","12.637","0.0014","7.5287","0.0008","90","","90","","90","","715.41","0.13","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cu2 S2 Sm2 Te2 -","- Cu2 S2 Sm2 Te2 -","- Cu8 S8 Sm8 Te8 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses, Structures, and Theoretical Study of LaCuSTe and SmCuSTe","Inorganic Chemistry","1999","38","","5978","5983","10.1021/ic990835e","","","0.71073","MoKα","","0.0233","0.023","","","0.0682","0.0684","","","","","","1.425","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322612","9.2702","0.0001","20.1017","0.0002","25.9256","0.0004","90","","90","","90","","4831.15","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H39 N2 Na S -","- C21 H39 N2 Na S -","- C168 H312 N16 Na8 S8 -","8","1","","Ulrich Englich; Scott Chadwick; Karin Ruhlandt-Senge","Sodium and Potassium Triisopropylbenzenethiolates: Influence on Solid-State Structure by Metal and Donor","Inorganic Chemistry","1998","37","","283","293","10.1021/ic970769l","","","0.71073","MoKα","","0.1125","0.0637","","0.135","0.1171","","","","1.053","1.14","1.14","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322614","10.4903","0.0002","20.1551","0.0005","26.4295","0.0004","90","","90","","90","","5588.07","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H46 K N3 S -","- C24 H46 K N3 S -","- C192 H368 K8 N24 S8 -","8","1","","Ulrich Englich; Scott Chadwick; Karin Ruhlandt-Senge","Sodium and Potassium Triisopropylbenzenethiolates: Influence on Solid-State Structure by Metal and Donor","Inorganic Chemistry","1998","37","","283","293","10.1021/ic970769l","","","0.71073","MoKα","","0.146","0.076","","0.1683","0.1432","","","","1.006","1.136","1.136","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322620","20.059","0.002","17.0467","0.0006","33.262","0.002","90","","90","","90","","11373.6","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H64 B2 Fe N6 -","- C70 H64 B2 Fe N6 -","- C560 H512 B16 Fe8 N48 -","8","1","","Alain Diebold; Karl S. Hagen","Iron(II) Polyamine Chemistry: Variation of Spin State and Coordination Number in Solid State and Solution with Iron(II) Tris(2-pyridylmethyl)amine Complexes","Inorganic Chemistry","1998","37","","215","223","10.1021/ic971105e","","","1.54178","CuKα","","0.1076","0.0625","","0.1597","0.1318","","","","1.021","1.061","1.061","","","","","has coordinates","179329","2020-10-21","18:00:00",""
"4322627","10.681","0.002","25.524","0.003","10.516","0.001","90","","90","","90","","2866.9","0.7","298.2","","298.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","[NEt4][Cu(SAd)2]2","","","- C28 H50 Cu N S2 -","- C28 H30 Cu0.5 N0.5 S2 -","- C112 H120 Cu2 N2 S8 -","4","0.5","","Kiyoshi Fujisawa; Sadako Imai; Nobumasa Kitajima; Yoshihiko Moro-oka","Preparation, Spectroscopic Characterization, and Molecular Structure of Copper(I) Aliphatic Thiolate Complexes","Inorganic Chemistry","1998","37","","168","169","10.1021/ic971317b","","","0.7107","MoKα","","","0.069","","","0.068","","","","","6.04","6.04","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322676","15.0617","0.0005","18.2953","0.0006","19.7456","0.0006","90","","90","","90","","5441.1","0.3","173","2","173","2","","","","","","","Lisa Berreau/ Prof. W. Tolman","6","P b c a","-P 2ac 2ab","61","96110","","","- C21 H43 Cl Cu N5 O5 -","- C21 H43 Cl Cu N5 O5 -","- C168 H344 Cl8 Cu8 N40 O40 -","8","1","","Lisa M. Berreau; Jason A. Halfen; Victor G. Young; William B. Tolman","Synthesis and Copper Coordination Chemistry of Hindered 1,4,7-Triazacyclononane Ligands with Amide Appendages","Inorganic Chemistry","1998","37","","1091","1098","10.1021/ic971115f","","","0.71073","MoKα","","0.0737","0.0607","","0.1403","0.1324","","","","1.064","1.099","1.099","","","","","has coordinates,has disorder","179329","2020-10-21","18:00:00",""
"4322700","11.779","0.002","15.975","0.004","29.476","0.003","90","","90","","90","","5546.5","1.8","293","1","293","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H32 B I N6 O4 W -","- C22 H28 B I N6 O4 W -","- C176 H224 B8 I8 N48 O32 W8 -","8","1","","Charles G. Young; Simon Thomas; Robert W. Gable","Halocarbonyltungsten(II) Complexes Containing Tripodal Tris(pyrazolyl)borate Ligands","Inorganic Chemistry","1998","37","","1299","1306","10.1021/ic970838w","","","0.71073","MoKα","","0.0962","0.0379","","0.0948","0.0797","","","","1.031","1.1","1.1","","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4322709","18.4536","0.0014","15.2326","0.0009","20.6143","0.0015","90","","90","","90","","5794.6","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H43 Mg N3 Si4 -","- C19 H43 Mg N2 Si4 -","- C152 H344 Mg8 N16 Si32 -","8","1","","Jennifer L. Sebestl; T. Timothy Nadasdi; Mary Jane Heeg; Charles H. Winter","Monomeric Three- and Four-Coordinate Magnesium Amides","Inorganic Chemistry","1998","37","","1289","1294","10.1021/ic970905m","","","0.71073","MoKα","","0.2506","0.0842","","0.2411","0.1784","","","","0.94","1.178","1.178","","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4322710","18.6221","0.0013","15.3236","0.0009","20.9085","0.0014","90","","90","","90","","5966.4","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 Mg N3 Si4 -","- C19 H45 Mg N3 Si4 -","- C152 H360 Mg8 N24 Si32 -","8","1","","Jennifer L. Sebestl; T. Timothy Nadasdi; Mary Jane Heeg; Charles H. Winter","Monomeric Three- and Four-Coordinate Magnesium Amides","Inorganic Chemistry","1998","37","","1289","1294","10.1021/ic970905m","","","0.71073","MoKα","","0.2326","0.0839","","0.1977","0.1531","","","","0.986","1.228","1.228","","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4322756","21.043","0.002","16.378","0.002","29.347","0.004","90","","90","","90","","10114","2","166","2","166","2","","","","","","","methanol/dichloromethane","7","P b c a","-P 2ac 2ab","61","Tp^Cum,Me^Zn(HphCat)","Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato-zinc- 5-hydroxy-6-oxo-phtalimide","","- C49.5 H56 B Cl3 N7 O5 Zn -","- C49.5 H56 B Cl3 N7 O5 Zn -","- C396 H448 B8 Cl24 N56 O40 Zn8 -","8","1","","Michael Ruf; Andrew M. Lawrence; Bruce C. Noll; Cortlandt G. Pierpont","Silicon and Zinc Coordination to Peripheral Catechol Sites of (2,3,9,10,16,17,23,24-Octahydroxyphthalocyaninato)nickel(II). Phthalocyanine Coordination Chemistry at the Edge","Inorganic Chemistry","1998","37","","1992","1999","10.1021/ic980036g","","","0.71073","MoKα","","0.0761","0.0573","","0.1585","0.1377","","","","1.084","1.109","1.109","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4322796","12.587","0.002","12.329","0.003","28.382","0.005","90","","90","","90","","4404.5","1.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cis,cis,cis-[dichloro-bis(dimethylsulfoxide)-(lutidine) (1,2-dimethylimidazole)-ruthenium(II)]","","- C16 H29 Cl2 N3 O2 Ru S2 -","- C16 H20 Cl2 N3 O2 Ru S2 -","- C128 H160 Cl16 N24 O16 Ru8 S16 -","8","1","","Enzo Alessio; Ennio Zangrando; Romeo Roppa; Luigi G. Marzilli","Crystals Containing Conformers: A Rare Case in Which a Solid Closely Reflects a Solution Equilibrium Mixture","Inorganic Chemistry","1998","37","","2458","2463","10.1021/ic980066j","","","0.71069","MoKα","","0.093","0.0429","","0.1379","0.1085","","","","1.285","1.273","1.273","","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4322805","14.439","0.006","19.807","0.006","38.156","0.006","90","","90","","90","","10912","6","293","","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis(triphenylphosphino)platinum(II)(m-buthanodithiolate) (1,5-cyclooctadiene)rhodium(I)perchlorate","","- C48.5 H43 Cl2 O4 P2 Pt Rh S2 -","- C48.5 H43 Cl2 O4 P2 Pt Rh S2 -","- C388 H344 Cl16 O32 P16 Pt8 Rh8 S16 -","8","1","","Jorge Forniés-Cámer; Anna M. Masdeu-Bultó; Carmen Claver; Christine J. Cardin","Mononuclear Platinum(II) and Palladium(II) Dithiolate Complexes as Chelate Metalloligands for Preparation of Heterobimetallic d8-d8 Complexes","Inorganic Chemistry","1998","37","","2626","2632","10.1021/ic970557o","","","0.71073","MoKα","","0.1346","0.0864","","0.2784","0.2457","","","","1.132","1.256","1.256","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322828","18.132","0.012","14.927","0.006","8.629","0.004","90","","90","","90","","2335","2","293","2","293","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cu N6 -","- C11 H11 Cu N6 -","- C88 H88 Cu8 N48 -","8","1","","José M. Domínguez-Vera; Fernando Cámara; José M. Moreno; Enrique Colacio; Helen Stoeckli-Evans","A New Mononuclear Copper(II) Complex Containing Two Imidazolyl Moieties as Precursor of Self-Assembled and NiIICuIINiII Heterobimetallic Complexes","Inorganic Chemistry","1998","37","","3046","3050","10.1021/ic971055d","","","0.71073","MoKα","","0.1586","0.0836","","0.1433","0.1244","","","","1.169","1.345","1.345","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322837","18.281","0.013","8.429","0.007","18.521","0.012","90","","90","","90","","2854","4","268","2","268","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Cr F10 Xe -","- Cr F10 Xe -","- Cr16 F160 Xe16 -","16","2","","Dr. Karel Lutar; Dr. Horst Borrmann; Prof. Dr. Boris Žemva","XeF~2~.2CrF~4~ and XeF~5~^+^CrF~5~^-^: Syntheses, Crystal Structures, and Some Properties","Inorganic Chemistry","1998","37","","3002","3006","10.1021/ic971580c","","","0.71073","MoKα","","0.0906","0.0786","","","0.185","0.1957","","","","","","1.1","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322870","33.33","0.03","19.44","0.003","16.698","0.003","90","","90","","90","","10819","10","288.2","","288.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C44 H81 B F3 N6 O9 Ru S -","- C44 H77 B F3 N6 O9 Ru S -","- C352 H616 B8 F24 N48 O72 Ru8 S8 -","8","1","","Yoshiaki Takahashi; Munetaka Akita; Shiro Hikichi; Yoshihiko Moro-oka","Synthesis of Various Cationic Ruthenium-Aqua Complexes with Hydrotris(3,5-diisopropylpyrazolyl)borate Ligand, TpiPrRu(OH2)n(L)3-n.(CF3SO3)(THF)x, and Their Structures Supported by Hydrogen-Bonding Networks1","Inorganic Chemistry","1998","37","","3186","3194","10.1021/ic9801802","","","0.7107","MoKα","","","0.085","","","0.1034","","","","","3.446","3.446","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322987","18.0948","0.0004","16.9408","0.0001","35.0968","0.0007","90","","90","","90","","10758.6","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H90 Ca O7 S2 -","- C52 H90 Ca O7 S2 -","- C416 H720 Ca8 O56 S16 -","8","1","","Scott Chadwick; Ulrich Englich; Bruce Noll; Karin Ruhlandt-Senge","Syntheses and Structure Determinations of Calcium Thiolates","Inorganic Chemistry","1998","37","","4718","4725","10.1021/ic980086l","","","0.71073","MoKα","","0.1824","0.1238","","","0.1667","0.1862","","","","","","1.201","","","","has coordinates,has disorder","179332","2020-10-21","18:00:00",""
"4323045","11.2884","0.0007","11.3981","0.001","16.5299","0.0013","90","","90","","90","","2126.8","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(2,4'-bipyridine)silver(I) nitrate","(2,4'-bipyridine)silver(I) nitrate","","- C10 H8 Ag N3 O3 -","- C10 H8 Ag N3 O3 -","- C80 H64 Ag8 N24 O24 -","8","1","","Ming-Liang Tong; Xiao-Ming Chen; Bao-Hui Ye; Seik Weng Ng","Helical Silver(I)-2,4'-Bipyridine Chains Organized into 2-D Networks by Metal-Counterion or Metal-Metal Bonding. Structures of [Ag(2,4'-bipyridine)]X (X = NO~3~ or ClO~4~)","Inorganic Chemistry","1998","37","","5278","5281","10.1021/ic971579d","","","0.71073","MoKα","","0.0612","0.0327","","0.0625","0.0547","","","","1.035","1.102","1.102","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323055","16.3747","0.0011","15.855","0.002","18.1999","0.001","90","","90","","90","","4725.1","0.7","168","","168","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H72 Al4 Eu2 O12 -","- C28 H72 Al4 Eu2 O12 -","- C112 H288 Al16 Eu8 O48 -","4","0.5","","William J. Evans; Michael A. Greci; Joseph W. Ziller","Utility of 2-Methoxyethanol in the Synthesis of Polyeuropium Complexes: {[Eu(OCH2CH2OMe)2(OC6H3R2-2,6)-][H+]}4 (R = Me,iPr) and [EuAl2(OCH2CH2OMe)3Me5]2","Inorganic Chemistry","1998","37","","5221","5226","10.1021/ic9803311","","","0.71073","MoKα","","0.0844","0.0452","","0.1385","0.1108","","","","0.939","0.944","0.944","","","","","has coordinates,has disorder","179333","2020-10-21","18:00:00",""
"4323056","14.723","0.003","14.417","0.003","26.243","0.004","90","","90","","90","","5570.4","1.8","183","2","183","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C16 H39 F3 Mo N6 O3 S Si2 -","- C16 H39 F3 Mo N6 O3 S Si2 -","- C128 H312 F24 Mo8 N48 O24 S8 Si16 -","8","1","","Myra B. O'Donoghue; William M. Davis; Richard R. Schrock","Derivatization of Dinitrogen by Molybdenum in Triamidoamine Complexes","Inorganic Chemistry","1998","37","","5149","5158","10.1021/ic9803513","","","0.71073","MoKα","","0.1005","0.0851","","0.1589","0.1522","","","","1.293","1.338","1.338","","","","","has coordinates,has disorder","179333","2020-10-21","18:00:00",""
"4323057","15.61","0.003","12.478","0.003","34.085","0.005","90","","90","","90","","6639","2","183","2","183","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C18 H45 F3 Mo N6 O3 S Si3 -","- C18 H45 F3 Mo N6 O3 S Si3 -","- C144 H360 F24 Mo8 N48 O24 S8 Si24 -","8","1","","Myra B. O'Donoghue; William M. Davis; Richard R. Schrock","Derivatization of Dinitrogen by Molybdenum in Triamidoamine Complexes","Inorganic Chemistry","1998","37","","5149","5158","10.1021/ic9803513","","","0.71073","MoKα","","0.0531","0.0452","","0.1609","0.1452","","","","0.855","0.855","0.855","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323109","18.755","0.004","7.267","0.002","18.812","0.005","90","","90","","90","","2563.9","1.1","198","2","198","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cs O -","- C12 H17 Cs O -","- C96 H136 Cs8 O8 -","8","1","","David L. Clark; Damon R. Click; Rebecca V. Hollis; Brian L. Scott; John G. Watkin","Unusual Two-Dimensional Sheet Structure of the Solvent-Free Cesium Aryloxide Complex CsO-2,6-i-Pr2C6H3","Inorganic Chemistry","1998","37","","5700","5703","10.1021/ic980630q","","","0.71073","MoKα","","0.0857","0.0402","","0.1323","0.0959","","","","0.844","0.84","0.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323145","11.9643","0.0001","16.087","0.0001","17.8681","0.0001","90","","90","","90","","3439.07","0.04","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H20 P2 S5 -","- C11 H20 P2 S5 -","- C88 H160 P16 S40 -","8","1","","Scott Flanagan; Henry A. Luten; William S. Rees","Reaction of β-Diketones with P4S10 To Produce Novel Alkyl-Phosphorus-Sulfur Clusters","Inorganic Chemistry","1998","37","","6093","6095","10.1021/ic9709234","","","0.71073","MoKα","","0.0277","0.0238","","0.0672","0.0627","","","","1.071","1.056","1.056","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323178","15.041","0.007","23.986","0.008","28.94","0.019","90","","90","","90","","10441","9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C50 H42 Cl6 F6 N3 O P3 Ru -","- C50 H42 Cl6 F6 N3 O P3 Ru -","- C400 H336 Cl48 F48 N24 O8 P24 Ru8 -","8","1","","Maya Shivakumar; Kausikisankar Pramanik; Prasanta Ghosh; Animesh Chakravorty","Isolation and Structure of the First Azo Anion Radical Complexes of Ruthenium","Inorganic Chemistry","1998","37","","5968","5969","10.1021/ic980719w","","","0.71073","MoKα","","0.1163","0.06","","0.1803","0.1346","","","","1.067","1.105","1.105","","","","","has coordinates","179334","2020-10-21","18:00:00",""
"4323213","10.383","0.002","12.615","0.003","17.844","0.004","90","","90","","90","","2337.2","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl4 N4 O2 Pt -","- C16 H28 Cl4 N4 O2 Pt -","- C64 H112 Cl16 N16 O8 Pt4 -","4","0.5","","Vadim Yu. Kukushkin; Tatyana B. Pakhomova; Yuri N. Kukushkin; Rudolf Herrmann; Gabriele Wagner; Armando J. L. Pombeiro","Iminoacylation. 1. Addition of Ketoximes or Aldoximes to Platinum(IV)-Bound Organonitriles","Inorganic Chemistry","1998","37","","6511","6517","10.1021/ic9807745","","","0.71073","MoKα","","0.0263","0.0263","","0.0673","0.0673","","","","1.044","1.044","1.044","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323294","8.263","","10.884","","22.963","","90","","90","","90","","2065.17","","193","4","193","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 O5 Re -","- C7 H15 O5 Re -","- C56 H120 O40 Re8 -","8","1","","Wolfgang A. Herrmann; William A. Wojtczak; Georg R. J. Artus; Fritz E. Kühn; Mike R. Mattner","Multiple Bonds Between Main Group Elements and Transition Metals. 151.1 Trioxorhenium(VII) Alkoxide Complexes","Inorganic Chemistry","1997","36","","465","471","10.1021/ic951508j","","","0.71073","MoKα","","","0.0438","","","0.0276","","","","","1.1671","1.1671","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4323332","14.958","0.002","15.823","0.002","27.8014","0.0009","90","","90","","90","","6580","1.2","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","cis,trans-Tetrachloro-bis(dibutylamido)-dimethyl- phosphinomethan ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,trans)- 1,2-dimethylphosphinomethan ditungsten(III)","","- C21 H50 Cl4 N2 P2 W2 -","- C21 H50 Cl4 N2 P2 W2 -","- C168 H400 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.0941","0.0448","","0.1393","0.1083","","","","0.845","1.029","1.029","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323334","14.772","0.002","17.188","0.001","25.37","0.003","90","","90","","90","","6441.5","1.2","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","cis,cis-Tetrachloro-bis(dibutylamido)-bis(dimethyl- phosphino)methane ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(dibutylamido)-(cis,cis)- 1,2-bis(dimethylphosphino)methane ditungsten(III)","","- C21 H50 Cl4 N2 P2 W2 -","- C21 H50 Cl4 N2 P2 W2 -","- C168 H400 Cl32 N16 P16 W16 -","8","1","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 5. Preparation and Characterization of W2Cl4(NEt2)2(L-L) (L-L = dmpm, dmpe, dppe), W2Cl4(NBu2)2(L-L) (L-L = dmpm, dmpe), and W2Cl4(NHex2)2(dmpm). First Complexes with Bridging Diphosphine Ligands in a cis,trans-Stereochemistry","Inorganic Chemistry","1997","36","","902","912","10.1021/ic961151z","","","0.71073","MoKα","","0.0984","0.0399","","0.1141","0.0861","","","","0.751","0.9","0.9","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323356","29.616","0.008","12.861","0.005","12.397","0.007","90","","90","","90","","4722","3","20","","20","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cr2 O6 -","- C224 H160 Cr16 O48 -","- C224 H160 Cr16 O48 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.045","","","0.045","","","","","1.36","1.36","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323408","14.173","0.002","14.383","0.001","30.622","0.003","90","0","90","0","90","0","6242.3","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H45 Cl3 N8 Ni O13 -","- C18 H45 Cl3 N8 Ni O16 -","- C144 H360 Cl24 N64 Ni8 O128 -","8","1","","Giancarlo De Santis; Luigi Fabbrizzi; Angelo Perotti; Nicola Sardone; Angelo Taglietti","A Loose Cage for Transition Metals","Inorganic Chemistry","1997","36","","1998","2003","10.1021/ic960933p","","","1.54184","CuKα","","","0.049","","","0.054","","","","","2.51","2.51","","","","","has coordinates","189264","2020-10-21","18:00:00",""
"4323409","14.791","0.003","20.35","0.007","27.058","0.004","90","","90","","90","","8144","3","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C35 H38 F12 Fe N6 O3 P2 V -","- C35 H38 F12 Fe N6 O3 P2 V -","- C280 H304 F96 Fe8 N48 O24 P16 V8 -","8","1","","David G. McCollum; Glenn P. A. Yap; Louise Liable-Sands; Arnold L. Rheingold; B. Bosnich","Bimetallic Reactivity. Oxo Transfer Reactions with a Heterobimetallic Complex of Iron(II) and Vanadium(III)","Inorganic Chemistry","1997","36","","2230","2235","10.1021/ic9609923","","","0.71073","MoKα","","0.1531","0.0556","","0.1245","0.1106","","","","1.003","1.46","1.46","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323555","28.46","0.01","19.28","0.005","18.339","0.004","90","","90","","90","","10063","5","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H62 Cl4 Cu2 N10 O11 -","- C36 H56 Cl4 Cu2 N10 O11 -","- C288 H448 Cl32 Cu16 N80 O88 -","8","1","","Masahito Kodera; Norihisa Terasako; Toshio Kita; Yoshimitsu Tachi; Koji Kano; Mikio Yamazaki; Masayuki Koikawa; Tadashi Tokii","Synthesis, Crystal Structures, and Catalytic Activity of Dicopper(II) Complexes with Dinucleating Tetraimidazole Ligands [Cu2(RO)(mbipl)](ClO4)2 (R = Me, Et, 2-Pr; Hmbipl = 1,5-Bis[bis[(1-methyl-4-imidazolyl)methyl]amino]-3-pentanol) and [Cu2(MeO)(pbipl)](ClO4)2 (Hpbipl = 1,5-Bis[bis[(1-isopropyl-4-imidazolyl)methyl]amino]-3-pentanol)","Inorganic Chemistry","1997","36","","3861","3868","10.1021/ic961267v","","","0.7107","MoKα","","","0.0644","","","0.0683","","","","","1.06","1.06","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323579","20.801","0.004","19.937","0.004","25.48","0.005","90","","90","","90","","10567","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36.44 H56.6 Bi3 Cl8 Fe N3 O3.86 -","- C36.48 H56.7 Bi3 Cl8 Fe N3 O3.87 -","- C291.84 H453.6 Bi24 Cl64 Fe8 N24 O30.96 -","8","1","","Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire","Halide Ion Addition to Bismuth-Containing Iron Carbonyl Compounds: Synthesis and Characterization of the Two Bridged-Butterfly Cluster Compounds [Et4N][(μ-H)Fe2(CO)6Bi2{μ-Fe(CO)4}] and [{PhCH2NMe3}{(μ-H)Fe2(CO)6Bi2(μ-Cl)2}]∞and Stabilization of Reduced-Hypervalent Bismuth Centers by Coordination to a Metal Center in [PhCH2NMe3]3[Bi3Cl4(μ-Cl)4{Fe(CO)3}]","Inorganic Chemistry","1997","36","","4387","4396","10.1021/ic9609721","","","0.7107","MoKα","","0.1979","0.0691","","0.1894","0.1417","","","","1.022","1.157","1.157","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323603","13.211","0.003","25.387","0.003","10.939","0.003","90","","90","","90","","3668.8","1.4","20","","20","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 Cl Cu N7 O4 -","- C14 H20 Cl Cu N7 O4 -","- C112 H160 Cl8 Cu8 N56 O32 -","8","1","","Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto","Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds","Inorganic Chemistry","1997","36","","4329","4335","10.1021/ic970425v","","","0.7107","MoKalpha","","","0.049","","","0.038","","","","","3.3","3.3","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323604","16.554","0.004","20.609","0.004","12.423","0.003","90","","90","","90","","4238.2","1.7","20","","20","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl Cu N7 O4 -","- C16 H24 Cl Cu N7 O4 -","- C128 H192 Cl8 Cu8 N56 O32 -","8","1","","Hitoshi Miyasaka; Shingo Okamura; Toshio Nakashima; Naohide Matsumoto","Copper(II) Complexes of N,N'-Bis((2-substituted-imidazol-4-yl)methylene)-3,3'-diaminodi- propylamine (2-Substituent = H, Me): Δ and Λ Enantiomorphs of the Protonated Complex and Helical Structure of the Deprotonated Complex Formed by Hydrogen Bonds","Inorganic Chemistry","1997","36","","4329","4335","10.1021/ic970425v","","","0.7107","MoKalpha","","","0.039","","","0.03","","","","","2.62","2.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323672","14.932","0.003","15.058","0.005","28.22","0.01","90","","90","","90","","6345","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H48 B2 Co F8 N8 O3 -","- C21 H48 B2 Co F8 N8 O3 -","- C168 H384 B16 Co8 F64 N64 O24 -","8","1","","Myunghyun Paik Suh; Jaeho Lee; Mi Young Han; Tea Sung Yoon","Template Synthesis, Properties, and Crystal Structure of a trigonal Bipyramidal Cobalt(II) Octaazamacrobicyclic Complex","Inorganic Chemistry","1997","36","","5651","5654","10.1021/ic970020a","","","0.71073","MoKα","","0.1699","0.0996","","0.3346","0.256","","","","1.08","1.127","1.127","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323708","9.439","0.002","20.388","0.004","28.308","0.006","90","","90","","90","","5448","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","F-[3.1.1]-cryptand x NaCF3SO3","","- C25 H30 F5 N2 Na O6 S -","- C25 H30 F5 N2 Na O6 S -","- C200 H240 F40 N16 Na8 O48 S8 -","8","1","","Herbert Plenio; Jörg Hermann; Ralph Diodone","The Coordination Chemistry of Fluorocarbons: Difluoro-m-cyclophane-Based Fluorocryptands and Their Group I and II Metal Ion Complexes","Inorganic Chemistry","1997","36","","5722","5729","10.1021/ic9708069","","","0.71069","MoKα","","0.1291","0.0845","","0.3055","0.2428","","","","1.103","1.18","1.18","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323720","11.0366","0.0009","12.2986","0.0006","13.9949","0.0007","90","","90","","90","","1899.6","0.2","293","2","293","2","","","","","","","CH2Cl2","4","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl N3 -","- C6 H16 Cl N3 -","- C48 H128 Cl8 N24 -","8","1","","Randolf D. Köhn; Matthias Haufe; Gabriele Kociok-Köhn; Alexander C. Filippou","The Chemistry of 1,3,5-Triazacyclohexane Complexes. 6.1Synthesis and Characterization of the Cobalt(II) Methoxide Core {Co3(OMe)4}2+","Inorganic Chemistry","1997","36","","6064","6069","10.1021/ic9704593","","","0.71073","MoKα","","0.0868","0.0463","","0.16","0.1179","","","","1.057","1.162","1.162","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4323795","9.216","0.003","14.634","0.001","15.87","0.001","90","","90","","90","","2140.3","0.7","294.2","","294.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl2 Ni O8 P4 -","- C12 H32 Cl2 Ni O8 P4 -","- C48 H128 Cl8 Ni4 O32 P16 -","4","0.5","","Gregory F. Nieckarz; T. J. R. Weakley; Warren K. Miller; Brian E. Miller; David K. Lyon; David R. Tyler","Generation of 19-Electron Adducts in Aqueous Solution Using the Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand","Inorganic Chemistry","1996","35","","1721","1724","10.1021/ic951071f","","","0.7107","MoKalpha","","","0.0417","","","0.0351","","","","","1.218","1.218","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323867","16.83","0.002","20.31","0.004","16.751","0.002","90","","90","","90","","5725.8","1.5","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","Di[(μ-acetato)chloro(μ-bis(diphenylphosphino)amine)molybdenum(III)]","","- C56 H60 Cl2 Mo2 N2 O6 P4 -","- C56 H48 Cl2 Mo2 N2 O6 P4 -","- C224 H192 Cl8 Mo8 N8 O24 P16 -","4","0.5","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[(μ-acetato)halo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","4733","4737","10.1021/ic9514758","","","1.54184","CuKα","","0.1076","0.0561","","0.1641","0.14","","","","1.052","1.139","1.139","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4324009","14.325","0.002","13.919","0.002","18.837","0.002","90","","90","","90","","3755.9","0.9","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br2 Cu N4 O2 -","- C17 H18 Br2 Cu N4 O2 -","- C136 H144 Br16 Cu8 N32 O16 -","8","1","","Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart","A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity","Inorganic Chemistry","1996","35","","7563","7571","10.1021/ic960777m","","","0.71073","MoKα","","0.0652","0.0402","","0.0933","0.0817","","","","1.045","1.075","1.075","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324012","7.811","0.006","34.67","0.03","7.481","0.006","90","","90","","90","","2026","3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl2 Mn O8 -","- C18 H20 Cl2 Mn O8 -","- C72 H80 Cl8 Mn4 O32 -","4","0.5","","Vasilis Tangoulis; George Psomas; Catherine Dendrinou-Samara; Catherine P. Raptopoulou; Aris Terzis; Dimitris P. Kessissoglou","A Two-Dimensional Manganese(II) Carboxylato Polymer. Structure, Magnetism, and EPR Study","Inorganic Chemistry","1996","35","","7655","7660","10.1021/ic9608051","","","0.71073","MoKα","","0.0729","0.0409","","0.1114","0.091","","","","1.098","1.127","1.127","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324083","8.0512","0.0007","18.0246","0.0014","38.492","0.003","90","","90","","90","","5585.9","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H38 B Fe N O2 Si2 -","- C26 H38 B Fe N O2 Si2 -","- C208 H304 B8 Fe8 N8 O16 Si16 -","8","1","","Holger Braunschweig; Qing Ye; Krzysztof Radacki; Peter Brenner; Gernot Frenking; Susmita De","Borylene-Based Functionalization of Iron-Alkynyl-σ-Complexes and Stepwise Reversible Metal-Boryl-to-Borirene Transformation: Synthesis, Characterization, and Density Functional Theory Studies","Inorganic Chemistry","2011","50","","62","71","10.1021/ic1010874","","","0.71073","MoKα","","0.0478","0.0359","","","0.0802","0.0857","","","","","","1.237","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324154","16.1251","0.0009","18.3539","0.001","27.7447","0.0016","90","","90","","90","","8211.3","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H64 Ga8 N8 O4 -","- C24 H64 Ga8 N8 O4 -","- C192 H512 Ga64 N64 O32 -","8","1","","Werner Uhl; Thomas Abel; Elke Hagemeier; Alexander Hepp; Marcus Layh; Babak Rezaeirad; Heinrich Luftmann","Oligonuclear Gallium Nitrogen Cage Compounds: Molecular Intermediates on the Way from Gallium Hydrazides to Gallium Nitride","Inorganic Chemistry","2011","50","","325","335","10.1021/ic1019839","","","0.71073","MoKα","","0.033","0.0238","","","0.0564","0.0603","","","","","","1.022","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324162","12.194","0.009","18.331","0.013","19.774","0.014","90","","90","","90","","4420","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 B F10 P -","- C20 H18 B F10 P -","- C160 H144 B8 F80 P8 -","8","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2","Inorganic Chemistry","2011","50","","336","344","10.1021/ic102003x","","","0.71073","MoKα","","0.0821","0.0553","","","0.1494","0.1889","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324168","8.378","0.0005","22.2086","0.0015","29.1454","0.0018","90","","90","","90","","5422.9","0.6","453","2","453","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ce Si3 -","- C24 H39 Ce Si3 -","- C192 H312 Ce8 Si24 -","8","1","","Jamin L. Krinsky; Stefan G. Minasian; John Arnold","Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe3)3Ce-ECp* and a Comprehensive Density Functional Theory Analysis of Cp3Ln-ECp (E = Al, Ga)","Inorganic Chemistry","2011","50","","345","357","10.1021/ic102028d","","","0.71073","MoKα","","0.06","0.0327","","","0.0654","0.0737","","","","","","1.119","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324215","14.639","0.003","20.439","0.004","37.011","0.007","90","","90","","90","","11074","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Hg N3 O6.5 S2 -","- C23 H38 Hg N3 O6.5 S2 -","- C368 H608 Hg16 N48 O104 S32 -","16","2","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.71073","MoKα","","0.0924","0.0742","","","0.1649","0.1758","","","","","","1.09","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324223","17.336","0.002","10.1793","0.0012","18.672","0.002","90","","90","","90","","3295","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Hg N O4 S -","- C15 H21 Hg N O4 S -","- C120 H168 Hg8 N8 O32 S8 -","8","1","","Xiao-Yan Tang; Ai-Xia Zheng; Hai Shang; Rong-Xin Yuan; Hong-Xi Li; Zhi-Gang Ren; Jian-Ping Lang","Binding of a Coordinatively Unsaturated Mercury(II) Thiolate Compound by Carboxylate Anions","Inorganic Chemistry","2011","50","","503","516","10.1021/ic101587h","","","0.7107","MoKα","","0.0425","0.0387","","","0.0664","0.0677","","","","","","1.12","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324364","14.4471","0.001","13.9583","0.0011","16.5272","0.0013","90","","90","","90","","3332.8","0.4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Ag Cl N3 O4 -","- C16 H11 Ag Cl N3 O4 -","- C128 H88 Ag8 Cl8 N24 O32 -","8","1","","Kelly J. Kilpin; Martin L. Gower; Shane G. Telfer; Geoffrey B. Jameson; James D. Crowley","Toward the Self-Assembly of Metal-Organic Nanotubes Using Metal-Metal and π-Stacking Interactions: Bis(pyridylethynyl) Silver(I) Metallo-macrocycles and Coordination Polymers","Inorganic Chemistry","2011","50","","1123","1134","10.1021/ic1020059","","","0.71073","MoKα","","0.038","0.0254","","","0.058","0.0622","","","","","","1.047","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324367","17.067","0.003","18.815","0.003","23.195","0.004","90","","90","","90","","7448","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiHCl(IMes)2","","","- C42 H49 Cl N4 Ni -","- C42 H49 Cl N4 Ni -","- C336 H392 Cl8 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","0.71073","MoKα","","0.0999","0.0581","","","0.1405","0.1664","","","","","","1.023","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324368","17.0558","0.001","18.7976","0.0012","23.1314","0.0014","90","","90","","90","","7416.1","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl(IMes)2","","","- C42 H48 Cl N4 Ni -","- C42 H48 Cl N4 Ni -","- C336 H384 Cl8 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","1.54178","CuKα","","0.0946","0.0687","","","0.2114","0.2711","","","","","","1.125","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324369","17.1678","0.0011","18.7108","0.0012","23.317","0.0015","90","","90","","90","","7490","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiHBr(IMes)2","","","- C42 H48.96 Br1.04 N4 Ni -","- C42 H48.9598 Br1.0402 N4 Ni -","- C336 H391.678 Br8.3216 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","0.71073","MoKα","","0.0703","0.0437","","","0.1092","0.1253","","","","","","1.048","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324370","17.2448","0.0016","18.7973","0.0018","23.302","0.002","90","","90","","90","","7553.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Br N4 Ni -","- C42 H48 Br N4 Ni -","- C336 H384 Br8 N32 Ni8 -","8","1","","Chang Hoon Lee; Timothy R. Cook; Daniel G. Nocera","HX Addition and Photochemical H2 Elimination by Ni NHC Complexes","Inorganic Chemistry","2011","50","","714","716","10.1021/ic102017t","","","0.71073","MoKα","","0.0487","0.0351","","","0.0869","0.0948","","","","","","1.036","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324389","11.5585","0.0004","9.2","0.0003","35.814","0.0014","90","","90","","90","","3808.4","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 N6 O3 Re -","- C20 H13 N6 O3 Re -","- C160 H104 N48 O24 Re8 -","8","1","","Melissa V. Werrett; Daniel Chartrand; Julian D. Gale; Garry S. Hanan; Jonathan G. MacLellan; Massimiliano Massi; Sara Muzzioli; Paolo Raiteri; Brian W. Skelton; Morry Silberstein; Stefano Stagni","Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes.","Inorganic Chemistry","2011","50","","1229","1241","10.1021/ic1015516","","","0.71073","MoKα","","0.175","0.0656","","","0.121","0.1593","","","","","","0.998","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324430","14.1323","0.0002","14.2531","0.0002","19.8957","0.0003","90","","90","","90","","4007.57","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl4 P Pt Se -","- C16 H19 Cl4 P Pt Se -","- C128 H152 Cl32 P8 Pt8 Se8 -","8","1","","Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin","Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands","Inorganic Chemistry","2011","50","","1411","1419","10.1021/ic101973s","","","0.71073","MoKα","","0.0439","0.0379","","","0.0993","0.1026","","","","","","1.078","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324436","20.5332","0.001","18.2249","0.0009","24.15","0.0012","90","","90","","90","","9037.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","copperphosphonate","","","- C43 H52 Cu4 N4 O12 P -","- C43 H52 Cu4 N4 O12 P -","- C344 H416 Cu32 N32 O96 P8 -","8","1","","Vadapalli Chandrasekhar; Tapas Senapati; Atanu Dey; E. Carolina Sañudo","Rational Assembly of Soluble Copper(II) Phosphonates: Synthesis, Structure and Magnetism of Molecular Tetranuclear Copper(II) Phosphonates","Inorganic Chemistry","2011","50","","1420","1428","10.1021/ic101982c","","","0.71073","MoKα","","0.0819","0.0564","","","0.1306","0.1432","","","","","","1.035","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324452","11.018","0.002","12.824","0.002","23.756","0.004","90","","90","","90","","3356.6","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 B Cl2 P -","- C15 H24 B Cl2 P -","- C120 H192 B8 Cl16 P8 -","8","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0551","0.0353","","","0.106","0.1228","","","","","","0.839","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324454","10.0869","0.0006","16.8594","0.001","24.3705","0.0015","90","","90","","90","","4144.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 B P -","- C23 H38 B P -","- C184 H304 B8 P8 -","8","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0654","0.0521","","","0.1615","0.1738","","","","","","1.29","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324457","20.685","0.0006","14.1854","0.0004","23.3812","0.0008","90","","90","","90","","6860.6","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 B Cl2 N -","- C10 H14 B Cl2 N -","- C240 H336 B24 Cl48 N24 -","24","3","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0523","0.0373","","","0.0908","0.099","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4324483","13.5512","0.0003","13.6051","0.0002","15.1648","0.0003","90","","90","","90","","2795.86","0.09","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N2 O5 Re -","- C11 H11 N2 O5 Re -","- C88 H88 N16 O40 Re8 -","8","1","","Marina Sagnou; Dimitra Benaki; Charalampos Triantis; Theodoros Tsotakos; Vassilis Psycharis; Catherine P. Raptopoulou; Ioannis Pirmettis; Minas Papadopoulos; Maria Pelecanou","Curcumin as the OO Bidentate Ligand in ""2 + 1"" Complexes with the [M(CO)3]+ (M = Re,99mTc) Tricarbonyl Core for Radiodiagnostic Applications","Inorganic Chemistry","2011","50","","1295","1303","10.1021/ic102228u","","","0.71073","MoKα","","0.0316","0.027","","","0.0644","0.0662","","","","","","1.083","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4324550","6.6391","0.0002","12.1471","0.0003","42.8135","0.0012","90","","90","","90","","3452.73","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O14 Th -","- C12 H18 N2 O14 Th -","- C96 H144 N16 O112 Th8 -","8","1","","Pierre Thuéry","Solid State Structure of Thorium(IV) Complexes with Common Aminopolycarboxylate Ligands","Inorganic Chemistry","2011","50","","1898","1904","10.1021/ic102359q","","","0.71073","MoKα","","0.0203","0.0166","","","0.033","0.0338","","","","","","1.137","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324580","19.126","0.004","19.592","0.004","24.351","0.005","90","","90","","90","","9125","3","301","2","301","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47 F3 N4 O3 Pt S -","- C48 H47 F3 N4 O3 Pt S -","- C384 H376 F24 N32 O24 Pt8 S8 -","8","1","","Zuofeng Chen; Keith Man-Chung Wong; Eric Chi-Ho Kwok; Nianyong Zhu; Yanbing Zu; Vivian Wing-Wah Yam","Electrogenerated Chemiluminescence of Platinum(II) Alkynyl Terpyridine Complex with Peroxydisulfate as Coreactant","Inorganic Chemistry","2011","50","","2125","2132","10.1021/ic101119q","","","0.71073","MoKα","","0.0537","0.033","","","0.0646","0.076","","","","","","1.124","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324587","8.1298","0.0008","16.1312","0.0015","16.7808","0.0016","90","","90","","90","","2200.7","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H15 Co N O8 -","- C6 H15 Co N O8 -","- C48 H120 Co8 N8 O64 -","8","1","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.7749","synchrotron","","0.0298","0.0262","","","0.072","0.077","","","","","","0.632","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324588","8.27","0.0007","16.2939","0.0014","17.0155","0.0015","90","","90","","90","","2292.8","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H15 Mn N O8 -","- C6 H15 Mn N O8 -","- C48 H120 Mn8 N8 O64 -","8","1","","Paul J. Calderone; Paul M. Forster; Lauren A. Borkowski; Simon J. Teat; Mikhail Feygenson; Meigan C. Aronson; John B. Parise","Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks","Inorganic Chemistry","2011","50","","2159","2167","10.1021/ic1015548","","","0.7749","synchrotron","","0.0303","0.0263","","","0.0715","0.0757","","","","","","0.731","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324646","18.8734","0.0015","18.095","0.0015","30.283","0.003","90","","90","","90","","10342.1","1.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H49 B2 F20 P Ru -","- C52 H49 B2 F20 P Ru -","- C416 H392 B16 F160 P8 Ru8 -","8","1","","Kevin D. Hesp; Felix O. Kannemann; Matthew A. Rankin; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Probing Mesitylborane and Mesitylborate Ligation Within the Coordination Sphere of Cp*Ru(PiPr3)+: A Combined Synthetic, X-ray Crystallographic, and Computational Study","Inorganic Chemistry","2011","50","","2431","2444","10.1021/ic1022328","","","0.71073","MoKα","","0.0509","0.0342","","","0.0804","0.09","","","","","","1.047","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324674","25.253","0.006","11.484","0.003","30.963","0.007","90","","90","","90","","8979","4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","complex4","","","- C44 H54 B F4 N4 O P2 Rh -","- C44 H54 B F4 N4 O P2 Rh -","- C352 H432 B8 F32 N32 O8 P16 Rh8 -","8","1","","Keying Ding; Deanna L. Miller; Victor G. Young; Connie C. Lu","Study of the Conformationally Flexible, Wide Bite-Angle Diphosphine 4,6-Bis(3-diisopropylphosphinophenyl)dibenzofuran in Rhodium(I) and Palladium(II) Coordination Complexes","Inorganic Chemistry","2011","50","","2545","2552","10.1021/ic102373w","","","0.71073","MoKα","","0.0715","0.0537","","","0.1669","0.1764","","","","","","1.296","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324753","19.839","0.003","20.128","0.003","22.311","0.003","90","","90","","90","","8909","2","183.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Cu2 Mo2 O S12 -","- C40 H34 Cu2 Mo2 O S12 -","- C320 H272 Cu16 Mo16 O8 S96 -","8","1","","Takeshi Matsumoto; Ho-Chol Chang; Atsushi Kobayashi; Kohei Uosaki; Masako Kato","Metal-Dependent and Redox-Selective Coordination Behaviors of Metalloligand [MoV(1,2-benzenedithiolato)3]-with CuI/AgI Ions","Inorganic Chemistry","2011","50","","2859","2869","10.1021/ic102070c","","","0.71075","MoK?","","","0.0543","","","","0.1445","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324803","8.177","0.005","6.835","0.005","11.13","0.005","90","0.005","90","0.005","90","0.005","622.1","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1'-azobistetrazole","","","- C H N5 -","- C H N5 -","- C8 H8 N40 -","8","1","","Thomas M. Klapötke; Davin G. Piercey","1,1'-Azobis(tetrazole): A Highly Energetic Nitrogen-Rich Compound with a N10 Chain","Inorganic Chemistry","2011","50","","2732","2734","10.1021/ic200071q","","","0.71073","MoKα","","0.0701","0.047","","","0.1259","0.1362","","","","","","1.072","","","","has coordinates","179351","2020-10-21","18:00:00",""
"4324975","29.7419","0.0004","13.3262","0.0002","41.233","0.0005","90","","90","","90","","16342.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H20 F64 N8 O5 V -","- C65 H20 F64 N8 O5 V -","- C520 H160 F512 N64 O40 V8 -","8","1","","Łukasz Łapok; Martin Lener; Olga Tsaryova; Stefanie Nagel; Christopher Keil; Robert Gerdes; Derck Schlettwein; Sergiu M. Gorun","Structures and Redox Characteristics of Electron-Deficient Vanadyl Phthalocyanines","Inorganic Chemistry","2011","50","","4086","4091","10.1021/ic2000365","","","1.54178","CuKα","","0.0805","0.0642","","","0.1533","0.1653","","","","","","1.021","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4325016","10.1943","0.0013","16.673","0.002","32.4719","0.0012","90","","90","","90","","5519.2","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B9 Co O6 S2 -","- C19 H34 B9 Co O6 S2 -","- C152 H272 B72 Co8 O48 S16 -","8","1","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0926","0.0614","","","0.1421","0.1511","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4325018","16.058","0.0017","13.4281","0.0015","33.516","0.004","90","","90","","90","","7227","1.4","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H82 B20 Cl2 Co2 O17 S4 -","- C47 H82 B20 Cl2 Co2 O17 S4 -","- C188 H328 B80 Cl8 Co8 O68 S16 -","4","0.5","","Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan","Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate","Inorganic Chemistry","2011","50","","4187","4194","10.1021/ic200333q","","","0.71073","MoKα","","0.0915","0.0583","","","0.13","0.1379","","","","","","1.035","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325053","9.4523","0.0006","9.6626","0.0005","25.5013","0.0015","90","","90","","90","","2329.1","0.2","150","2","150","2","","","","","","","Ross Forgan","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.1178","0.0763","","","0.1907","0.2149","","","","","","1.029","","","","has coordinates,has disorder","179353","2020-10-21","18:00:00",""
"4325103","17.1142","0.0011","17.2768","0.0011","32.582","0.002","90","","90","","90","","9633.8","1.1","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 Ce N4 -","- C20 H20 Br3 Ce N4 -","- C320 H320 Br48 Ce16 N64 -","16","2","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0628","0.033","","","0.0653","0.0762","","","","","","0.959","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325180","15.028","0.004","14.959","0.004","20.254","0.006","90","","90","","90","","4553","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Uranyl Cerium bimetallic 1,2-Phenyldiphosphonate","","","- C12 H10 Ce O16 P4 U -","- C12 H10 Ce O16 P4 U -","- C96 H80 Ce8 O128 P32 U8 -","8","1","","Juan Diwu; Shuao Wang; Justin J. Good; Victoria H. DiStefano; Thomas E. Albrecht-Schmitt","Deviation Between the Chemistry of Ce(IV) and Pu(IV) and Routes to Ordered and Disordered Heterobimetallic 4f/5f and 5f/5f Phosphonates","Inorganic Chemistry","2011","50","","4842","4850","10.1021/ic200006m","","","0.71073","MoKα","","0.067","0.0377","","","0.0713","0.0809","","","","","","1.007","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325224","19.6467","0.0013","17.4396","0.0012","22.7491","0.0016","90","","90","","90","","7794.5","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H38 Cu3 F36 N6 O14 -","- C58 H38 Cu3 F36 N6 O14 -","- C232 H152 Cu12 F144 N24 O56 -","4","0.5","","Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti","Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand","Inorganic Chemistry","2011","50","","5060","5074","10.1021/ic200362c","","","0.71073","MoKα","","0.1314","0.0718","","","0.1972","0.2465","","","","","","1.021","","","","has coordinates,has disorder","179355","2020-10-21","18:00:00",""
"4325232","17.9687","0.0008","17.0664","0.0008","21.9546","0.001","90","","90","","90","","6732.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Ir N3 O3 P S -","- C37 H37 Ir N3 O3 P S -","- C296 H296 Ir8 N24 O24 P8 S8 -","8","1","","Yao-Yuan Chang; Jui-Yi Hung; Yun Chi; Jong-Pyng Chyn; Min-Wen Chung; Chia-Li Lin; Pi-Tai Chou; Gene-Hsiang Lee; Chih-Hao Chang; Wei-Chieh Lin","Emissive Iridium(III) Diimine Complexes Formed by Double Cyclometalation of Coordinated Triphenylphosphite","Inorganic Chemistry","2011","50","","5075","5084","10.1021/ic2003723","","","0.71073","MoKα","","0.051","0.0344","","","0.0618","0.0666","","","","","","1.06","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325236","6.0268","0.0003","11.3635","0.0006","19.3485","0.001","90","","90","","90","","1325.09","0.12","293","2","293","2","101","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B3 Bi2 H O8 -","- B3 Bi2 H O8 -","- B24 Bi16 H8 O64 -","8","1","","Rihong Cong; Junliang Sun; Tao Yang; Mingrun Li; Fuhui Liao; Yingxia Wang; Jianhua Lin","Syntheses and Crystal Structures of Two New Bismuth Hydroxyl Borates Containing [Bi2O2]2+ Layers: Bi2O2[B3O5(OH)] and Bi2O2[BO2(OH)]","Inorganic Chemistry","2011","50","","5098","5104","10.1021/ic200382b","","","0.71073","MoKα","","0.0533","0.0393","","","0.0906","0.097","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325299","8.8541","0.0001","13.8896","0.0001","29.3729","0.0002","90","","90","","90","","3612.28","0.05","293","2","293","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","","","","- C19 H23 Cl N2 O Ru -","- C19 H23 Cl N2 O Ru -","- C152 H184 Cl8 N16 O8 Ru8 -","8","1","","Josefina Díez; José Gimeno; Isabel Merino; Eduardo Rubio; Francisco J. Suárez","Synthesis and Structure of Ruthenium(IV) Complexes Featuring N-Heterocyclic Ligands with an N-H Group as the Hydrogen-Bond Donor: Hydrogen Interactions in Solution and in the Solid State","Inorganic Chemistry","2011","50","","4868","4881","10.1021/ic200547k","","","1.54184","CuKα","","0.0255","0.0235","","","0.0613","0.0629","","","","","","1.057","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325378","17.169","0.0002","13.304","0.0001","18.4488","0.0001","90","","90","","90","","4214.01","0.06","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(phenylethynyl)(4a,10b-dihydrobenzo[h]quinolin-10-yl)gold(III)","","- C29 H18 Au n -","- C29 H18 Au N -","- C232 H144 Au8 N8 -","8","1","","Jai Anand Garg; Olivier Blacque; Koushik Venkatesan","Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes","Inorganic Chemistry","2011","50","","5430","5441","10.1021/ic102216v","","","0.71073","MoKα","","0.0463","0.0236","","","0.0477","0.05","","","","","","0.921","","","","has coordinates","179356","2020-10-21","18:00:00",""
"4325418","13.0218","0.0006","9.6216","0.0005","25.4583","0.0012","90","","90","","90","","3189.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Cu O2 n5 -","- C15 H21 Cu N5 O2 -","- C120 H168 Cu8 N40 O16 -","8","1","","Sujit Sasmal; Sohini Sarkar; Núria Aliaga-Alcalde; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Three One-Dimensional End-to-End Azide/Cyanate-Bridged Copper(II) Compounds Exhibiting Ferromagnetic Interaction: new Type of Solid State Isomerism","Inorganic Chemistry","2011","50","","5687","5695","10.1021/ic200462g","","","0.71073","MoKα","","0.0423","0.0292","","","0.0936","0.1129","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325486","17.9903","0.0003","18.387","0.0002","18.3964","0.0003","90","","90","","90","","6085.3","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H84 Cl2 Co N20 O8 -","- C54 H84 Cl2 Co N20 O8 -","- C216 H336 Cl8 Co4 N80 O32 -","4","0.5","","David Schweinfurth; Fritz Weisser; Denis Bubrin; Lapo Bogani; Biprajit Sarkar","Cobalt Complexes with ""Click""-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence","Inorganic Chemistry","2011","50","","6114","6121","10.1021/ic200246v","","","0.71073","MoKα","","0.073","0.0503","","","0.1055","0.1153","","","","","","1.079","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325491","14.461","0.003","18.341","0.003","27.896","0.005","90","","90","","90","","7399","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H49 Fe N3 O2 -","- C39 H49 Fe N3 O2 -","- C312 H392 Fe8 N24 O16 -","8","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez","Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles","Inorganic Chemistry","2011","50","","6174","6182","10.1021/ic200423m","","","0.71073","MoKα","","0.1347","0.0638","","","0.1207","0.1477","","","","","","1.012","","","","has coordinates","179357","2020-10-21","18:00:00",""
"4325512","18.4138","0.0005","19.6726","0.0003","35.2354","0.0008","90","","90","","90","","12763.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H53 N14 Nd2 Ni2 O27.5 -","- C46 H49 N14 Nd2 Ni2 O27.5 -","- C368 H392 N112 Nd16 Ni16 O220 -","8","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0945","0.0655","","","0.1605","0.1854","","","","","","1.047","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325526","15.2679","0.0013","16.2173","0.0013","28.031","0.002","90","","90","","90","","6940.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C21 H40 B Fe3 I Mo N6 P2 S4 -","- C21 H40 B Fe3 I Mo N6 P2 S4 -","- C168 H320 B8 Fe24 I8 Mo8 N48 P16 S32 -","8","1","","Bin Xi; R. H. Holm","The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State","Inorganic Chemistry","2011","50","","6280","6288","10.1021/ic200641k","","","0.71073","MoKα","","0.0489","0.0318","","","0.066","0.0728","","","","","","1.023","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325566","23.667","0.005","36.452","0.008","25.393","0.005","90","","90","","90","","21907","8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C77 H89 F21 Lu N21 O28 Pt2 S7 -","- C77 H83 F21 Lu N21 O28 Pt2 S7 -","- C616 H664 F168 Lu8 N168 O224 Pt16 S56 -","8","1","","Satoshi Shinoda; Akihiko Mizote; Miyuki Eiraku Masaki; Minoru Yoneda; Hiroyuki Miyake; Hiroshi Tsukube","Mixed-Metal Complexes Incorporating Platinum and Lanthanide Centers for Selective Binding and Chirality Sensing of Succinates","Inorganic Chemistry","2011","50","","5876","5878","10.1021/ic200853u","","","0.7107","MoKα","","0.0823","0.0735","","","0.1372","0.1407","","","","","","1.191","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325734","15.9968","0.0007","17.4056","0.0007","22.3356","0.001","90","","90","","90","","6219","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Cu N4 O0 P -","- C34 H38 Cu N4 P -","- C272 H304 Cu8 N32 P8 -","8","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1234","0.0472","","","0.0612","0.0714","","","","","","0.802","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325737","14.2716","0.0006","17.6685","0.0009","35.8182","0.0016","90","","90","","90","","9031.8","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H50 Cu N4 P2 S2 -","- C52 H50 Cu N4 P2 S2 -","- C416 H400 Cu8 N32 P16 S16 -","8","1","","Gengwen Tan; Hongping Zhu","Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper","Inorganic Chemistry","2011","50","","6979","6986","10.1021/ic200008z","","","0.71073","MoKα","","0.1181","0.0933","","","0.2131","0.2262","","","","","","1.177","","","","has coordinates,has disorder","179360","2020-10-21","18:00:00",""
"4325794","9.3869","0.0009","18.1191","0.0017","21.187","0.002","90","","90","","90","","3603.5","0.6","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","eismc09","","","- C11 H10 N2 -","- C11 H10 N2 -","- C176 H160 N32 -","16","2","","Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg","Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes","Inorganic Chemistry","2011","50","","7172","7188","10.1021/ic2007588","","","0.71073","MoKα","","0.0808","0.0502","","","0.1293","0.1499","","","","","","1.042","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325813","12.0237","0.0004","20.8688","0.0006","29.581","0.0009","90","","90","","90","","7422.5","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H50 N10 Ni2 O6 -","- C32 H50 N10 Ni2 O6 -","- C256 H400 N80 Ni16 O48 -","8","1","","Sujit Sasmal; Susanta Hazra; Parimal Kundu; Supriya Dutta; Gopalan Rajaraman; E. Carolina Sañudo; Sasankasekhar Mohanta","Magnetic Exchange Interactions and Magneto-Structural Correlations in Heterobridged μ-Phenoxo-μ1,1-Azide Dinickel(II) Compounds: A Combined Experimental and Theoretical Exploration","Inorganic Chemistry","2011","50","","7257","7267","10.1021/ic200833y","","","0.71073","MoKα","","0.0555","0.0333","","","0.0942","0.114","","","","","","0.812","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325862","17.3516","0.0007","14.5574","0.0006","22.5361","0.0009","90","","90","","90","","5692.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu2 N4 O11 -","- C24 H22 Cl2 Cu2 N4 O11 -","- C192 H176 Cl16 Cu16 N32 O88 -","8","1","","Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta","Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity","Inorganic Chemistry","2011","50","","7540","7554","10.1021/ic200409d","","","0.71073","MoKα","","0.0856","0.0635","","","0.1274","0.138","","","","","","1.113","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325870","17.2584","0.0009","14.1124","0.0007","28.7848","0.0014","90","","90","","90","","7010.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H39 B9 Cl3 P2 Ru -","- C31 H39 B9 Cl3 P2 Ru -","- C248 H312 B72 Cl24 P16 Ru8 -","8","1","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0526","0.0383","","","0.0925","0.1022","","","","","","1.04","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325872","17.994","0.0011","18.5256","0.0011","36.676","0.002","90","","90","","90","","12225.9","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H35 B9 Cl P2 Ru -","- C30 H35 B9 Cl P2 Ru -","- C480 H560 B144 Cl16 P32 Ru16 -","16","2","","Ivan D. Grishin; Dmitrii I. D'yachihin; Alexander V. Piskunov; Fedor M. Dolgushin; Alexander F. Smol'yakov; Mikhail M. Il'in; Vadim A. Davankov; Igor T. Chizhevsky; Dmitry F. Grishin","Carborane Complexes of Ruthenium(III): Studies on Thermal Reaction Chemistry and the Catalyst Design for Atom Transfer Radical Polymerization of Methyl Methacrylate","Inorganic Chemistry","2011","50","","7574","7585","10.1021/ic200487w","","","0.71073","MoKα","","0.0874","0.0447","","","0.086","0.0998","","","","","","1.023","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325926","19.3174","0.0003","24.2509","0.0004","26.8237","0.0001","90","","90","","90","","12565.9","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H41 Cr Mn3 O14 P2 Se2 -","- C62 H41 Cr Mn3 O14 P2 Se2 -","- C496 H328 Cr8 Mn24 O112 P16 Se16 -","8","1","","Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen","Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies","Inorganic Chemistry","2011","50","","7735","7748","10.1021/ic200885h","","","0.71073","MoKα","","0.1178","0.0554","","","0.0807","0.0989","","","","","","1.086","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325950","40.13","0.008","18.8","0.004","19.107","0.004","90","","90","","90","","14415","5","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H106 Al N4 O3 Si Sm -","- C78 H106 Al N4 O3 Si Sm -","- C624 H848 Al8 N32 O24 Si8 Sm8 -","8","1","","Jingjun Hao; Jianfeng Li; Chunming Cui; Herbert W. Roesky","Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum-Rare Earth Metal Complexes","Inorganic Chemistry","2011","50","","7453","7459","10.1021/ic2010584","","","0.71073","MoKα","","0.1019","0.0652","","","0.1517","0.1695","","","","","","1.034","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326125","15.4231","0.0003","18.8135","0.0004","23.9576","0.0005","90","","90","","90","","6951.6","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","co","","- C36 H44 Cl2 Co N2 O Si -","- C36 H44 Cl2 Co N2 O Si -","- C288 H352 Cl16 Co8 N16 O8 Si8 -","8","1","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Pröpper; Julian J. Holstein; Birger Dittrich; Herbert W. Roesky","N-Heterocyclic Carbene Stabilized Dichlorosilylene Transition-Metal Complexes of V(I), Co(I), and Fe(0)","Inorganic Chemistry","2011","50","","8502","8508","10.1021/ic201096c","","","1.54178","CuKα","","0.031","0.024","","","","0.027","","","","","","2.236","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326222","11.398","0.003","7.758","0.002","29.507","0.008","90","","90","","90","","2609.2","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cu2 N7 -","- C13 H9 Cu2 N7 -","- C104 H72 Cu16 N56 -","8","1","","Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jia Ni; Xiao-Chun Huang; Dan Li","From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers","Inorganic Chemistry","2011","50","","8879","8892","10.1021/ic200854s","","","0.71073","MoKα","","0.0983","0.0937","","","0.1732","0.1788","","","","","","1.4","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326388","15.8302","0.0017","18.477","0.002","20.372","0.002","90","","90","","90","","5958.7","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 Cl5 Li O5 U -","- C20 H40 Cl5 Li O5 U -","- C160 H320 Cl40 Li8 O40 U8 -","8","1","","Benedict M. Gardner; William Lewis; Alexander J. Blake; Stephen T. Liddle","Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of Triamidosilylamine Uranium Complexes","Inorganic Chemistry","2011","50","","9631","9641","10.1021/ic201372a","","","0.71073","MoKα","","0.029","0.0214","","","0.0514","0.0552","","","","","","1.047","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326420","11.7382","0.0007","20.1542","0.0013","28.6343","0.0019","90","","90","","90","","6774.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H40 Al Li N4 O2 -","- C38 H40 Al Li N4 O2 -","- C304 H320 Al8 Li8 N32 O16 -","8","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.1143","0.0554","","","0.116","0.1356","","","","","","1.004","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326421","19.9991","0.0006","17.6024","0.0005","22.648","0.0006","90","","90","","90","","7972.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H42 Al Li N6 O -","- C49 H42 Al Li N6 O -","- C392 H336 Al8 Li8 N48 O8 -","8","1","","Christopher J. Snyder; Mary Jane Heeg; Charles H. Winter","Poly(pyrazolyl)aluminate Complexes Containing Aluminum-Hydrogen Bonds","Inorganic Chemistry","2011","50","","9210","9212","10.1021/ic201541c","","","0.71073","MoKα","","0.118","0.0543","","","0.1065","0.1248","","","","","","1.01","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326529","9.2967","0.0003","17.1918","0.0007","33.2588","0.0012","90","","90","","90","","5315.7","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C18 H42 F3 N O4 P2 S Si -","- C18 H42 F3 N O4 P2 S Si -","- C144 H336 F24 N8 O32 P16 S8 Si8 -","8","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.1374","0.0693","","","0.1329","0.1603","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326531","13.8576","0.0012","13.446","0.0013","23.067","0.002","90","","90","","90","","4298.1","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F3 N O4 P2 S Si -","- C12 H30 F3 N O4 P2 S Si -","- C96 H240 F24 N8 O32 P16 S8 Si8 -","8","1","","Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners","Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations","Inorganic Chemistry","2011","50","","10292","10302","10.1021/ic201360p","","","0.71073","MoKα","","0.0325","0.0288","","","0.0777","0.0815","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4326570","27.6865","0.0009","17.4569","0.0006","29.128","0.001","90","","90","","90","","14078.2","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","MoI2(THF)(CO)2(CNArDipp2)2","","","- C68 H82 I2 Mo N2 O3 -","- C68 H82 I2 Mo N2 O3 -","- C544 H656 I16 Mo8 N16 O24 -","8","1","","Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes","Inorganic Chemistry","2011","50","","10448","10459","10.1021/ic2015868","","","1.54178","CuKα","","0.077","0.0569","","","0.15","0.1627","","","","","","1.054","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326629","29.3009","0.0017","11.32","0.0006","12.0634","0.0007","90","","90","","90","","4001.3","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl2 Mn N5 O2 -","- C19 H18 Cl2 Mn N5 O2 -","- C152 H144 Cl16 Mn8 N40 O16 -","8","1","","Jung Hee Yoon; Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Sung Won Yoon; Byoung Jin Suh; Hyoung Chan Kim; Chang Seop Hong","End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases","Inorganic Chemistry","2011","50","","10777","10785","10.1021/ic2013232","","","0.71073","MoKα","","0.1543","0.0541","","","0.1256","0.1915","","","","","","1.029","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326662","14.1668","0.0008","15.917","0.0008","23.6224","0.0013","90","","90","","90","","5326.7","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H54 B2 F8 Fe4 N6 S4 -","- C48 H54 B2 F8 Fe4 N6 S4 -","- C192 H216 B8 F32 Fe16 N24 S16 -","4","0.5","","Pei-Chin Lin; Hsing-Yin Chen; Po-Yu Chen; Ming-Hsi Chiang; Michael Y. Chiang; Ting-Shen Kuo; Sodio C. N. Hsu","Self-Assembly and Redox Modulation of the Cavity Size of an Unusual Rectangular Iron Thiolate Aryldiisocyanide Metallocyclophane","Inorganic Chemistry","2011","50","","10825","10834","10.1021/ic201380k","","","0.71073","MoKα","","0.0673","0.0507","","","0.1381","0.1496","","","","","","1.047","","","","has coordinates,has disorder","179369","2020-10-21","18:00:00",""
"4326733","7.1753","0.0007","15.0485","0.0012","41.898","0.004","90","","90","","90","","4524","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Ag N9 O3 P S -","- C16 H21 Ag N9 O3 P S -","- C128 H168 Ag8 N72 O24 P8 S8 -","8","1","","Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro","Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes","Inorganic Chemistry","2011","50","","11173","11183","10.1021/ic201714c","","","0.71073","MoKα","","0.0613","0.0519","","","0.1439","0.1502","","","","","","1.004","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326777","16.8467","0.0018","17.2248","0.0019","20.769","0.002","90","","90","","90","","6026.8","1.1","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H43 Mo N4 O2 P S3 -","- C24 H43 Mo N4 O2 P S3 -","- C192 H344 Mo8 N32 O16 P8 S24 -","8","1","","Amit Majumdar; R. H. Holm","Specific Incorporation of Chalcogenide Bridge Atoms in Molybdenum/Tungsten-Iron-Sulfur Single Cubane Clusters","Inorganic Chemistry","2011","50","","11242","11251","10.1021/ic2018117","","","0.71073","MoKα","","0.0831","0.0753","","","0.2177","0.2231","","","","","","1.091","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326881","21.15","0.005","10.823","0.003","22.675","0.006","90","","90","","90","","5190","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cu N5 O8 -","- C23 H25 Cu N5 O7 -","- C184 H200 Cu8 N40 O56 -","8","1","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.1085","0.0747","","","0.1774","0.1935","","","","","","1.069","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326958","18.183","0.0017","18.9977","0.0017","19.7711","0.0018","90","","90","","90","","6829.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H49 Co P4 -","- C36 H49 Co P4 -","- C288 H392 Co8 P32 -","8","1","","Michael T. Mock; Robert G. Potter; Molly J. O'Hagan; Donald M. Camaioni; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois","Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds","Inorganic Chemistry","2011","50","","11914","11928","10.1021/ic200857x","","","0.71073","MoKα","","0.0712","0.0399","","","0.0839","0.0954","","","","","","1.01","","","","has coordinates","179372","2020-10-21","18:00:00",""
"4327068","20.2749","0.0006","18.6319","0.0005","20.417","0.0006","90","","90","","90","","7712.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H54 Cl3 N2 Si -","- C38 H54 Cl3 N2 Si -","- C304 H432 Cl24 N16 Si8 -","8","1","","Cameron Jones; Simon J. Bonyhady; Nicole Holzmann; Gernot Frenking; Andreas Stasch","Preparation, Characterization, and Theoretical Analysis of Group 14 Element(I) Dimers: A Case Study of Magnesium(I) Compounds as Reducing Agents in Inorganic Synthesis","Inorganic Chemistry","2011","50","","12315","12325","10.1021/ic200682p","","","0.71073","MoKα","","0.1098","0.0531","","","0.112","0.14","","","","","","1.017","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327089","19.8516","0.0016","20.9553","0.0017","27.441","0.002","90","","90","","90","","11415.4","1.5","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H73 B N6 O3 Re S3 -","- C63 H73 B N6 O3 Re S3 -","- C504 H584 B8 N48 O24 Re8 S24 -","8","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0692","0.0476","","","0.1191","0.1321","","","","","","1.111","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327092","20.059","0.004","21.116","0.004","29.744","0.006","90","","90","","90","","12599","4","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H84 B Cl In N8 S4 -","- C67 H84 B Cl In N8 S4 -","- C536 H672 B8 Cl8 In8 N64 S32 -","8","1","","Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin","Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand","Inorganic Chemistry","2011","50","","12284","12295","10.1021/ic201504d","","","0.71073","MoKα","","0.0909","0.0406","","","0.0696","0.0851","","","","","","1.002","","","","has coordinates,has disorder","179373","2020-10-21","18:00:00",""
"4327215","8.7844","0.0003","12.3857","0.0004","16.255","0.0005","90","","90","","90","","1768.56","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- As F10 N S Xe -","- As F10 N S Xe -","- As8 F80 N8 S8 Xe8 -","8","1","","Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis of [F3S\τbNXeF][AsF6] and Structural Study by Multi-NMR and Raman Spectroscopy, Electronic Structure Calculations, and X-ray Crystallography","Inorganic Chemistry","2007","46","","1369","1378","10.1021/ic061899+","","","0.71073","MoKα","","0.0569","0.0438","","","0.0655","0.0679","","","","","","1.226","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327278","9.975","0.002","8.0632","0.0016","13.679","0.003","90","","90","","90","","1100.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine","N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine","","- C4 H7 Cl N O -","- C4 H7 Cl N O -","- C32 H56 Cl8 N8 O8 -","8","1","","Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane","Inorganic Chemistry","2006","45","","3746","3755","10.1021/ic051983+","","","0.71073","MoKα","","0.0843","0.0464","","","0.0797","0.0932","","","","","","1.058","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327288","8.3385","0.0003","20.9434","0.0006","26.3109","0.0009","90","","90","","90","","4594.8","0.3","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Mo N3 O3 -","- C27 H23 Mo N3 O3 -","- C216 H184 Mo8 N24 O24 -","8","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","MoKα","","0.0604","0.0451","","","0.0846","0.0887","","","","","","1.257","","","","has coordinates,has disorder","179375","2020-10-21","18:00:00",""
"4327290","12.631","0.0014","17.211","0.002","24.356","0.003","90","","90","","90","","5294.8","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29.5 H28 Cl Mo N3 O3 -","- C29.5 H28 Cl Mo N3 O3 -","- C236 H224 Cl8 Mo8 N24 O24 -","8","1","","Martin Minelli; Frances Namuswe; Daniel Jeffrey; Amy L. Morrow; Ilia A. Guzei; Dale Swenson; Eberhard Bothe; Thomas Weyhermüller","Synthesis, Structure, and Characterization of Molybdenum(VI) Imido Complexes with N-Salicylidene-2-aminophenol","Inorganic Chemistry","2006","45","","5455","5464","10.1021/ic060370+","","","0.71073","Mo-Kα","","0.0349","0.0299","","","0.0744","0.0774","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327312","11.5082","0.0002","11.2664","0.0002","27.3565","0.0005","90","","90","","90","","3546.93","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Br2 Mn N5 O2 -","- C16 H12 Br2 Mn N5 O2 -","- C128 H96 Br16 Mn8 N40 O16 -","8","1","","Hyun Hee Ko; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong","Coexistence of Spin Canting and Metamagnetism in a One-Dimensional Mn(III) Complex Bridged by a Single End-to-End Azide","Inorganic Chemistry","2006","45","","8847","8849","10.1021/ic061415+","","","0.71073","MoKα","","0.0845","0.0387","","","0.0766","0.0937","","","","","","1","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327458","14.208","0.004","16.727","0.005","24.192","0.007","90","","90","","90","","5749","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 I2 N4 Rh2 -","- C25 H36 I2 N4 Rh2 -","- C200 H288 I16 N32 Rh16 -","8","1","","Macarena Poyatos; Mercedes Sanaú; Eduardo Peris","New Rh(I) and Rh(III) Bisimidazol-2-ylidene Complexes: Synthesis, Reactivity, and Molecular Structures","Inorganic Chemistry","2003","42","","2572","2576","10.1021/ic026212+","","","0.71073","MoKα","","0.0737","0.034","","","0.0711","0.0835","","","","","","0.996","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327502","23.42","0.005","17.376","0.004","23.773","0.005","90","","90","","90","","9674","4","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","MoFe3 singly bridged double cubane with depe","","","- C62 H120 Cl10 Fe6 Mo2 O4 P10 S8 -","- C62 H120 Cl10 Fe6 Mo2 O4 P10 S8 -","- C248 H480 Cl40 Fe24 Mo8 O16 P40 S32 -","4","0.5","","Jaehong Han; Dimitri Coucouvanis","Synthesis and Structure of Singly Bridged and Doubly Bridged [MoFe3S4] Double Cubanes with Bidentate Phosphine Ligands","Inorganic Chemistry","2002","41","","2738","2746","10.1021/ic010913+","","","0.71073","MoKα","","0.1838","0.081","","","0.1664","0.2092","","","","","","0.945","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327503","25.5705","0.0003","24.9521","0.0003","32.8954","0.0004","90","","90","","90","","20988.5","0.4","158","2","158","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","MoFe3 doubly bridged double cubane with dmpe and S brigding ligands","","","- C55 H105 Cl22 Fe6 Mo2 O4 P10 S9 -","- C55 H105 Cl22 Fe6 Mo2 O4 P10 S9 -","- C440 H840 Cl176 Fe48 Mo16 O32 P80 S72 -","8","1","","Jaehong Han; Dimitri Coucouvanis","Synthesis and Structure of Singly Bridged and Doubly Bridged [MoFe3S4] Double Cubanes with Bidentate Phosphine Ligands","Inorganic Chemistry","2002","41","","2738","2746","10.1021/ic010913+","","","0.71073","MoKα","","0.1736","0.1188","","","0.2121","0.2347","","","","","","1.169","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327632","14.143","0.003","17.302","0.002","17.97","0.002","90","","90","","90","","4397.3","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C18 H24 Cl2 Cu N4 O8 -","- C18 H24 Cl2 Cu N4 O8 -","- C144 H192 Cl16 Cu8 N32 O64 -","8","1","","Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que","Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination","Inorganic Chemistry","2000","39","","4913","4920","10.1021/ic000664+","","","0.71073","MoKα","","0.1393","0.0635","","","0.1502","0.1821","","","","","","0.988","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327667","12.401","0.001","14.782","0.001","15.16","0.001","90","","90","","90","","2779","0.3","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H16 Cl Co N2 O6 S2 -","- C7 H16 Cl Co N2 O6 S2 -","- C56 H128 Cl8 Co8 N16 O48 S16 -","8","1","","Toshiaki Yonemura; Kimi Shibuya; Tomoharu Ama; Hiroshi Kawaguchi; Ken-ichi Okamoto; Jinsai Hidaka; Takaji Yasui","Three-Membered -SCoCH2 Chelate Ring Complex Formed by Photodecarboxylation Reaction of Optically Active trans(O)-[Co(edtda)(en)]Cl (edtda = Ethylenedithiodiacetate)","Inorganic Chemistry","1999","38","","3244","3247","10.1021/ic981391+","","","0.7107","MoKα","","","0.049","","","0.065","","","","","","","","","","","has coordinates","198748","2020-10-21","18:00:00",""
"4327705","16.722","0.014","15.509","0.013","17.739","0.016","90","","90","","90","","4600","7","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H33 Cl3 N3 Ta -","- C18 H33 Cl3 N3 Ta -","- C144 H264 Cl24 N24 Ta8 -","8","1","","Kurt S. Heinselman; Vincent M. Miskowski; Steven J. Geib; Louis C. Wang; Michael D. Hopkins","Molecular Structures and FT-Raman Spectroscopy of Luminescent Niobium and Tantalum Arylimido Compounds","Inorganic Chemistry","1997","36","","5530","5538","10.1021/ic970494+","","","0.71073","MoKα","","0.0535","0.0327","","0.1228","0.0965","","","","0.835","0.822","0.822","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327758","15.8674","0.0009","9.7437","0.0006","17.1201","0.001","90","","90","","90","","2646.9","0.3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","CoAPO-CJ62","","","- C2.5 H7 Al2 Co N O12 P3 -","- C2.5 Al2 Co N O12 P3 -","- C20 Al16 Co8 N8 O96 P24 -","8","1","","Lang Shao; Yi Li; Jihong Yu; Ruren Xu","Divalent-Metal-Stabilized Aluminophosphates Exhibiting a New Zeolite Framework Topology","Inorganic Chemistry","2012","51","","225","229","10.1021/ic201515z","","","0.71073","MoKα","","0.0615","0.0489","","","0.1186","0.1245","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327759","15.896","0.003","9.7475","0.0019","17.07","0.003","90","","90","","90","","2644.9","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","ZnAPO-CJ62","","","- C2.5 H7 Al2 N O12 P3 Zn -","- C2.5 Al2 N O12 P3 Zn -","- C20 Al16 N8 O96 P24 Zn8 -","8","1","","Lang Shao; Yi Li; Jihong Yu; Ruren Xu","Divalent-Metal-Stabilized Aluminophosphates Exhibiting a New Zeolite Framework Topology","Inorganic Chemistry","2012","51","","225","229","10.1021/ic201515z","","","0.71073","MoKα","","0.0585","0.046","","","0.1136","0.1199","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327764","9.6249","0.0004","19.2866","0.0009","22.531","0.001","90","","90","","90","","4182.5","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H56 Cu4 I4 N2 P2 -","- C36 H56 Cu4 I4 N2 P2 -","- C144 H224 Cu16 I16 N8 P8 -","4","0.5","","Zhiwei Liu; Peter I. Djurovich; Matthew T. Whited; Mark E. Thompson","Cu4I4 Clusters Supported by P^N-type Ligands: New Structures with Tunable Emission Colors","Inorganic Chemistry","2012","51","","230","236","10.1021/ic2015226","","","0.71073","MoKα","","0.0565","0.0416","","","0.0662","0.0678","","","","","","1.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4327825","16.966","0.003","17.746","0.004","21.892","0.004","90","","90","","90","","6591","2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 N2 O3 P Re -","- C39 H32 N2 O3 P Re -","- C312 H256 N16 O24 P8 Re8 -","8","1","","Tracey M. McLean; Janice L. Moody; Mark R. Waterland; Shane G. Telfer","Luminescent Rhenium(I)-Dipyrrinato Complexes","Inorganic Chemistry","2012","51","","446","455","10.1021/ic201877t","","","1.54178","CuKα","","0.0541","0.0466","","","0.1286","0.1798","","","","","","1.18","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327835","7.0675","0.0015","22.183","0.005","24.77","0.006","90","","90","","90","","3883.4","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VOTTDPz","vanadyl tetrakisthiadiazoleporphyrazine","","- C16 N16 O S4 V -","- C16 N16 O S4 V -","- C128 N128 O8 S32 V8 -","8","1","","Yasuhito Miyoshi; Kouji Takahashi; Takuya Fujimoto; Hirofumi Yoshikawa; Michio M. Matsushita; Yukio Ouchi; Mikael Kepenekian; Vincent Robert; Maria Pia Donzello; Claudio Ercolani; Kunio Awaga","Crystal Structure, Spin Polarization, Solid-State Electrochemistry, and High n-Type Carrier Mobility of a Paramagnetic Semiconductor: Vanadyl Tetrakis(thiadiazole)porphyrazine","Inorganic Chemistry","2012","51","","456","462","10.1021/ic201880g","","","0.7107","MoKα","","0.0538","0.0488","","","0.1156","0.1194","","","","","","1.155","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327844","10.7908","0.0011","8.6951","0.0009","25.475","0.002","90","","90","","90","","2390.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H6 Nd O7 -","- C13 H6 Nd O7 -","- C104 H48 Nd8 O56 -","8","1","","Inês Rodrigues; Ionut Mihalcea; Christophe Volkringer; Thierry Loiseau; Marc Visseaux","Water-Free Neodymium 2,6-Naphthalenedicarboxylates Coordination Complexes and Their Application as Catalysts for Isoprene Polymerization","Inorganic Chemistry","2012","51","","483","490","10.1021/ic2019346","","","0.71073","MoKα","","0.0492","0.0308","","","0.069","0.0981","","","","","","1.362","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327885","27.4233","0.0001","20.2058","0.0002","28.1096","0.0002","90","","90","","90","","15575.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H82 Eu2 N24 O18 -","- C68 H82 Eu2 N24 O18 -","- C544 H656 Eu16 N192 O144 -","8","1","","Michael Steppert; Ivana Císařová; Thomas Fanghänel; Andreas Geist; Patric Lindqvist-Reis; Petra Panak; Petr Štěpnička; Sascha Trumm; Clemens Walther","Complexation of Europium(III) by Bis(dialkyltriazinyl)bipyridines in 1-Octanol","Inorganic Chemistry","2012","51","","591","600","10.1021/ic202119x","","","0.71073","MoKα","","0.0631","0.0436","","","0.0973","0.1062","","","","","","1.07","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327946","15.0279","0.0014","15.44","0.002","28.284","0.003","90","","90","","90","","6562.8","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl4 Ir N3 O2 -","- C28 H16 Cl4 Ir N3 O2 -","- C224 H128 Cl32 Ir8 N24 O16 -","8","1","","Etienne Baranoff; Basile F. E. Curchod; Filippo Monti; Frédéric Steimer; Gianluca Accorsi; Ivano Tavernelli; Ursula Rothlisberger; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes","Inorganic Chemistry","2012","51","","799","811","10.1021/ic2011474","","","0.71073","MoKα","","0.0635","0.0479","","","0.0896","0.0958","","","","","","1.128","","","","has coordinates","179382","2020-10-21","18:00:00",""
"4328001","6.8371","0.0003","17.1234","0.0007","29.0604","0.0012","90","","90","","90","","3402.2","0.2","180","","180","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Ag Cu N4 O3 -","- C13 H19 Ag Cu N4 O3 -","- C104 H152 Ag8 Cu8 N32 O24 -","8","1","","Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela","Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions","Inorganic Chemistry","2012","51","","1011","1019","10.1021/ic202157q","","","0.71073","MoKα","","0.0614","0.0285","","0.0463","0.0301","0.0286","","","","","","1.0672","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328011","15.6509","0.0007","14.5103","0.0009","18.3198","0.0009","90","","90","","90","","4160.4","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Methylthiophenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C19 H31 N O3 S Sn -","- C19 H31 N O3 S Sn -","- C152 H248 N8 O24 S8 Sn8 -","8","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0878","0.0256","","","0.0357","0.0387","","","","","","0.631","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328136","9.638","0.0004","19.9218","0.0007","25.9126","0.0009","90","","90","","90","","4975.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H21 Cl2 N3 O3 Pd S -","- C25 H21 Cl2 N3 O3 Pd S -","- C200 H168 Cl16 N24 O24 Pd8 S8 -","8","1","","Ana M. García-Deibe; Jesús Sanmartín-Matalobos; Concepción González-Bello; Emilio Lence; Cristina Portela-García; Luis Martínez-Rodríguez; Matilde Fondo","Metal-Assisted Ring-Closing/Opening Process of a Chiral Tetrahydroquinazoline","Inorganic Chemistry","2012","51","","1278","1293","10.1021/ic2017038","","","0.71073","MoKα","","0.1306","0.0549","","","0.0952","0.1241","","","","","","1.018","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328144","18.5932","0.0005","16.5947","0.0004","22.1689","0.0006","90","","90","","90","","6840.2","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H53 N2 Na O2 -","- C36 H53 N2 Na O2 -","- C288 H424 N16 Na8 O16 -","8","1","","Thomas W. Myers; Louise A. Berben","A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)","Inorganic Chemistry","2012","51","","1480","1488","10.1021/ic201729b","","","0.71073","MoKα","","0.0465","0.0402","","","0.1117","0.1169","","","","","","1.04","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328168","13.927","0.001","9.67","0.001","33.253","0.003","90","","90","","90","","4478.3","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Au(AZPTSC)(CN)]","Cyanato(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''- hexamethylenecarbothioamide)benzamidineto)gold(III)","","- C20 H27 Au N6 S2 -","- C20 H27 Au N6 S2 -","- C160 H216 Au8 N48 S16 -","8","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0875","0.0631","","","0.1628","0.197","","","","","","1.027","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328170","13.7878","0.0006","9.7254","0.0005","33.28","0.001","90","","90","","90","","4462.6","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[AuCl(AZPTSC)]","Chloro(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylene carbothioamide)benzamidinato)gold(III)","","- C19 H27 Au Cl N5 S2 -","- C19 H27 Au Cl N5 S2 -","- C152 H216 Au8 Cl8 N40 S16 -","8","1","","Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram","Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands","Inorganic Chemistry","2012","51","","1604","1613","10.1021/ic201905t","","","0.71073","MoKα","","0.0842","0.05","","","0.1199","0.1351","","","","","","0.883","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328184","14.1822","0.0002","16.3106","0.0003","29.7326","0.0004","90","","90","","90","","6877.75","0.18","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Cl F6 N4 O4 P Ru2 -","- C30 H36 Cl F6 N4 O4 P Ru2 -","- C240 H288 Cl8 F48 N32 O32 P8 Ru16 -","8","1","","Amit Das; Thomas Michael Scherer; Abhishek Dutta Chowdhury; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri","Asymmetrical Diruthenium Complex Bridged by a Redox-Active Ligand","Inorganic Chemistry","2012","51","","1675","1684","10.1021/ic201975h","","","0.71073","MoKα","","0.0389","0.0257","","","0.0604","0.0625","","","","","","0.924","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328351","18.409","0.014","16.856","0.013","36.26","0.03","90","","90","","90","","11252","15","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mo6 N2 O47.5 P4 Rb0.75 -","- C10 H22 Mo6 N2 O47.5 P4 Rb0.75 -","- C80 H176 Mo48 N16 O380 P32 Rb6 -","8","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.1447","0.0906","","","0.2486","0.2779","","","","","","1.089","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4328352","18.8861","0.0004","17.0627","0.0004","31.6438","0.0007","90","","90","","90","","10197.1","0.4","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53.5 Cs1.25 K Mo6 N5.75 O39.25 P4 -","- C10 H22 Cs1.25 K Mo6 N2 O43 P4 -","- C80 H176 Cs10 K8 Mo48 N16 O344 P32 -","8","1","","Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates","Inorganic Chemistry","2012","51","","2291","2302","10.1021/ic202299d","","","0.71073","MoKα","","0.0803","0.0668","","","0.1567","0.1655","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328435","11.413","0.005","11.974","0.005","16.802","0.007","90","","90","","90","","2296.1","1.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cesium 1-iodo-nido-7,8-dicarboranedecaborate","","- C2 H11 B9 Cs I -","- C2 H11 B9 Cs I -","- C16 H88 B72 Cs8 I8 -","8","1","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","MoKα","","0.0271","0.0256","","","0.0707","0.0719","","","","","","1.137","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328453","10.718","0.0007","16.8947","0.0009","24.9893","0.0014","90","","90","","90","","4525","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B11 N -","- C14 H36 B11 N -","- C112 H288 B88 N8 -","8","1","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0754","0.0495","","","0.0874","0.0938","","","","","","1.063","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328454","10.2163","0.0003","17.0365","0.0006","26.2239","0.001","90","","90","","90","","4564.3","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B11 N -","- C15 H36 B11 N -","- C120 H288 B88 N8 -","8","1","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0835","0.0579","","","0.104","0.1104","","","","","","1.036","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328459","9.9535","0.001","21.461","0.004","23.331","0.004","90","","90","","90","","4983.8","1.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichloro(1,5,9,13-tetraselenacyclohexadecane)gallium tetrachlorogallate(III)","","- C12 H24 Cl6 Ga2 Se4 -","- C12 H24 Cl6 Ga2 Se4 -","- C96 H192 Cl48 Ga16 Se32 -","8","1","","Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid","Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands","Inorganic Chemistry","2012","51","","2231","2240","10.1021/ic202670v","","","0.71073","MoKα","","0.0558","0.0371","","","0.0749","0.0851","","","","","","1.093","","","","has coordinates","179387","2020-10-21","18:00:00",""
"4328506","18.041","0.002","14.442","0.002","20.886","0.002","90","","90","","90","","5441.8","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","hexacarbonylbis(μ-benzenethiolato)(μ-pyridazine-κN1:κN2)dirhenium dichloromethane solvate","","- C23 H16 Cl2 N2 O6 Re2 S2 -","- C23 H16 Cl2 N2 O6 Re2 S2 -","- C184 H128 Cl16 N16 O48 Re16 S16 -","8","1","","Alessio Raimondi; Monica Panigati; Daniela Maggioni; Laura D'Alfonso; Pierluigi Mercandelli; Patrizia Mussini; Giuseppe D'Alfonso","Electrochemical, Computational, and Photophysical Characterization of New Luminescent Dirhenium-Pyridazine Complexes Containing Bridging OR or SR Anions","Inorganic Chemistry","2012","51","","2966","2975","10.1021/ic202284a","","","0.71073","MoKα","","0.0277","0.0231","","","0.053","0.0545","","","","","","1.087","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328516","7.6722","0.0016","13.827","0.003","33.483","0.007","90","","90","","90","","3552","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Br Mo N3 O5 -","- C15 H16 Br Mo N3 O5 -","- C120 H128 Br8 Mo8 N24 O40 -","8","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.1133","0.0412","","","0.0821","0.1179","","","","","","1.072","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328572","26.157","0.008","34.091","0.011","46.102","0.015","90","","90","","90","","41110","2","293.1","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H132 N3 Ni2 S16 Se8 -","- C80 H132 N3 Ni2 S16 Se8 -","- C1280 H2112 N48 Ni32 S256 Se128 -","16","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0621","","","","0.0755","","","","","","1.214","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328573","26.238","0.004","34.202","0.005","46.196","0.007","90","","90","","90","","41456","11","293.1","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H132 N3 Ni2 S16 Se8 -","- C80 H132 N3 Ni2 S16 Se8 -","- C1280 H2112 N48 Ni32 S256 Se128 -","16","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0829","","","","0.0705","","","","","","1.254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328574","26.25","0.008","34.15","0.02","46.16","0.008","90","","90","","90","","41380","3","293.1","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H132 N3 Ni2 S16 Se8 -","- C80 H132 N3 Ni2 S16 Se8 -","- C1280 H2112 N48 Ni32 S256 Se128 -","16","2","","Hiroyuki Yajima; Biao Zhou; Emiko Fujiwara; Akiko Kobayashi; Hayao Kobayashi","Charge Ordering and Carrier Generation by Air Oxidation of a Nickel Complex with Selenium-Containing Extended-Tetrathiafulvalenedithiolate Ligands","Inorganic Chemistry","2012","51","","2731","2733","10.1021/ic2026768","","","0.7107","MoKα","","","0.0909","","","","0.0776","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328672","17.379","0.005","14.775","0.004","27.878","0.008","90","","90","","90","","7158","3","173.1","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H28 N4 Ni O3 S2 -","- C12 H28 N4 Ni O3 S2 -","- C192 H448 N64 Ni16 O48 S32 -","16","2","","Jun-ichi Nishigaki; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Coordination of Methyl Coenzyme M and Coenzyme M at Divalent and Trivalent Nickel Cyclams: Model Studies of Methyl Coenzyme M Reductase Active Site","Inorganic Chemistry","2012","51","","3690","3697","10.1021/ic202686x","","","0.7107","MoKα","","","0.0709","","","","0.1887","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328677","15.293","0.004","11.795","0.003","23.293","0.006","90","","90","","90","","4201.6","1.9","110","0.1","110","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Fe2 O4 P -","- C21 H27 Fe2 O4 P -","- C168 H216 Fe16 O32 P8 -","8","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz","Activation of H-H and H-O Bonds at Phosphorus with Diiron Complexes Bearing Pyramidal Phosphinidene Ligands","Inorganic Chemistry","2012","51","","3698","3706","10.1021/ic2026945","","x-ray","0.71073","MoKα","","0.073","0.0368","","","0.0761","0.0943","","","","","","1.121","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328874","16.6718","0.0004","5.2995","0.0002","23.2735","0.0006","90","","90","","90","","2056.27","0.11","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi4 Mg O12 P2 -","- Bi4 Mg O12 P2 -","- Bi32 Mg8 O96 P16 -","8","1","","Diana Endara; Marie Colmont; Marielle Huvé; Grégory Tricot; Laurent Carpentier; Olivier Mentré","Novel Tailormade Bi4MO4(PO4)2 Structural Type (M = Mg, Zn)","Inorganic Chemistry","2012","51","","4438","4447","10.1021/ic201572y","","","0.71073","MoKα","","0.0579","0.0319","","","0.0299","0.0338","","","","1.29","1.29","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328945","16.517","0.0014","16.6341","0.0013","24.592","0.002","90","","90","","90","","6756.5","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H39 Cl5 Ga2 N2 -","- C27 H39 Cl5 Ga2 N2 -","- C216 H312 Cl40 Ga16 N16 -","8","1","","Ana M. Felix; Diane A. Dickie; Ian S. Horne; Giang Page; Richard A. Kemp","Addition of Aluminum and Gallium Species to Aromatic and Alkyl-Substituted 1,4-Diaza-1,3-butadiene Ligands","Inorganic Chemistry","2012","51","","4650","4662","10.1021/ic202583w","","","0.71073","MoKα","","0.0833","0.0427","","","0.1047","0.1261","","","","","","1.031","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4328991","20.74","0.03","17.03","0.03","25.84","0.04","90","","90","","90","","9127","3","123","","123","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H72 B2 Co F8 N12 O4 P4 -","- C24 H72 B2 Co F8 N12 O4 P4 -","- C192 H576 B16 Co8 F64 N96 O32 P32 -","8","1","","Koichiro Takao; Yurina Tone; Christoph Hennig; Shohei Inoue; Taro Tsubomura","Simplest Homoleptic Metal-Centered Tetrahedrons, [M(OH2)4]2+, in 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid (M = Co, Ni, Cu)","Inorganic Chemistry","2012","51","","4850","4854","10.1021/ic3003433","","","0.7107","MoKα","","","0.1325","","","","0.2939","","","","","","1.32","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329120","21.5181","0.0016","20.5686","0.0014","33.051","0.002","90","","90","","90","","14628.3","1.7","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H80 N2 O2 Pt -","- C72 H80 N2 O2 Pt -","- C576 H640 N16 O16 Pt8 -","8","1","","Tracy L. Lohr; Warren E. Piers; Masood Parvez","Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands","Inorganic Chemistry","2012","51","","4900","4902","10.1021/ic300337a","","","0.71073","MoKα","","0.1578","0.1159","","","0.2331","0.2514","","","","","","1.117","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329121","18.762","0.002","22.787","0.002","33.498","0.003","90","","90","","90","","14321","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H96 Cl2 N2 O4 Pt -","- C72 H96 Cl2 N2 O4 Pt -","- C576 H768 Cl16 N16 O32 Pt8 -","8","1","","Tracy L. Lohr; Warren E. Piers; Masood Parvez","Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands","Inorganic Chemistry","2012","51","","4900","4902","10.1021/ic300337a","","","0.71073","MoKα","","0.0735","0.0482","","","0.0828","0.0934","","","","","","1.098","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329130","20.1413","0.0002","17.7925","0.0002","28.3123","0.0003","90","","90","","90","","10146.1","0.19","150.15","","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C45 H54 Cl2 Cu2 N4 O17 -","- C45 H54 Cl2 Cu2 N4 O17 -","- C360 H432 Cl16 Cu16 N32 O136 -","8","1","","Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao","Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2012","51","","5409","5416","10.1021/ic3003806","","","1.5418","CuKα","","0.0673","0.0595","","","0.1598","0.1664","","","","","","1.047","","","","has coordinates,has disorder","179394","2020-10-21","18:00:00",""
"4329215","24.8929","0.001","27.2133","0.0008","28.4169","0.0012","90","","90","","90","","19250.1","1.3","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C127.5 H139.5 Cl46.5 N4 O16 Ru4 -","- C127.5 H139.5 Cl46.5 N4 O16 Ru4 -","- C510 H558 Cl186 N16 O64 Ru16 -","4","0.5","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.2194","0.0877","","","0.2097","0.2447","","","","","","0.802","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4329253","17.9789","0.0005","7.8016","0.0002","22.2904","0.0006","90","","90","","90","","3126.54","0.15","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 As N17 -","- C7 H10 As N17 -","- C56 H80 As8 N136 -","8","1","","Benjamin Lyhs; Dieter Bläser; Christoph Wölper; Stephan Schulz; Georg Jansen","First Structural Characterization of Neutral, Base-Stabilized Group 15-Pentaazides: Single Crystal X-ray Structures of dmap-As(N3)5 and dmap-Sb(N3)5","Inorganic Chemistry","2012","51","","5897","5902","10.1021/ic300523k","","","0.71073","MoKα","","0.0392","0.0273","","","0.0537","0.0583","","","","","","1.092","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329255","9.7924","0.0005","16.1517","0.0008","21.1854","0.001","90","","90","","90","","3350.8","0.3","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B7 Br Ru -","- C14 H18 B7 Br Ru -","- C112 H144 B56 Br8 Ru8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.043","0.0303","","","0.0584","0.0635","","","","","","1.09","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329256","9.7663","0.0001","16.2442","0.0002","20.5721","0.0003","90","","90","","90","","3263.68","0.07","153","1","153","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B7 Cl Ru -","- C14 H18 B7 Cl Ru -","- C112 H144 B56 Cl8 Ru8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0218","0.0172","","","0.0423","0.0445","","","","","","1.031","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329258","9.8425","0.0004","15.6909","0.0006","20.9816","0.0008","90","","90","","90","","3240.3","0.2","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B7 Br Fe -","- C14 H18 B7 Br Fe -","- C112 H144 B56 Br8 Fe8 -","8","1","","Ariane Perez-Gavilan; Patrick J. Carroll; Larry G. Sneddon","New Palladium-Catalyzed Cross-Coupling Routes to Carbon Functionalized Metallatricarbadecaboranes","Inorganic Chemistry","2012","51","","5903","5910","10.1021/ic300528h","","","0.71073","MoKα","","0.0237","0.0201","","","0.0499","0.0516","","","","","","1.068","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329284","19.993","0.004","18.277","0.004","22.778","0.004","90","","90","","90","","8323","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H60 Cu I N6 O2 P4 -","- C30 H60 Cu I N6 O2 P4 -","- C240 H480 Cu8 I8 N48 O16 P32 -","8","1","","Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna","Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes","Inorganic Chemistry","2012","51","","5919","5930","10.1021/ic300541n","","","0.71073","MoKα","","0.1007","0.059","","","0.1432","0.1742","","","","","","1.024","","","","has coordinates","179395","2020-10-21","18:00:00",""
"4329338","8.2524","0.0012","20.189","0.002","11.2555","0.0017","90","","90","","90","","1875.3","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3-methyl-4H-1,2,4-triazol-4-yl)benzoic acid","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C80 H72 N24 O16 -","8","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0427","0.0341","","","0.0889","0.0914","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329339","10.6417","0.0008","21.0934","0.0019","17.095","0.002","90","","90","","90","","3837.3","0.6","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3-methyl-4H-1,2,4-triazol-4-yl)benzoic acid","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C160 H144 N48 O32 -","16","2","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0576","0.0377","","","0.0889","0.0937","","","","","","0.887","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329340","11.0109","0.0012","15.999","0.002","15.6693","0.0018","90","","90","","90","","2760.4","0.6","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3-Methyl-5-(pyridin-3-yl)-1,2,4-triazol-4-yl)benzoic acid","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C120 H96 N32 O16 -","8","1","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0498","0.0391","","","0.103","0.1085","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329435","10.555","0.002","14.071","0.003","16.444","0.003","90","","90","","90","","2442.3","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thioacetic acid S-anthracen-9-yl ester","","- C16 H12 O S -","- C16 H12 O S -","- C128 H96 O8 S8 -","8","1","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0625","0.0577","","","0.1374","0.1422","","","","","","1.149","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4329505","15.422","0.003","20.25","0.004","35.116","0.007","90","","90","","90","","10967","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H144 Cl4 Cu12 N12 O50 P4 -","- C66 H122 Cl4 Cu12 N12 O50 P4 -","- C264 H488 Cl16 Cu48 N48 O200 P16 -","4","0.5","","Saskia Speed; Ramon Vicente; Daniel Aravena; Eliseo Ruiz; Olivier Roubeau; Simon J. Teat; M. Salah El Fallah","Hexanuclear Copper(II) Cages Built on a Central {μ3-O...H...μ3-O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies","Inorganic Chemistry","2012","51","","6842","6850","10.1021/ic300589h","","","0.7514","synchrotron","","0.0629","0.0597","","","0.1606","0.1633","","","","","","1.048","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329506","15.422","0.003","20.25","0.004","35.116","0.007","90","","90","","90","","10967","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H72 Cl2 Cu6 N6 O25 P2 -","- C33 H61 Cl2 Cu6 N6 O25 P2 -","- C264 H488 Cl16 Cu48 N48 O200 P16 -","8","1","","Saskia Speed; Ramon Vicente; Daniel Aravena; Eliseo Ruiz; Olivier Roubeau; Simon J. Teat; M. Salah El Fallah","Hexanuclear Copper(II) Cages Built on a Central {μ3-O...H...μ3-O} Moiety, 1,3-Bis(dimethylamino)-2-propanolato and Capping R-phosphonates: Crystal Structures, Magnetic Behavior, and DFT Studies","Inorganic Chemistry","2012","51","","6842","6850","10.1021/ic300589h","","","0.7514","synchrotron","","0.0821","0.0803","","","0.199","0.2004","","","","","","1.035","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329547","15.5459","0.0003","14.764","0.0003","21.8188","0.0004","90","","90","","90","","5007.84","0.17","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H31 Cl2 Cu N5 O11 -","- C17 H31 Cl2 Cu N5 O11 -","- C136 H248 Cl16 Cu8 N40 O88 -","8","1","","Luís M. P. Lima; David Esteban-Gómez; Rita Delgado; Carlos Platas-Iglesias; Raphaël Tripier","Monopicolinate Cyclen and Cyclam Derivatives for Stable Copper(II) Complexation","Inorganic Chemistry","2012","51","","6916","6927","10.1021/ic300784v","","x-ray","0.71073","MoKα","","0.0707","0.0477","","","0.1297","0.1375","","","","","","1.065","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329556","25.706","0.0002","24.5296","0.0002","28.4474","0.0002","90","","90","","90","","17937.7","0.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 N8 Nd2 O80 Si2 W20 -","- C112 N8 Nd2 O80 Si2 W20 -","- C448 N32 Nd8 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0797","0.0486","","","0.0943","0.1087","","","","","","1.019","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329557","25.6905","0.0001","24.4161","0.0001","28.619","0.0002","90","","90","","90","","17951.6","0.16","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 Eu2 N8 O80 Si2 W20 -","- C112 Eu2 N8 O80 Si2 W20 -","- C448 Eu8 N32 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0483","0.0339","","","0.0882","0.1042","","","","","","1.002","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329558","25.6711","0.0002","24.3722","0.0002","28.6457","0.0002","90","","90","","90","","17922.5","0.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 Gd2 N8 O80 Si2 W20 -","- C112 Gd2 N8 O80 Si2 W20 -","- C448 Gd8 N32 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0594","0.0451","","","0.1134","0.1286","","","","","","1.075","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329559","25.6672","0.0001","24.3218","0.0001","28.7271","0.0002","90","","90","","90","","17933.5","0.16","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 N8 O80 Si2 Tb2 W20 -","- C112 N8 O80 Si2 Tb2 W20 -","- C448 N32 O320 Si8 Tb8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0587","0.0408","","","0.0931","0.1081","","","","","","1.018","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329560","25.65119","0.0001","24.259","0.0001","28.8018","0.0001","90","","90","","90","","17922.6","0.12","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H0 Dy2 N8 O80 Si2 W20 -","- C112 Dy2 N8 O80 Si2 W20 -","- C448 Dy8 N32 O320 Si8 W80 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","","0.71069","MoKα","","0.0445","0.0343","","","0.0928","0.1083","","","","","","1.056","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329561","24.2234","0.0001","28.7953","0.0001","25.6468","0.0001","90","","90","","90","","17889.2","0.12","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 N8 O80 Si2 W20 Y2 -","- C112 N8 O80 Si2 W20 Y2 -","- C448 N32 O320 Si8 W80 Y8 -","4","0.5","","Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates","Inorganic Chemistry","2012","51","","6953","6961","10.1021/ic3008365","","x-ray","0.71069","MoKα","","","0.0402","","","","0.1393","","","","","","1.099","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329641","20.6971","0.0018","9.9614","0.0009","32.738","0.003","90","","90","","90","","6749.7","1","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H50 N O4 V -","- C36 H50 N O4 V -","- C288 H400 N8 O32 V8 -","8","1","","Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson","Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands","Inorganic Chemistry","2012","51","","7354","7361","10.1021/ic3007525","","","0.71073","MoKα","","0.1025","0.059","","","0.1436","0.16","","","","","","1.384","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329675","16.814","0.005","12.842","0.005","26.396","0.005","90","0.005","90","0.005","90","0.005","5700","3","180","2","180","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br F12 N5 O P2 Ru -","- C20 H20 Br F12 N5 O P2 Ru -","- C160 H160 Br8 F96 N40 O8 P16 Ru8 -","8","1","","Benoit Cormary; Sonia Ladeira; Kane Jacob; Pascal G. Lacroix; Theo Woike; Dominik Schaniel; Isabelle Malfant","Structural Influence on the Photochromic Response of a Series of Ruthenium Mononitrosyl Complexes","Inorganic Chemistry","2012","51","","7492","7501","10.1021/ic202702r","","x-ray","0.71073","MoKα","","0.0468","0.0288","","","0.0612","0.0676","","","","","","1.006","","","","has coordinates,has disorder","179399","2020-10-21","18:00:00",""
"4329719","9.60384","0.00017","12.631","0.0002","15.4651","0.0011","90","","90","","90","","1876.01","0.14","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H11 Ir O7 S -","- C5 H11 Ir O7 S -","- C40 H88 Ir8 O56 S8 -","8","1","","James D. Blakemore; Nathan D. Schley; Maxwell N. Kushner-Lenhoff; Andrew M. Winter; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Comparison of Amorphous Iridium Water-Oxidation Electrocatalysts Prepared from Soluble Precursors","Inorganic Chemistry","2012","51","","7749","7763","10.1021/ic300764f","","","1.54187","CuKα","","","0.0306","","","","0.0787","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329778","17.6882","0.0001","31.7087","0.0002","47.8925","0.0003","90","","90","","90","","26861.5","0.3","153","2","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 N6 O36 Si W10 -","- C96 N6 O36 Si W10 -","- C768 N48 O288 Si8 W80 -","8","1","","Kosei Sugahara; Shinjiro Kuzuya; Tomohisa Hirano; Keigo Kamata; Noritaka Mizuno","Reversible Deprotonation and Protonation Behaviors of a Tetra-Protonated γ-Keggin Silicodecatungstate","Inorganic Chemistry","2012","51","","7932","7939","10.1021/ic3010773","","x-ray","0.71069","MoKα","","","0.1064","","","","0.2765","","","","","","1.196","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329806","11.823","0.003","24.824","0.006","48.413","0.011","90","","90","","90","","14209","6","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C43 H35 Cu4 F24 N25 O P4 Se7 -","- C43 H35 Cu4 F24 N25 O P4 Se7 -","- C344 H280 Cu32 F192 N200 O8 P32 Se56 -","8","1","","Goutam Mukherjee; Puspendra Singh; Chandrasekhar Ganguri; Sagar Sharma; Harkesh B. Singh; Nidhi Goel; Udai P. Singh; Ray J. Butcher","Selenadiazolopyridine: A Synthon for Supramolecular Assembly and Complexes with Metallophilic Interactions","Inorganic Chemistry","2012","51","","8128","8140","10.1021/ic3005272","","","0.71073","MoKα","","0.1553","0.0961","","","0.2224","0.2456","","","","","","0.977","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329855","11.371","0.0006","7.3867","0.0003","43.146","0.002","90","","90","","90","","3624","0.3","117","","117","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Cl2 Cu N2 -","- C21 H18 Cl2 Cu N2 -","- C168 H144 Cl16 Cu8 N16 -","8","1","","Evgeny Kataev; René Arnold; Tobias Rüffer; Heinrich Lang","Fluorescence Detection of Adenosine Triphosphate in an Aqueous Solution Using a Combination of Copper(II) Complexes","Inorganic Chemistry","2012","51","","7948","7950","10.1021/ic300805q","","","1.54184","CuKα","","0.0676","0.0559","","","0.1486","0.1522","","","","","","1.111","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329856","9.1131","0.0004","11.1886","0.0005","21.1525","0.0011","90","","90","","90","","2156.77","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H20 B N S -","- C7 H20 B N S -","- C56 H160 B8 N8 S8 -","8","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0413","0.0323","","","0.0832","0.0892","","","","","","1.046","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329859","15.432","0.0005","18.0547","0.0006","27.4253","0.0008","90","","90","","90","","7641.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H33 B3 Cl0 S3 -","- C12 H33 B3 S3 -","- C192 H528 B48 S48 -","16","2","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0478","0.0313","","","0.0919","0.1255","","","","","","1.135","","","","has coordinates,has disorder","179401","2020-10-21","18:00:00",""
"4329866","8.8514","0.0002","9.8373","0.0002","19.8811","0.0005","90","","90","","90","","1731.12","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 B N S -","- C7 H12 B N S -","- C56 H96 B8 N8 S8 -","8","1","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0383","0.0349","","","0.0901","0.0925","","","","","","1.087","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329867","10.932","0.003","9.0064","0.0019","24.933","0.005","90","","90","","90","","2454.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 B2 F10 N4 S2 -","- C16 H24 B2 F10 N4 S2 -","- C64 H96 B8 F40 N16 S8 -","4","0.5","","Alasdair P. M. Robertson; Mairi F. Haddow; Ian Manners","Synthesis and the Thermal and Catalytic Dehydrogenation Reactions of Amine-Thioboranes","Inorganic Chemistry","2012","51","","8254","8264","10.1021/ic3008188","","","0.71073","MoKα","","0.0969","0.0721","","","0.1781","0.1906","","","","","","1.139","","","","has coordinates","179401","2020-10-21","18:00:00",""
"4329879","14.9","0.003","21.774","0.004","16.047","0.003","90","","90","","90","","5206.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H132 B15 Cl3 Mo13 -","- C80 H132 B15 Cl3 Mo13 -","- C160 H264 B30 Cl6 Mo26 -","2","0.25","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0583","0.0448","","","0.1054","0.11","","","","","","1.189","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329880","15.2196","0.0004","16.0129","0.0003","22.6286","0.0005","90","","90","","90","","5514.8","0.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H38 B4 Cl Mo2 O Te -","- C22 H38 B4 Cl Mo2 O Te -","- C176 H304 B32 Cl8 Mo16 O8 Te8 -","8","1","","Arunabha Thakur; Soumik Sao; V. Ramkumar; Sundargopal Ghosh","Novel Class of Heterometallic Cubane and Boride Clusters Containing Heavier Group 16 Elements","Inorganic Chemistry","2012","51","","8322","8330","10.1021/ic3008602","","","0.71073","MoKα","","0.0636","0.0405","","","0.0983","0.1162","","","","","","1.119","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4329910","8.651","0.002","8.997","0.002","18.227","0.005","90","","90","","90","","1418.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pu(IV) phosphite","","","- H6 O8 P2 Pu -","- H6 O8 P2 Pu -","- H48 O64 P16 Pu8 -","8","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0262","0.0176","","","0.0341","0.0376","","","","","","1.033","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329921","6.0111","0.0004","11.5308","0.0009","13.9334","0.001","90","","90","","90","","965.76","0.12","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Cl4 Tc -","- Cl4 Tc -","- Cl32 Tc8 -","8","1","","Erik V. Johnstone; Frederic Poineau; Paul M. Forster; Longzou Ma; Thomas Hartmann; Andrew Cornelius; Daniel Antonio; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium Tetrachloride Revisited: A Precursor to Lower-Valent Binary Technetium Chlorides","Inorganic Chemistry","2012","51","","8462","8467","10.1021/ic301011c","","","0.71073","MoKα","","0.0249","0.0224","","","0.0586","0.0595","","","","","","1.208","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329974","11.7933","0.0008","10.9709","0.0007","15.6524","0.0009","90","","90","","90","","2025.2","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N2 Ni O6 -","- C9 H9 N2 Ni O6 -","- C72 H72 N16 Ni8 O48 -","8","1","","Sanjog S. Nagarkar; Raja Das; Pankaj Poddar; Sujit K. Ghosh","Bistable Dynamic Coordination Polymer Showing Reversible Structural and Functional Transformations","Inorganic Chemistry","2012","51","","8317","8321","10.1021/ic301481p","","","0.71073","MoKα","","0.0243","0.0213","","","0.0558","0.057","","","","","","1.058","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329976","16.4534","0.0005","6.4536","0.0002","17.325","0.0005","90","","90","","90","","1839.63","0.1","180","2","180","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cl N2 O2 Rh -","- C6 H6 Cl N2 O2 Rh -","- C48 H48 Cl8 N16 O16 Rh8 -","8","1","","Romain J. Adcock; Duc Hanh Nguyen; Sonia Ladeira; Carole Le Berre; Philippe Serp; Philippe Kalck","Reactivity of Rhodium(I) Complexes Bearing Nitrogen-Containing Ligands toward CH3I: Synthesis and Full Characterization of Neutral cis-[RhX(CO)2(L)] and Acetyl [RhI(μ-I)(COMe)(CO)(L)]2 Complexes","Inorganic Chemistry","2012","51","","8670","8685","10.1021/ic2019988","","x-ray","0.71073","MoKα","","0.034","0.0232","","","0.0454","0.0487","","","","","","1.06","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4330000","13.1414","0.0006","15.3604","0.0007","32.0801","0.0014","90","","90","","90","","6475.6","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H86 Co2 O26 P8 V2 -","- C46 H86 Co2 O26 P8 V2 -","- C184 H344 Co8 O104 P32 V8 -","4","0.5","","Alexander E. Anderson; Michael P. Weberski; Craig C. McLauchlan","Phosph(on/in)ate-Bridged Vanadium(IV) Dimers: Synthesis and Characterization","Inorganic Chemistry","2012","51","","8719","8728","10.1021/ic3002306","","","0.71073","MoKα","","0.0673","0.0566","","","0.1419","0.1489","","","","","","1.091","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330045","14.722","0.003","13.733","0.003","25.207","0.005","90","","90","","90","","5096.3","1.8","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Fe N3 Ni S2 -","- C24 H25 Fe N3 Ni S2 -","- C192 H200 Fe8 N24 Ni8 S16 -","8","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.0793","0.0541","","","0.1391","0.1564","","","","","","1.069","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330084","17.504","0.002","7.8687","0.001","25.007","0.003","90","","90","","90","","3444.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H54 N10 O2 -","- C32 H54 N10 O2 -","- C128 H216 N40 O8 -","4","0.5","","Rajnish Kumar; Tapas Guchhait; Ganesan Mani","Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study","Inorganic Chemistry","2012","51","","9029","9038","10.1021/ic3011822","","","0.71073","MoKα","","0.176","0.0782","","","0.1943","0.2726","","","","","","1.073","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330122","16.342","0.003","14.011","0.003","26.379","0.005","90","","90","","90","","6040","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H42 N2 O15 Zn2 -","- C25 H42 N2 O15 Zn2 -","- C200 H336 N16 O120 Zn16 -","8","1","","Vadapalli Chandrasekhar; Sourav Das; Rajeev Yadav; Sakiat Hossain; Rashmi Parihar; Ganesh Subramaniam; Pratik Sen","Novel Chemosensor for the Visual Detection of Copper(II) in Aqueous Solution at the ppm Level","Inorganic Chemistry","2012","51","","8664","8666","10.1021/ic301399a","","","0.71073","MoKα","","0.0689","0.0523","","","0.1305","0.1446","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330253","10.6388","0.0004","13.7319","0.0005","26.1001","0.001","90","","90","","90","","3813","0.2","103","","103","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Cu F6 N3 P -","- C16 H27 Cu F6 N3 P -","- C128 H216 Cu8 F48 N24 P8 -","8","1","","Atsushi Kunishita; Mehmed Z. Ertem; Yuri Okubo; Tetsuro Tano; Hideki Sugimoto; Kei Ohkubo; Nobutaka Fujieda; Shunichi Fukuzumi; Christopher J. Cramer; Shinobu Itoh","Active Site Models for the CuASite of Peptidylglycine α-Hydroxylating Monooxygenase and Dopamine β-Monooxygenase","Inorganic Chemistry","2012","51","","9465","9480","10.1021/ic301272h","","","0.71075","MoKα","","","0.0261","","","","0.0588","","","","","","1.008","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330313","18.091","0.002","18.431","0.002","30.877","0.004","90","","90","","90","","10295","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1.L4","","","- C101 H104 Cl2 Mg2 N26 O16 -","- C101 H104 Cl2 Mg2 N26 O16 -","- C404 H416 Cl8 Mg8 N104 O64 -","4","0.5","","Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Building-up Remarkably Stable Magnesium Porphyrin Polymers Self-Assembled via Bidentate Axial Ligands: Synthesis, Structure, Surface Morphology, and Effect of Bridging Ligands","Inorganic Chemistry","2012","51","","9666","9676","10.1021/ic300826p","","","0.71073","MoKα","","0.1078","0.0735","","","0.181","0.2113","","","","","","1.029","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330348","13.171","0.005","18.485","0.005","40.465","0.005","90","","90","","90","","9852","5","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[(HPNPRuCl)2(H2NNH2)](BF4)2 (3b)","","","- C32 H78 B2 Cl2 F8 N4 P4 Ru2 -","- C32 H78 B2 Cl2 F8 N4 P4 Ru2 -","- C256 H624 B16 Cl16 F64 N32 P32 Ru16 -","8","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71069","MoKα","","0.098","0.076","","","0.1617","0.1703","","","","","","1.192","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330379","13.261","0.003","14.189","0.003","17.697","0.004","90","","90","","90","","3329.9","1.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cu I S2 -","- C15 H16 Cu I S2 -","- C120 H128 Cu8 I8 S16 -","8","1","","Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey","Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","9917","9934","10.1021/ic301385u","","","0.71073","MoKα","","0.0924","0.0596","","","0.1317","0.1409","","","","","","1.056","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330388","9.1729","0.0003","14.8504","0.0004","20.0887","0.0006","90","","90","","90","","2736.51","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","nido-6-tolyldecaborane(13)","","- C7 H20 B10 -","- C7 H20 B10 -","- C56 H160 B80 -","8","1","","Oleg Bondarev; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Acid-Induced Opening of [closo-B10H10]2- as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes","Inorganic Chemistry","2012","51","","9935","9942","10.1021/ic3014267","","","1.54178","Cu-Kα","","0.0797","0.0515","","","0.1244","0.1422","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330498","19.113","0.0011","19.1558","0.0011","39.478","0.002","90","","90","","90","","14453.9","1.4","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H39 Mn3 N9 -","- C38 H39 Mn3 N9 -","- C608 H624 Mn48 N144 -","16","2","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0477","0.0362","","","0.0925","0.1021","","","","","","1.034","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330515","14.9","0.003","21.774","0.004","16.047","0.003","90","","90","","90","","5206.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H132 B15 Cl3 Mo13 -","- C80 H132 B15 Cl3 Mo13 -","- C160 H264 B30 Cl6 Mo26 -","2","0.25","","Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet","Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals","Inorganic Chemistry","2012","51","","10375","10383","10.1021/ic301571e","","","0.71073","MoKα","","0.0583","0.0448","","","0.1054","0.11","","","","","","1.189","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330546","18.2538","0.0018","25.024","0.002","24.809","0.002","90","","90","","90","","11332.3","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H48 Cl6 Ir2 N6 O2 -","- C62 H48 Cl6 Ir2 N6 O2 -","- C496 H384 Cl48 Ir16 N48 O16 -","8","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71073","MoKα","","0.0692","0.0473","","","0.1098","0.1275","","","","","","1.091","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330548","18.312","0.003","23.253","0.004","25.195","0.004","90","","90","","90","","10728","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H52 Cl2 Ir2 N6 O3 -","- C56.62 H48 Cl2 Ir2 N6 O2.95 -","- C452.96 H384 Cl16 Ir16 N48 O23.6 -","8","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71073","MoKα","","0.1215","0.0675","","","0.1549","0.1854","","","","","","1.015","","","","has coordinates,has disorder","179408","2020-10-21","18:00:00",""
"4330820","13.1907","0.0019","12.2801","0.0018","26.322","0.004","90","","90","","90","","4263.7","1.1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O10 P2 U -","- C17 H18 N2 O10 P2 U -","- C136 H144 N16 O80 P16 U8 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0629","0.0378","","","0.0877","0.1096","","","","","","1.076","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330821","13.33","0.005","12.346","0.005","18.183","0.007","90","","90","","90","","2992","2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H11 N2 O10 P2 U -","- C8 H11 N2 O10 P2 U -","- C64 H88 N16 O80 P16 U8 -","8","1","","Weiting Yang; Hong-Yue Wu; Run-Xue Wang; Qing-Jiang Pan; Zhong-Ming Sun; Hongjie Zhang","From 1D Chain to 3D Framework Uranyl Diphosphonates: Syntheses, Crystal Structures, and Selective Ion Exchange","Inorganic Chemistry","2012","51","","11458","11465","10.1021/ic301183h","","","0.71073","MoKα","","0.0369","0.0283","","","0.0656","0.0703","","","","","","1.004","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4330938","14.2806","0.0003","17.6277","0.0003","23.2185","0.0004","90","","90","","90","","5844.89","0.19","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(TDAPA)CH3CN][ClO4]","","","- C26 H33 Cl Cu N5 O4 -","- C26 H33 Cl Cu N5 O4 -","- C208 H264 Cl8 Cu8 N40 O32 -","8","1","","William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer","Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2012","51","","11917","11929","10.1021/ic3018198","","","0.71073","MoKα","","0.0875","0.0695","","","0.2361","0.2596","","","","","","1.031","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330991","19.0502","0.001","19.3893","0.001","21.0914","0.0011","90","","90","","90","","7790.5","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H51 Cl2 N4 Rh -","- C43 H51 Cl2 N4 Rh -","- C344 H408 Cl16 N32 Rh8 -","8","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0271","0.0244","","","0.0657","0.0681","","","","","","1.149","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4330992","16.7113","0.0016","17.8371","0.0017","26.507","0.003","90","","90","","90","","7901.2","1.4","88","2","88","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H45 Cl2 F6 N4 Rh -","- C43 H45 Cl2 F6 N4 Rh -","- C344 H360 Cl16 F48 N32 Rh8 -","8","1","","David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk","Ligand Effects on the Oxidative Addition of Halogens to (dpp-nacnacR)Rh(phdi)","Inorganic Chemistry","2012","51","","12122","12131","10.1021/ic300733j","","","0.71073","MoKα","","0.0442","0.0366","","","0.0809","0.0837","","","","","","1.098","","","","has coordinates","179412","2020-10-21","18:00:00",""
"4331002","11.3771","0.0017","14.03","0.003","18.121","0.003","90","","90","","90","","2892.5","0.9","240","2","240","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N4 O2 -","- C13 H21 N4 O2 -","- C104 H168 N32 O16 -","8","1","","Victor I. Ovcharenko; Sergey V. Fokin; Elvina T. Kostina; Galina V. Romanenko; Artem S. Bogomyakov; Eugene V. Tretyakov","First Example of a Reversible Single-Crystal-to-Single-Crystal Polymerization-Depolymerization Accompanied by a Magnetic Anomaly for a Transition-Metal Complex with an Organic Radical","Inorganic Chemistry","2012","51","","12188","12194","10.1021/ic301328x","","","0.71073","MoKα","","0.204","0.0478","","","0.09","0.1232","","","","","","0.749","","","","has coordinates","179413","2020-10-21","18:00:00",""
"4331113","22.4517","0.001","28.7074","0.0012","31.8954","0.0014","90","","90","","90","","20557.5","1.5","83","2","83","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(ONO)Rh(py)3","","","- C104.5 H148 N8 O8 Rh2 -","- C106.32 H142 N8 O8 Rh2 -","- C850.56 H1136 N64 O64 Rh16 -","8","1","","Géza Szigethy; David W. Shaffer; Alan F. Heyduk","Coordination Effects on Electron Distributions for Rhodium Complexes of the Redox-Active Bis(3,5-di-tert-butyl-2-phenolate)amide Ligand","Inorganic Chemistry","2012","51","","12606","12618","10.1021/ic2026076","","","0.71073","MoKα","","0.0789","0.0475","","","0.114","0.1322","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331129","11.7997","0.0001","20.9853","0.0002","34.6859","0.0003","90","","90","","90","","8588.93","0.13","100","2","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H28 F10 I N P2 Pt2 -","- C49 H28 F10 I N P2 Pt2 -","- C392 H224 F80 I8 N8 P16 Pt16 -","8","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Antonio Martín; Mario Latronico; Piero Mastrorilli; Stefano Todisco; Vito Gallo","Formation of P-C Bond through Reductive Coupling between Bridging Phosphido and Benzoquinolinate Groups. Isolation of Complexes of the Pt(II)/Pt(IV)/Pt(II) Sequence","Inorganic Chemistry","2012","51","","12682","12696","10.1021/ic301298p","","","0.71073","MoKα","","0.0455","0.0387","","","0.1168","0.1211","","","","","","1.061","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331140","17.5543","0.0005","24.95","0.0006","29.1682","0.0008","90","","90","","90","","12775.1","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49.33 H48.66 Cl10.66 F12 Ga N10 P2 Sb -","- C49.329 H48.658 Cl10.658 F12 Ga N10 P2 Sb -","- C394.632 H389.264 Cl85.264 F96 Ga8 N80 P16 Sb8 -","8","1","","Brendan J. Liddle; Sarath Wanniarachchi; Jeewantha S. Hewage; Sergey V. Lindeman; Brian Bennett; James R. Gardinier","Electronic Communication Across Diamagnetic Metal Bridges: A Homoleptic Gallium(III) Complex of a Redox-Active Diarylamido-Based Ligand and Its Oxidized Derivatives","Inorganic Chemistry","2012","51","","12720","12728","10.1021/ic301437f","","","1.54178","CuKα","","0.0853","0.0646","","","0.1433","0.1528","","","","","","1.062","","","","has coordinates,has disorder","179414","2020-10-21","18:00:00",""
"4331213","11.3889","0.0007","14.4573","0.0009","22.194","0.0015","90","","90","","90","","3654.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H32 B11 N -","- C11 H32 B11 N -","- C88 H256 B88 N8 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.1105","0.0639","","","0.1635","0.2055","","","","","","1.052","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331217","12.6628","0.0009","14.1099","0.001","18.2836","0.0013","90","","90","","90","","3266.7","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H22 B11 N -","- C10 H22 B11 N -","- C80 H176 B88 N8 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)3-1,2-C2B11H11 with Nucleophiles: Scope and Mechanism","Inorganic Chemistry","2012","51","","12976","12987","10.1021/ic3020964","","","0.71073","MoKα","","0.0702","0.0557","","","0.1592","0.182","","","","","","1.083","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331472","14.865","0.0015","14.8578","0.0014","20.474","0.002","90","","90","","90","","4521.9","0.8","161","2","161","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl Co N4 O7 -","- C22 H24 Cl Co N4 O7 -","- C176 H192 Cl8 Co8 N32 O56 -","8","1","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71073","MoKα","","0.0697","0.0621","","","0.1218","0.1247","","","","","","1.268","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331497","10.2825","0.0008","16.7547","0.0014","24.935","0.002","90","","90","","90","","4295.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Be N2 O4 -","- C26 H16 Be N2 O4 -","- C208 H128 Be8 N16 O32 -","8","1","","Tong, Yi-Ping; Zheng, Shao-Liang; Chen, Xiao-Ming","Syntheses, Structures, Photoluminescence, and Theoretical Studies of a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands","Inorganic Chemistry","2005","44","12","4270","4275","10.1021/ic0501059","","","0.71073","MoKα","","0.129","0.0641","","","0.1098","0.1312","","","","","","1.032","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331503","17.5355","0.0006","15.1031","0.0005","21.2702","0.0007","90","","90","","90","","5633.2","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 O S Sm -","- C30 H43 O S Sm -","- C240 H344 O8 S8 Sm8 -","8","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0837","0.04","","","0.0798","0.0977","","","","","","1.029","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331504","17.3589","0.0017","15.2692","0.0015","21.463","0.002","90","","90","","90","","5688.9","1","168","2","168","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 O Se Sm -","- C30 H43 O Se Sm -","- C240 H344 O8 Se8 Sm8 -","8","1","","Evans, William J.; Miller, Kevin A.; Lee, David S.; Ziller, Joseph W.","Synthesis, Structure, and Ligand-Based Reduction Reactivity of Trivalent Organosamarium Benzene Chalcogenolate Complexes (C5Me5)2Sm(EPh)(THF) and [(C5Me5)2Sm(μ-EPh)]2","Inorganic Chemistry","2005","44","12","4326","4332","10.1021/ic0502170","","","0.71073","MoKα","","0.0627","0.0369","","","0.0871","0.1032","","","","","","1.126","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331530","8.7769","0.0009","11.8319","0.0011","22.826","0.002","90","","90","","90","","2370.4","0.4","198","2","198","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 As Cl3 F6 N S3 -","- C2 As Cl3 F6 N S3 -","- C16 As8 Cl24 F48 N8 S24 -","8","1","","Decken, Andreas; Mattar, Saba M.; Passmore, Jack; Shuvaev, Konstantin V.; Thompson, Laurence K.","Toward a More General Synthetic Route to Paramagnetic Solids Containing RCNSSS•+Radical Cations. A Structure−Property Correlation for RCNSSS•+(R = F5C2, Cl3C)","Inorganic Chemistry","2006","45","10","3878","3886","10.1021/ic050577n","","","0.71073","MoKα","","0.0369","0.0271","","","0.0661","0.0692","","","","","","1.051","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331623","12.6917","0.0004","17.1502","0.0005","23.9634","0.0007","90","","90","","90","","5216","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H35 O8 Si5 Ta -","- C12 H35 O8 Si5 Ta -","- C96 H280 O64 Si40 Ta8 -","8","1","","Kapoor, Ramesh N.; Cervantes-Lee, Francisco; Campana, Charles F.; Haltiwanger, Curtis; Abney, Kent; Pannell, Keith H.","Synthesis, Structural and Spectroscopic Characterization, Catalytic Properties, and Thermal Transformations of New Cyclic Di- and Trisiloxanediolato Tantalum Complexes","Inorganic Chemistry","2006","45","5","2203","2208","10.1021/ic051274w","","","0.71073","MoKα","","0.0379","0.0282","","","0.0775","0.0845","","","","","","1.355","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331651","14.6864","0.0011","16.7403","0.0013","26.01","0.002","90","","90","","90","","6394.7","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H38 B9 Cl3 N P2 Rh S -","- C22 H38 B9 Cl3 N P2 Rh S -","- C176 H304 B72 Cl24 N8 P16 Rh8 S8 -","8","1","","Beatriz Calvo; Ramón Macías; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro","Reactions of 11-Vertex Rhodathiaboranes with HCl: Synthesis and Reactivity of New Cl-Ligated Clusters","Inorganic Chemistry","2013","52","","211","221","10.1021/ic301715n","","","0.71073","MoKα","","0.0531","0.0304","","","0.0672","0.0725","","","","","","1.028","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331675","16.1603","0.0003","14.9216","0.0004","30.305","0.0006","90","","90","","90","","7307.7","0.3","173.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Cu F12 N4 O6 P2 -","- C23 H25 Cu F12 N4 O3 P2 -","- C184 H200 Cu8 F96 N32 O24 P16 -","8","1","","Shin-ichiro Noro; Yuh Hijikata; Munehiro Inukai; Tomohiro Fukushima; Satoshi Horike; Masakazu Higuchi; Susumu Kitagawa; Tomoyuki Akutagawa; Takayoshi Nakamura","Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic Fluorinated PF6- Anions","Inorganic Chemistry","2013","52","","280","285","10.1021/ic301823j","","","0.71075","MoKα","","","0.0695","","","","0.1232","","","","","","0.922","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331775","7.4002","0.0001","24.3378","0.0005","7.4038","0.0001","90","","90","","90","","1333.46","0.04","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Strontium Gallium OxyNitride","Strontium Gallium OxyNitride","","- Ga N3 O Sr4 -","- Ga N3 O Sr4 -","- Ga8 N24 O8 Sr32 -","8","1","","Mallinson, Phillip M.; Gál, Zoltán A.; Clarke, Simon J.","Two New Structurally Related Strontium Gallium Nitrides: Sr4GaN3O and Sr4GaN3(CN2)","Inorganic Chemistry","2006","45","1","419","423","10.1021/ic051542q","","x-ray","0.71073","MoKα","","0.06","0.0388","","","0.0868","0.0935","","","","","","1.094","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331816","10.62","0.0005","20.27","0.001","35.53","0.002","90","","90","","90","","7648.5","0.7","193.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H35 K N2 O14 Ru2 -","- C36 H35 K N2 O14 Ru2 -","- C288 H280 K8 N16 O112 Ru16 -","8","1","","Nakai, Misaki; Funabiki, Takuzo; Ohtsuki, Chikara; Harada, Masafumi; Ichimura, Akio; Tanaka, Rika; Kinoshita, Isamu; Mikuriya, Masahiro; Benten, Hiroaki; Ohkita, Hideo; Ito, Shinzaburo; Obata, Makoto; Yano, Shigenobu","Structure and Photochemical Properties of (μ-Alkoxo)bis(μ-carboxylato)diruthenium Complexes with Naphthylacetate Ligands","Inorganic Chemistry","2006","45","7","3048","3056","10.1021/ic051582u","","","0.7107","MoKα","","","0.0519","","","","0.1218","","","","","","1.131","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331841","13.131","0.003","14.177","0.003","16.71","0.003","90","","90","","90","","3110.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Mn2 N6 O6 -","- C34 H28 Mn2 N6 O6 -","- C136 H112 Mn8 N24 O24 -","4","0.5","","Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben","Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior","Inorganic Chemistry","2006","45","9","3538","3548","10.1021/ic051648l","","","0.71073","MoKα","","0.111","0.0346","","","0.0603","0.0696","","","","","","0.951","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331902","12.3765","0.0005","25.0429","0.0012","23.0517","0.0012","90","","90","","90","","7144.7","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Ba F18 N4 O12 S6 -","- C14 H18 Ba F18 N4 O12 S6 -","- C112 H144 Ba8 F144 N32 O96 S48 -","8","1","","Babai, Arash; Mudring, Anja-Verena","Homoleptic Alkaline Earth Metal Bis(trifluoromethanesulfonyl)imide Complex Compounds Obtained from an Ionic Liquid","Inorganic Chemistry","2006","45","8","3249","3255","10.1021/ic051820l","","","0.71073","MoKα","","0.0456","0.0281","","","0.0625","0.0691","","","","","","1.001","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331930","11.611","0.001","8.814","0.001","15.073","0.002","90","","90","","90","","1542.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H22 Cl2 O6 P2 -","- C8 H22 Cl2 O6 P2 -","- C32 H88 Cl8 O24 P8 -","4","0.5","","Moiseev, Dmitry; James, Brian R.; Patrick, Brian O.; Hu, Thomas Q.","New Oligophosphines and (Hydroxymethyl)phosphonium Chlorides","Inorganic Chemistry","2006","45","7","2917","2924","10.1021/ic0518935","","","0.71069","MoKα","","0.0647","0.0384","","","0.0841","0.0925","","","","","","1.056","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331938","23.9451","0.0011","7.4305","0.0006","27.368","0.002","90","","90","","90","","4869.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl N5 O6 -","- C20 H32 Cl N5 O6 -","- C160 H256 Cl8 N40 O48 -","8","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Kuznetsov, Maxim L.; Ryabov, Alexander D.; Galanski, Markus; Haukka, Matti; Tretyakov, Eugene V.; Ovcharenko, Victor I.; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.","Kinetic and Thermodynamic Aspects of the Regioselective Addition of Bifunctional Hydroxylaminooxime-type HO-Nucleophiles to Pt-Complexed Nitriles","Inorganic Chemistry","2006","45","5","2296","2306","10.1021/ic051909r","","","0.71073","MoKα","","0.097","0.0558","","","0.1164","0.1357","","","","","","1.047","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4331952","10.234","0.005","11.654","0.006","34.629","0.018","90","","90","","90","","4130","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H26 Cl N4 O6 Pt Tl -","- C10 H26 Cl N4 O6 Pt Tl -","- C80 H208 Cl8 N32 O48 Pt8 Tl8 -","8","1","","Chen, Wanzhi; Liu, Fenghui; Xu, Duanjun; Matsumoto, Kazuko; Kishi, Shinobu; Kato, Masako","Luminescent Amidate-Bridged One-Dimensional Platinum(II)−Thallium(I) Coordination Polymers Assembled via Metallophilic Attraction","Inorganic Chemistry","2006","45","14","5552","5560","10.1021/ic051932c","","","0.71073","MoKα","","0.1219","0.0915","","","0.1597","0.1886","","","","","","1.015","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4331989","18.4406","0.0003","20.4177","0.0003","23.5628","0.0003","90","","90","","90","","8871.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H30 Co N9 S6 -","- C45 H30 Co N9 S6 -","- C360 H240 Co8 N72 S48 -","8","1","","López-Torres, Elena; Mendiola, M. Antonia; Pastor, César J.","Crystal Structures of Triazine-3-thione Derivatives by Reaction with Copper and Cobalt Salts","Inorganic Chemistry","2006","45","7","3103","3112","10.1021/ic052009d","","","1.54178","CuKα","","0.0584","0.0455","","","0.1206","0.1297","","","","","","1.028","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332015","12.8641","0.0007","22.025","0.0012","23.7696","0.0013","90","","90","","90","","6734.7","0.6","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Ag2 F6 N8 O6 S6 -","- C20 H24 Ag2 F6 N8 O6 S6 -","- C160 H192 Ag16 F48 N64 O48 S48 -","8","1","","Silva, Rosalice M.; Smith, Mark D.; Gardinier, James R.","Anion- and Solvent-Directed Assembly in Silver Bis(thioimidazolyl)methane Chemistry and the Silver−Sulfur Interaction","Inorganic Chemistry","2006","45","5","2132","2142","10.1021/ic052025a","","","0.71073","MoKα","","0.0444","0.0391","","","0.0973","0.1005","","","","","","1.052","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332110","21.1337","0.0007","16.5669","0.0008","22.6324","0.0007","90","","90","","90","","7924.1","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H25 B Cl Cu F20 N4 -","- C39 H25 B Cl Cu F20 N4 -","- C312 H200 B8 Cl8 Cu8 F160 N32 -","8","1","","Hatcher, Lanying Q.; Vance, Michael A.; Narducci Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.","Copper−Dioxygen Adducts and the Side-on Peroxo Dicopper(II)/Bis(μ-oxo) Dicopper(III) Equilibrium: Significant Ligand Electronic Effects","Inorganic Chemistry","2006","45","7","3004","3013","10.1021/ic052185m","","","0.71073","MoKα","","0.0471","0.0381","","","0.0938","0.0992","","","","","","1.131","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332140","10.0805","0.0005","16.1725","0.0008","32.1388","0.0017","90","","90","","90","","5239.5","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl2 O11 Pd S3 -","- C20 H25 Cl2 O11 Pd S3 -","- C160 H200 Cl16 O88 Pd8 S24 -","8","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung","Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle","Inorganic Chemistry","2006","45","9","3487","3489","10.1021/ic060005i","","","0.71073","MoKα","","0.1132","0.0464","","","0.104","0.1418","","","","","","1.051","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332147","24.739","0.0002","24.71841","0.00019","24.7431","0.0002","90","","90","","90","","15130.6","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Zirconium pyrophosphate","Zirconium pyrophosphate","","- O7 P2 Zr -","- O7 P2 Zr -","- O756 P216 Zr108 -","108","13.5","","Birkedal, Henrik; Krogh Andersen, Anne Marie; Arakcheeva, Alla; Chapuis, Gervais; Norby, Poul; Pattison, Philip","The Room-Temperature Superstructure of ZrP2O7Is Orthorhombic: There Are No Unusual 180° P−O−P Bond Angles","Inorganic Chemistry","2006","45","11","4346","4351","10.1021/ic0600174","","","0.71073","synchrotron","","0.0645","0.0493","","","0.1522","0.1619","","","","","","1.082","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332176","7.8374","0.0016","19.451","0.004","19.6","0.004","90","","90","","90","","2987.9","1.1","163","2","163","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 N2 O6 P2 Pd2 S2 -","- C26 H28 N2 O6 P2 Pd2 S2 -","- C104 H112 N8 O24 P8 Pd8 S8 -","4","0.5","","Kim, Mieock; Picot, Alexandre; Gabbaï, François P.","Remarkably Efficient Hydrolysis of Methylparathion Catalyzed by [2-(2-Pyridyl)phenyl-C,N]palladium(II) Complexes","Inorganic Chemistry","2006","45","14","5600","5606","10.1021/ic0600578","","","0.71073","MoKα","","0.1139","0.0767","","","0.151","0.1658","","","","","","1.045","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332203","17.0878","0.0002","19.0063","0.0002","19.9227","0.0002","90","","90","","90","","6470.41","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6.65 H14 B10 I10 O2 S1.35 -","- C6.65 H14 B10 I10 O2 S1.35 -","- C53.2 H112 B80 I80 O16 S10.8 -","8","1","","Teixidor, Francesc; Barberà, Gemma; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","Synthesis of Boron-Iodinatedo-Carborane Derivatives. Water Stability of the Periodinated Monoprotic Salt","Inorganic Chemistry","2006","45","9","3496","3498","10.1021/ic060124y","","x-ray","0.71073","Mokα","","0.063","0.0318","","","0.0482","0.0535","","","","","","1.023","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332208","17.3157","0.0019","10.8344","0.0012","17.787","0.002","90","","90","","90","","3336.9","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N P S -","- C17 H26 N P S -","- C136 H208 N8 P8 S8 -","8","1","","Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies","Inorganic Chemistry","2006","45","11","4562","4570","10.1021/ic060127a","","","0.71073","MoKα","","0.0441","0.0338","","","0.0825","0.0887","","","","","","1.064","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332300","15.3815","0.0008","18.2475","0.0009","23.9239","0.0012","90","","90","","90","","6714.8","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Mn Mo2 N3 O6 S6 -","- C23 H36 Mn Mo2 N3 O6 S6 -","- C184 H288 Mn8 Mo16 N24 O48 S48 -","8","1","","Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark","Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+","Inorganic Chemistry","2006","45","10","4284","4302","10.1021/ic060205u","","","0.71073","MoKα","","0.0789","0.0512","","","0.1172","0.1434","","","","","","1.162","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332357","28.276","0.004","23.61","0.004","13.933","0.003","90","","90","","90","","9302","3","296.1","","","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C85 H87 B2 Cl7 F8 O P8 Pd2 Pt -","- C85 H84 B2 Cl7 F8 O P8 Pd2 Pt -","- C340 H336 B8 Cl28 F32 O4 P32 Pd8 Pt4 -","4","0.5","","Aizawa, Sen-ichi; Saito, Kenji; Kawamoto, Tatsuya; Matsumoto, Emi","Stereoselective Preparation, Structures, and Reactivities of Phosphine-Bridged Mixed-Metal Trinuclear and Pentanuclear Complexes with Tris[2-(diphenylphosphino)ethyl]phosphine","Inorganic Chemistry","2006","45","12","4859","4866","10.1021/ic060277l","","","0.7107","MoKα","","","0.075","","","","0.117","","","","","","2.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332373","11.5453","0.0015","17.8984","0.0014","24.843","0.003","90","","90","","90","","5133.6","1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl4 N4 O3 Ti2 -","- C18 H38 Cl4 N4 O3 Ti2 -","- C144 H304 Cl32 N32 O24 Ti16 -","8","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.0945","0.0428","","","0.0722","0.0847","","","","","","0.94","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332374","8.598","0.005","12.572","0.004","28.968","0.019","90","","90","","90","","3131","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl2 N3 O Zr -","- C11 H25 Cl2 N3 O Zr -","- C88 H200 Cl16 N24 O8 Zr8 -","8","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.1263","0.063","","","0.1088","0.1246","","","","","","1.035","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332376","13.485","0.005","19.862","0.005","16.344","0.005","90","","90","","90","","4378","2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 Cl N4 O Zr -","- C17 H39 Cl N4 O Zr -","- C136 H312 Cl8 N32 O8 Zr8 -","8","1","","Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian","Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane","Inorganic Chemistry","2006","45","16","6516","6522","10.1021/ic060302n","","","0.71073","MoKα","","0.1215","0.066","","","0.1008","0.115","","","","","","1.043","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332423","23.387","0.004","19.441","0.003","24.101","0.004","90","","90","","90","","10958","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Er2 N16 O24 -","- C42 H46 Er2 N16 O24 -","- C336 H368 Er16 N128 O192 -","8","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.1976","0.0461","","","0.0676","0.0914","","","","","","0.738","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332424","23.496","0.01","19.495","0.008","24.189","0.01","90","","90","","90","","11080","8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 N16 O24 Tm2 -","- C42 H46 N16 O24 Tm2 -","- C336 H368 N128 O192 Tm16 -","8","1","","del C. Fernández-Fernández, M.; Bastida, R.; Macías, A.; Pérez-Lourido, P.; Platas-Iglesias, C.; Valencia, L.","Lanthanide(III) Complexes with a Tetrapyridine Pendant-Armed Macrocyclic Ligand: 1H NMR Structural Determination in Solution, X-ray Diffraction, and Density-Functional Theory Calculations","Inorganic Chemistry","2006","45","11","4484","4496","10.1021/ic0603508","","","0.71073","MoKα","","0.2232","0.0991","","","0.2051","0.2571","","","","","","0.942","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332454","12.5343","0.0008","20.9472","0.0014","25.084","0.0017","90","","90","","90","","6586","0.8","147","2","147","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H34 K2 Mo N2 O7 -","- C36 H34 K2 Mo N2 O7 -","- C288 H272 K16 Mo8 N16 O56 -","8","1","","Liu, Lihua; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Watson, William H.; Hanna, Tracy A.","Molybdocalixarene Structure Control via Rim Deprotonation. Synthesis, Characterization, and Crystal Structures of Calix[4]arene Mo(VI) Monooxo Complexes and Calix[4]arene Alkali Metal/Mo(VI) Dioxo Complexes","Inorganic Chemistry","2006","45","10","4247","4260","10.1021/ic060404d","","","0.71073","MoKα","","0.0733","0.052","","","0.1532","0.1658","","","","","","1.138","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332543","7.596","0.003","24.397","0.006","28.642","0.006","90","","90","","90","","5308","3","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Hg2Cl4(L4)]","","- C24 H21 Cl4 Hg2 N3 O3 -","- C24 H21 Cl4 Hg2 N3 O3 -","- C192 H168 Cl32 Hg16 N24 O24 -","8","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.0735","0.0513","","","0.1157","0.1252","","","","","","1.05","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332544","7.7648","0.0018","25.174","0.006","28.672","0.005","90","","90","","90","","5605","2","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Hg2Br4(L4)]","","- C24 H21 Br4 Hg2 N3 O3 -","- C24 H21 Br4 Hg2 N3 O3 -","- C192 H168 Br32 Hg16 N24 O24 -","8","1","","Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Syntheses, Structures, and Photoluminescence Properties of Metal(II) Halide Complexes with Pyridine-Containing Flexible Tripodal Ligands","Inorganic Chemistry","2006","45","21","8523","8532","10.1021/ic060493u","","","0.71075","MoKα","","0.0894","0.057","","","0.1247","0.1383","","","","","","1.044","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332639","7.3055","0.001","17.923","0.004","17.977","0.004","90","","90","","90","","2353.8","0.8","102","","102","","","","","","","","local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cl2 N4 Pt -","- C10 H10 Cl2 N4 Pt -","- C80 H80 Cl16 N32 Pt8 -","8","1","","Maheshwari, Vidhi; Bhattacharyya, Debadeep; Fronczek, Frank R.; Marzilli, Patricia A.; Marzilli, Luigi G.","Chemistry of HIV-1 Virucidal Pt Complexes Having Neglected Bidentate sp2N-Donor Carrier Ligands with Linked Triazine and Pyridine Rings. Synthesis, NMR Spectral Features, Structure, and Reaction with Guanosine","Inorganic Chemistry","2006","45","18","7182","7190","10.1021/ic060605h","","","0.71073","MoKα","","0.05","0.029","","","0.055","0.06","","","","","","1.022","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332691","15.62","0.002","16.41","0.002","22.386","0.003","90","","90","","90","","5738.1","1.3","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 F18 N3 P -","- C27 H15 F18 N3 P -","- C216 H120 F144 N24 P8 -","8","1","","Han, Hua; Elsmaili, Mona; Johnson, Samuel A.","Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes","Inorganic Chemistry","2006","45","18","7435","7445","10.1021/ic060692d","","","0.71073","MoKα","","0.0767","0.0654","","","0.1741","0.1871","","","","","","1.052","","","","has coordinates,has disorder","179429","2020-10-21","18:00:00",""
"4332718","11.5876","0.0006","9.4479","0.0005","13.1804","0.001","90","","90","","90","","1442.97","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cl Cu N2 -","- C6 H8 Cl Cu N2 -","- C48 H64 Cl8 Cu8 N16 -","8","1","","Jess, Inke; Näther, Christian","Investigations on the Synthesis, Structures, and Properties of New Copper(I) 2,3-Dimethylpyrazine Coordination Compounds","Inorganic Chemistry","2006","45","18","7446","7454","10.1021/ic060747b","","","0.71073","MoKα","","0.0402","0.029","","","0.0735","0.0779","","","","","","1.014","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332736","13.635","0.002","13.746","0.002","23.788","0.004","90","","90","","90","","4458.5","1.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 F6 N5 O3 P Re S2 -","- C14 H15 F6 N5 O3 P Re S2 -","- C112 H120 F48 N40 O24 P8 Re8 S16 -","8","1","","Silva, Rosalice M.; Liddle, Brendan J.; Lindeman, Sergey J.; Smith, Mark D.; Gardinier, James R.","Ligand-Promoted Solvent-Dependent Ionization and Conformational Equilibria of Re(CO)3Br[CH2(S-tim)2] (tim = 1-methylthioimidazolyl). Crystal Structures of Re(CO)3Br[CH2(S-tim)2] and {Re(CO)3(CH3CN)[CH2(S-tim)2]}(PF6)","Inorganic Chemistry","2006","45","17","6794","6802","10.1021/ic060765t","","","0.71073","MoKα","","0.0225","0.0184","","","0.044","0.0453","","","","","","1.033","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332792","20.846","0.004","19.909","0.004","28.145","0.006","90","","90","","90","","11681","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 Ga K N4 Si4 Sn -","- C46 H90 Ga K N4 Si4 Sn -","- C368 H720 Ga8 K8 N32 Si32 Sn8 -","8","1","","Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas","Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies","Inorganic Chemistry","2006","45","18","7242","7251","10.1021/ic060851t","","","0.71073","MoKα","","0.0569","0.0368","","","0.0745","0.0814","","","","","","1.021","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4332831","13.3524","0.0011","13.7083","0.0011","18.6955","0.0016","90","","90","","90","","3422","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 F10 N6 P6 -","- C30 H20 F10 N6 P6 -","- C120 H80 F40 N24 P24 -","4","0.5","","Kumar, Muthiah Senthil; Upreti, Shailesh; Elias, Anil J.","Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles: Reagents for Assembly of Aryl-Bridged Fluorophosphazenes","Inorganic Chemistry","2006","45","19","7835","7842","10.1021/ic0609204","","","0.71073","MoKα","","0.0435","0.0395","","","0.1121","0.1157","","","","","","1.006","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332938","11.4848","0.0007","16.6537","0.0009","18.2556","0.0011","90","","90","","90","","3491.6","0.4","300","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H52 Cu2 N6 O14 P2 -","- C24 H40 Cu2 N6 O14 P2 -","- C96 H160 Cu8 N24 O56 P8 -","4","0.5","","Barker, Julia E.; Liu, Yu; Yee, Gordon T.; Chen, Wei-Zhong; Wang, Guangbin; Rivera, Vilma M.; Ren, Tong","Cu2{[18]ane-N6} Complexes: Structures, Magnetism, and Phosphate Monoester Binding","Inorganic Chemistry","2006","45","19","7973","7980","10.1021/ic0611140","","","0.71073","MoKα","","0.0929","0.05","","","0.1228","0.1344","","","","","","1.03","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332963","11.3657","0.0008","7.7206","0.0006","24.7787","0.0018","90","","90","","90","","2174.3","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-picolyl)-4-nitroaniline","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0696","0.0586","","","0.1394","0.147","","","","","","1.082","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332978","12.1012","0.0007","12.2827","0.001","12.6578","0.0005","90","","90","","90","","1881.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Gd Na O10 -","- C5 H6 Gd Na O10 -","- C40 H48 Gd8 Na8 O80 -","8","1","","Cañadillas-Delgado, Laura; Pasán, Jorge; Fabelo, Oscar; Hernández-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Two- and Three-Dimensional Networks of Gadolinium(III) with Dicarboxylate Ligands: Synthesis, Crystal Structure, and Magnetic Properties","Inorganic Chemistry","2006","45","26","10585","10594","10.1021/ic061173d","","x-ray","0.71073","MoKα","","0.0725","0.0328","","","0.0442","0.0494","","","","","","1.031","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4332992","13.8069","0.0007","8.4987","0.0006","21.1668","0.001","90","","90","","90","","2483.7","0.2","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Bi O -","- C14 H15 Bi O -","- C112 H120 Bi8 O8 -","8","1","","Roggan, Stefan; Limberg, Christian; Ziemer, Burkhard; Siemons, Maike; Simon, Ulrich","Reactivity and Properties of [−O−BiIII...OMo−]nChains","Inorganic Chemistry","2006","45","22","9020","9031","10.1021/ic061198c","","","0.71073","MoKα","","0.048","0.0278","","","0.0456","0.0494","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333000","15.531","0.002","13.37","0.002","17.639","0.003","90","","90","","90","","3662.7","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 F6 N10 O6 S2 -","- C30 H22 Ag2 F6 N10 O6 S2 -","- C120 H88 Ag8 F24 N40 O24 S8 -","4","0.5","","Chi, Ying-Nan; Huang, Kun-Lin; Cui, Feng-Yun; Xu, Yan-Qing; Hu, Chang-Wen","Structural Diversity of Silver(I) 4,6-Dipyridyl-2-Aminopyrimidine Complexes: Effect of Counteranions and Ligand Isomerism","Inorganic Chemistry","2006","45","26","10605","10612","10.1021/ic061231v","","","0.71073","MoKα","","0.0639","0.0429","","","0.1063","0.1251","","","","","","1.084","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333052","27.695","0.002","22.43","0.002","30.293","0.003","90","","90","","90","","18818","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H85 Mn7 N8 O25 -","- C92 H70 Mn7 N3 O25 -","- C736 H560 Mn56 N24 O200 -","8","1","","Mishra, Abhudaya; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George","[Mn7O5(OR)2(O2CPh)9(terpy)] (R = Me, CH2Ph) Complexes with a Fused Cubane/Butterfly Core and anS= 6 Ground-State Spin","Inorganic Chemistry","2006","45","25","10197","10206","10.1021/ic061334d","","","0.71073","MoKα","","0.1211","0.0574","","","0.1221","0.1402","","","","","","0.876","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333088","16.3674","0.0002","23.736","0.0003","25.0897","0.0003","90","","90","","90","","9747.3","0.2","93","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 N4 O44 Pd2 Si W12 -","- C4 N4 O44 Pd2 Si W12 -","- C32 N32 O352 Pd16 Si8 W96 -","8","1","","Uehara, Kazuhiro; Nakao, Hideaki; Kawamoto, Ryosuke; Hikichi, Shiro; Mizuno, Noritaka","2D-Grid Layered Pd-Based Cationic Infinite Coordination Polymer/Polyoxometalate Crystal with Hydrophilic Sorption","Inorganic Chemistry","2006","45","23","9448","9453","10.1021/ic061393r","","","0.71069","MoKα","","","0.063","","","","0.1955","","","","","","1.097","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333091","27.3739","0.0008","17.4606","0.0005","28.0152","0.0008","90","","90","","90","","13390.3","0.7","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H69 N2 Ni P3 S4 Si3 -","- C67 H69 N2 Ni P3 S4 Si3 -","- C536 H552 N16 Ni8 P24 S32 Si24 -","8","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.1163","0.0896","","","0.1983","0.2166","","","","","","1.183","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333094","27.6146","0.0004","17.357","0.0002","27.9427","0.0004","90","","90","","90","","13393.1","0.3","150","1","150","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C69 H76 N2 Ni O P3 S3 Si3 -","- C69 H76 N2 Ni O P3 S3 Si3 -","- C552 H608 N16 Ni8 O8 P24 S24 Si24 -","8","1","","Lee, Chien-Ming; Chuang, Ya-Lan; Chiang, Chao-Yi; Lee, Gene-Hsiang; Liaw, Wen-Feng","Mononuclear Ni(III) Complexes [NiIII(L)(P(C6H3-3-SiMe3-2-S)3)]0/1-(L = Thiolate, Selenolate, CH2CN, Cl, PPh3): Relevance to the Nickel Site of [NiFe] Hydrogenases","Inorganic Chemistry","2006","45","26","10895","10904","10.1021/ic061399g","","","0.71073","MoKα","","0.109","0.0528","","","0.1242","0.1468","","","","","","1.007","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333151","8.6127","0.0003","27.0926","0.001","29.4857","0.0011","90","","90","","90","","6880.2","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Fe O4 P Se -","- C13 H19 Fe O4 P Se -","- C208 H304 Fe16 O64 P16 Se16 -","16","2","","Liu, C. W.; Chen, Jem-Min; Santra, Bidyut Kumar; Wen, Sung-Yin; Liaw, Ben-Jie; Wang, Ju-Chun","Novel Metalloreagent Cp(CO)2FeP(Se)(OR)2Produced from P−Se Bond Cleavage in the Thermal Reaction of [CpFe(CO)2]2with Phosphor-1,1-diselenolates","Inorganic Chemistry","2006","45","22","8820","8822","10.1021/ic061538u","","","0.71073","MoKα","","0.1227","0.0425","","","0.0865","0.1109","","","","","","0.971","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333187","12.546","0.003","23.138","0.005","23.471","0.005","90","","90","","90","","6813","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Ag4 N12 O40 Si W12 -","- C36 H48 Ag4 N12 O40 Si W12 -","- C144 H192 Ag16 N48 O160 Si4 W48 -","4","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Zheng, Pei-Qing; Long, Yu-Xiang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of Polyoxometalates-Based Coordination Polymers through Direct Incorporation between Polyoxometalates and the Voids in a 2D Network","Inorganic Chemistry","2006","45","26","10702","10711","10.1021/ic061664y","","","0.71073","MoKα","","0.097","0.0965","","","0.2016","0.2018","","","","","","1.32","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333260","9.4515","0.0005","14.2276","0.0008","20.1329","0.0011","90","","90","","90","","2707.3","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Cl2 N5 Zn -","- C11 H9 Cl2 N5 Zn -","- C88 H72 Cl16 N40 Zn8 -","8","1","","Chen, Chih-Yuan; Cheng, Pi-Yun; Wu, Hsin-Hsuan; Lee, Hon Man","Conformational Effect of 2,6-Bis(imidazol-1-yl)pyridine on the Self-Assembly of 1D Coordination Chains: Spontaneous Resolution, Supramolecular Isomerism, and Structural Transformation","Inorganic Chemistry","2007","46","14","5691","5699","10.1021/ic700428e","","x-ray","0.71073","MoKα","","0.0268","0.0222","","","0.0593","0.0611","","","","","","1.036","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333304","20.2463","0.0011","19.9394","0.0011","24.988","0.0013","90","","90","","90","","10087.6","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cu4 I4 O6 S4 -","- C44 H52 Cu4 I4 O6 S4 -","- C352 H416 Cu32 I32 O48 S32 -","8","1","","Lee, Jai Young; Lee, So Young; Seo, Joobeom; Park, Chul Soon; Go, Jung Nam; Sim, Wonbo; Lee, Shim Sung","Calix[4]bis(thiacrown): assembly of an endocyclic disilver(I) complex and exocyclic 3D copper(I) coordination polymers.","Inorganic chemistry","2007","46","16","6221","6223","10.1021/ic7005875","","","0.71073","MoKα","","0.1007","0.0545","","","0.0959","0.113","","","","","","1.133","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333311","13.267","0.003","8.7549","0.0018","14.685","0.003","90","","90","","90","","1705.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Co2 N4 O12 -","- C12 H12 Co2 N4 O12 -","- C48 H48 Co8 N16 O48 -","4","0.5","","Sun, Wei-Wei; Cheng, Ai-Ling; Jia, Qin-Xiang; Gao, En-Qing","Metal-coordination-directed assembly of binuclear trigonal prisms and three-dimensional hydrogen-bonded networks.","Inorganic chemistry","2007","46","14","5471","5473","10.1021/ic700610p","","","0.71073","MoKα","","0.0576","0.0327","","","0.0476","0.0502","","","","","","0.843","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333328","8.4451","0.0002","10.8058","0.0004","13.5406","0.0005","90","","90","","90","","1235.66","0.07","293","2","293","2","","","","","","","hydrothermal synthesis","5","P b c a","-P 2ac 2ab","61","","Potassium uranyl sulfate hydroxide","","- H K O7 S U -","- H K O7 S U -","- H8 K8 O56 S8 U8 -","8","1","","Forbes, Tori Z.; Goss, Valerie; Jain, Meha; Burns, Peter C.","Structure determination and infrared spectroscopy of K(UO2)(SO4)(OH)(H2O) and K(UO2)(SO4)(OH).","Inorganic chemistry","2007","46","17","7163","7168","10.1021/ic700691k","","x-ray","0.71073","MoKα","","0.0236","0.0206","","","0.0479","0.0489","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333375","10.308","0.0004","18.2252","0.0007","38.2076","0.0014","90","","90","","90","","7177.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H43 F10 N3 O2 Pd -","- C34 H38 F10 N3 O2 Pd -","- C272 H304 F80 N24 O16 Pd8 -","8","1","","Ruiz, José; Villa, María Dolores; Rodríguez, Venancio; Cutillas, Natalia; Vicente, Consuelo; López, Gregorio; Bautista, Delia","A Novel Metal-Binding Mode of Thymine Nucleobases: N(3) and O(4) Chelation†","Inorganic Chemistry","2007","46","14","5448","5449","10.1021/ic700843s","","","0.71073","MoKα","","0.1504","0.1241","","","0.3089","0.328","","","","","","1.068","","","","has coordinates,has disorder","179436","2020-10-21","18:00:00",""
"4333376","10.1862","0.0005","17.8341","0.0009","38.0036","0.0019","90","","90","","90","","6903.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H47 F6 N3 O2 Pd -","- C34 H47 F6 N3 O2 Pd -","- C272 H376 F48 N24 O16 Pd8 -","8","1","","Ruiz, José; Villa, María Dolores; Rodríguez, Venancio; Cutillas, Natalia; Vicente, Consuelo; López, Gregorio; Bautista, Delia","A Novel Metal-Binding Mode of Thymine Nucleobases: N(3) and O(4) Chelation†","Inorganic Chemistry","2007","46","14","5448","5449","10.1021/ic700843s","","","0.71073","MoKα","","0.0889","0.0752","","","0.1871","0.1954","","","","","","1.008","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333443","20.146","0.002","10.6201","0.0013","20.869","0.003","90","","90","","90","","4465","1","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Cl4 N4 Ni S2 -","- C15 H24 Cl4 N4 Ni S2 -","- C120 H192 Cl32 N32 Ni8 S16 -","8","1","","Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard","Applications of bis(1-R-imidazol-2-yl)disulfides and diselenides as ligands for main-group and transition metals: kappa2-(N,N) coordination, S-S bond cleavage, and S-S/E-E (E = S, Se) bond metathesis reactions.","Inorganic chemistry","2007","46","22","9234","9244","10.1021/ic701228y","","","0.71073","MoKα","","0.0808","0.0378","","","0.0759","0.092","","","","","","1.022","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333647","13.049","0.003","13.957","0.003","18.266","0.004","90","","90","","90","","3326.7","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(HMQ)2Bi2Cl10","(HMQ)2Bi2Cl10","","- C22 H24 Bi2 Cl10 N4 O0 -","- C22 H24 Bi2 Cl10 N4 -","- C88 H96 Bi8 Cl40 N16 -","4","0.5","","Rong-Guang Lin; Gang Xu; Ming-Sheng Wang; Gang Lu; Pei-Xin Li; Guo-Cong Guo","Improved Photochromic Properties on Viologen-Based Inorganic-Organic Hybrids by Using π-Conjugated Substituents as Electron Donors and Stabilizers","Inorganic Chemistry","2013","52","","1199","1205","10.1021/ic301181b","","","0.71073","MoKα","","0.0441","0.0432","","","0.0889","0.0893","","","","","","1.374","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333730","21.8239","0.0012","18.8675","0.001","25.0854","0.0014","90","","90","","90","","10329.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(disilox)4CrNa(thf)","","","- C40 H92 Cr Na O5 Si4 -","- C40 H92 Cr Na O5 Si4 -","- C320 H736 Cr8 Na8 O40 Si32 -","8","1","","Michael P. Marshak; Daniel G. Nocera","Chromium(IV) Siloxide","Inorganic Chemistry","2013","52","","1173","1175","10.1021/ic3023612","","","0.71073","MoKα","","0.0694","0.0433","","","0.1042","0.1217","","","","","","1.052","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333736","13.693","0.011","18.134","0.015","26.76","0.02","90","","90","","90","","6645","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","LHL20106","","","- C24 H58 Cl2 N2 P4 Ru -","- C24 H58 Cl2 N2 P4 Ru -","- C192 H464 Cl16 N16 P32 Ru8 -","8","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0359","0.0258","","","0.0563","0.0608","","","","","","1.047","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333763","15.8975","0.0009","22.4576","0.0012","30.9214","0.0017","90","","90","","90","","11039.5","1.1","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H80 Fe K N4 O10 Si2 -","- C44 H80 Fe K N4 O10 Si2 -","- C352 H640 Fe8 K8 N32 O80 Si16 -","8","1","","Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw","Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif","Inorganic Chemistry","2013","52","","1631","1639","10.1021/ic302537d","","","0.71073","MoKα","","0.086","0.0505","","","0.1194","0.1386","","","","","","1.014","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333769","6.9727","0.0016","18.497","0.004","24.123","0.006","90","","90","","90","","3111.2","1.2","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N5 -","- C19 H15 N5 -","- C152 H120 N40 -","8","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.7107","MoKα","","","0.072","","","","0.1878","","","","","","1.204","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333791","9.43","0.003","14.241","0.005","15.465","0.005","90","","90","","90","","2076.8","1.2","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Cl6 N4 Sn -","- C12 H22 Cl6 N4 Sn -","- C48 H88 Cl24 N16 Sn4 -","4","0.5","","Matthew Currie; Julien Estager; Peter Licence; Shuang Men; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Cécile Terrade","Chlorostannate(II) Ionic Liquids: Speciation, Lewis Acidity, and Oxidative Stability","Inorganic Chemistry","2013","52","","1710","1721","10.1021/ic300241p","","","0.71075","MOKα","","0.0395","0.0319","","","0.1212","0.1283","","","","","","0.939","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333795","12.413","0.0002","20.2421","0.0003","23.485","0.0004","90","","90","","90","","5900.96","0.16","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H35 Cl4 N4 O P Ru -","- C28 H35 Cl4 N4 O P Ru -","- C224 H280 Cl32 N32 O8 P8 Ru8 -","8","1","","Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost","Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration","Inorganic Chemistry","2013","52","","1737","1746","10.1021/ic301160x","","","0.71073","MoKα","","0.0578","0.0381","","","0.0764","0.0848","","","","","","1.057","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333851","26.8431","0.0013","16.8269","0.0008","33.796","0.0016","90","","90","","90","","15265.2","1.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H92 N29 Nd O43 -","- C46 H48 N29 Nd O26 -","- C368 H384 N232 Nd8 O208 -","8","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0717","0.0509","","","0.1473","0.1583","","","","","","1.09","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333988","6.725","0.003","17.608","0.008","29.805","0.013","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H27 Co Si -","- C20 H27 Co Si -","- C160 H216 Co8 Si8 -","8","1","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0585","0.0378","","","0.0885","0.0988","","","","","","1.031","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334002","15.3325","0.0006","16.0776","0.0006","21.1873","0.0008","90","","90","","90","","5222.9","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H6 Ni O13 Ru5 -","- C20 H6 Ni O13 Ru5 -","- C160 H48 Ni8 O104 Ru40 -","8","1","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.0264","0.0221","","","0.0536","0.0568","","","","","","1.103","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334033","7.76484","0.00016","14.4294","0.0003","36.7708","0.0008","90","","90","","90","","4119.87","0.15","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Cl2 N3 V -","- C21 H22 Cl2 N3 V -","- C168 H176 Cl16 N24 V8 -","8","1","","Kotohiro Nomura; Atsushi Igarashi; Shohei Katao; Wenjuan Zhang; Wen-Hua Sun","Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization","Inorganic Chemistry","2013","52","","2607","2614","10.1021/ic302633y","","","0.71075","MoKα","","","0.0412","","","","0.122","","","","","","1.082","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334045","29.4889","0.0009","28.588","0.0006","29.7538","0.0008","90","","90","","90","","25083.3","1.1","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C162 Cl20 N8 O80 Pd4 Si2 W20 -","- C162 Cl20 N8 O80 Pd4 Si2 W20 -","- C648 Cl80 N32 O320 Pd16 Si8 W80 -","4","0.5","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.103","","","","0.3242","","","","","","1.052","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334048","30.0423","0.0004","28.7748","0.0003","30.1121","0.0004","90","","90","","90","","26030.7","0.6","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C162 Cl20 N8 O80 Pd4 Si2 W20 -","- C162.04 Cl20 N8 O80 Pd4 Si2 W20 -","- C648.16 Cl80 N32 O320 Pd16 Si8 W80 -","4","0.5","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.1158","","","","0.3119","","","","","","1.084","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334050","18.7441","0.0011","12.5597","0.0007","21.6594","0.0014","90","","90","","90","","5099.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H80 Li2 N2 -","- C56 H80 Li2 N2 -","- C224 H320 Li8 N8 -","4","0.5","","Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays","Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands","Inorganic Chemistry","2013","52","","2678","2683","10.1021/ic302727w","","","1.54184","CuKα","","0.0902","0.0638","","","0.156","0.167","","","","","","0.95","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334104","6.7945","0.0004","12.5409","0.0012","33.507","0.002","90","","90","","90","","2855.1","0.4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 F Hg N3 O -","- C11 H8 Br2 F Hg N3 O -","- C88 H64 Br16 F8 Hg8 N24 O8 -","8","1","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.2127","0.1787","","","0.3595","0.3798","","","","","","1.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334157","19.3953","0.0006","23.6891","0.0007","26.5521","0.001","90","","90","","90","","12199.6","0.7","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cu2 N8 O41 Si W12 -","- C32 H44 Cu2 N8 O41 Si W12 -","- C256 H352 Cu16 N64 O328 Si8 W96 -","8","1","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","x-ray","0.71073","MoKα","","0.0925","0.059","","","0.1065","0.1119","","","","","","1.091","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334159","19.2671","0.0003","23.9764","0.0004","26.6345","0.0005","90","","90","","90","","12304","0.4","423","2","423","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C32 H40 Cu2 N8 O40 Si W12 -","- C32 H40 Cu2 N8 O40 Si W12 -","- C256 H320 Cu16 N64 O320 Si8 W96 -","8","1","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","","0.71073","MoKα","","0.0804","0.0678","","","0.1285","0.1334","","","","","","1.31","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334161","19.4645","0.0002","23.77","0.0003","26.6287","0.0003","90","","90","","90","","12320.3","0.2","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cu2 N8 O41 Si W12 -","- C32 H44 Cu2 N8 O41 Si W12 -","- C256 H352 Cu16 N64 O328 Si8 W96 -","8","1","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","","0.71073","MoKα","","0.0765","0.0636","","","0.106","0.1101","","","","","","1.258","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334173","18.5482","0.0007","22.6173","0.001","22.8902","0.0008","90","","90","","90","","9602.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C173 H201.4 Eu4 N24 O60.2 P8 -","- C173 H201.4 Eu4 N24 O60.2 P8 -","- C346 H402.8 Eu8 N48 O120.4 P16 -","2","0.25","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1149","0.0619","","","0.136","0.1625","","","","","","1.031","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334174","22.5122","0.001","18.6045","0.0008","22.7679","0.001","90","","90","","90","","9535.8","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H45 N6 O14 P2 Pr -","- C41 H45 N6 O14 P2 Pr -","- C328 H360 N48 O112 P16 Pr8 -","8","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0546","0.0367","","","0.0956","0.1017","","","","","","1.136","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334408","13.4672","0.0015","14.7999","0.0016","25.154","0.003","90","","90","","90","","5013.5","1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H39 Br O2 P2 Pt -","- C20 H39 Br O2 P2 Pt -","- C160 H312 Br8 O16 P16 Pt8 -","8","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0249","0.0209","","","0.0527","0.0544","","","","","","1.099","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334409","11.585","0.003","15.156","0.004","30.722","0.009","90","","90","","90","","5394","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Br3 O2 P2 Pt -","- C20 H37 Br3 O2 P2 Pt -","- C160 H296 Br24 O16 P16 Pt8 -","8","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0909","0.0664","","","0.1379","0.1537","","","","","","1.053","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334431","17.744","0.003","9.3401","0.0015","25.063","0.004","90","","90","","90","","4153.7","1.2","150","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H34 F24 N8 P4 -","- C1.76271 H2.30508 F1.62712 N0.542373 P0.271186 -","- C104 H136 F96 N32 P16 -","59","7.375","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.1479","0.0814","","","0.2323","0.2987","","","","","","1.005","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334529","27.452","0.002","17.552","0.0014","27.756","0.003","90","","90","","90","","13374","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H67 N Ni P3 S5 Si3 -","- C64 H67 N Ni P3 S5 Si3 -","- C512 H536 N8 Ni8 P24 S40 Si24 -","8","1","","Kuan-Ting Lai; Wei-Chieh Ho; Tzung-Wen Chiou; Wen-Feng Liaw","Formation of [NiIII(κ1-S2CH)(P(o-C6H3-3-SiMe3-2-S)3)]-via CS2 Insertion into Nickel(III) Hydride Containing [NiIII(H)(P(o-C6H3-3-SiMe3-2-S)3)]-","Inorganic Chemistry","2013","52","","4151","4153","10.1021/ic400293k","","","0.71073","MoKα","","0.0512","0.0373","","","0.0938","0.0992","","","","","","1.055","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334641","13.593","0.008","15.802","0.01","28.423","0.017","90","","90","","90","","6105","6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H24 Cl3 F6 N6 O P Ru -","- C24 H20 Cl F6 N6 P Ru -","- C192 H160 Cl8 F48 N48 P8 Ru8 -","8","1","","Mohamed Dakkach; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Isabel Romero; Montserrat Rodríguez","New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2013","52","","5077","5087","10.1021/ic302863h","","","0.71073","MoKα","","0.1705","0.1019","","","0.2634","0.298","","","","","","1.01","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334658","12","0.006","10.204","0.005","12.936","0.006","90","","90","","90","","1584","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H11 Cl2 P -","- C4 H11 Cl2 P -","- C32 H88 Cl16 P8 -","8","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.078","0.072","","","0.1841","0.1923","","","","","","1.078","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334665","12.9646","0.0004","15.2875","0.0004","16.3211","0.0012","90","","90","","90","","3234.8","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl4 P2 Si -","- C10 H16 Cl4 P2 Si -","- C80 H128 Cl32 P16 Si8 -","8","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71073","MoKα","","0.0269","0.0242","","","0.0603","0.0614","","","","","","1.095","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334676","12.6909","0.0005","16.7821","0.0007","18.7192","0.0007","90","","90","","90","","3986.8","0.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)amino(isothiocyanato)phosphenium tetrachlorogallate","","- C7 H18 Cl4 Ga N2 P S Si2 -","- C7 H18 Cl4 Ga N2 P S Si2 -","- C56 H144 Cl32 Ga8 N16 P8 S8 Si16 -","8","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0719","0.0333","","","0.0654","0.0723","","","","","","1.004","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334724","10.7214","0.0006","11.3118","0.0006","34.7526","0.0019","90","","90","","90","","4214.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H38 N5 Ni O2 -","- C18 H34 N4 Ni O2 -","- C144 H272 N32 Ni8 O16 -","8","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0411","0.0327","","","0.1446","0.1534","","","","","","1.266","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334725","10.7993","0.0017","11.3336","0.0018","34.616","0.005","90","","90","","90","","4236.8","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Co N4 O2 -","- C18 H34 Co N4 O2 -","- C144 H272 Co8 N32 O16 -","8","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0488","0.0372","","","0.1327","0.1445","","","","","","1.126","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334734","8.4968","0.0005","20.443","0.0012","28.4906","0.0013","90","","90","","90","","4948.8","0.5","150","0.02","150","0.02","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Mo N2 O4 -","- C26 H28 Mo N2 O4 -","- C208 H224 Mo8 N16 O32 -","8","1","","Isaac R. Corn; Pablo D. Astudillo-Sánchez; Michael J. Zdilla; Phillip E. Fanwick; Michael J. Shaw; Jeffrey T. Miller; Dennis H. Evans; Mahdi M. Abu-Omar","Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand","Inorganic Chemistry","2013","52","","5457","5463","10.1021/ic400348j","","","1.54184","CU-Kα","","0.063","0.057","","","0.158","0.167","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334818","19.22","0.012","11.524","0.007","21.878","0.014","90","","90","","90","","4846","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe S2 Se2 -","- C26 H26 Fe S2 Se2 -","- C208 H208 Fe8 S16 Se16 -","8","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0471","0.0294","","","0.0625","0.0663","","","","","","1.088","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334847","18.4113","0.0005","18.8566","0.0005","26.4263","0.0006","90","","90","","90","","9174.5","0.4","100","2","99.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H34 B2 F12 P2 Pt S2 -","- C40 H34 B2 F12 P2 Pt S2 -","- C320 H272 B16 F96 P16 Pt8 S16 -","8","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54184","CuKα","","0.0848","0.0778","","","0.166","0.1686","","","","","","1.2","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334978","22.5833","0.0014","21.4733","0.0014","45.431","0.003","90","","90","","90","","22031","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H44 O Os P2 -","- C27 H44 O Os P2 -","- C864 H1408 O32 Os32 P64 -","32","4","","Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia","POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes","Inorganic Chemistry","2013","52","","6199","6213","10.1021/ic400730a","","","0.71073","MoKα","","0.092","0.0377","","","0.0611","0.075","","","","","","1.02","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4335025","14.4789","0.0015","17.4808","0.0018","22.085","0.002","90","","90","","90","","5589.8","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H40 Eu N2 Si -","- C30 H40 Eu N2 Si -","- C240 H320 Eu8 N16 Si8 -","8","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0833","0.0331","","","0.0656","0.0816","","","","","","0.987","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335026","14.4602","0.0011","17.4472","0.0013","22.0605","0.0016","90","","90","","90","","5565.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H40 N2 Si Sm -","- C30 H40 N2 Si Sm -","- C240 H320 N16 Si8 Sm8 -","8","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1112","0.0421","","","0.0729","0.0911","","","","","","0.939","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335077","16.955","0.003","20.205","0.004","37.714","0.008","90","","90","","90","","12920","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{Hydrotris(pyrazolyl)borate-κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''}- {1-(4-trifluoromethylphenyl)-2-(1-methyl-1H-imidazol-2-yl)-3-pyridyl-prop-1- ylidene-2-carboxylic acid methyl ester-κ^3^ <i>C</i>,<i>N</i>,<i>N</i>'} -ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","- C62 H40 B2 F27 N9 O2 Ru -","- C62 H40 B2 F27 N9 O2 Ru -","- C496 H320 B16 F216 N72 O16 Ru8 -","8","1","","Francys E. Fernández; María del Carmen Puerta; Pedro Valerga","Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions","Inorganic Chemistry","2013","52","","6502","6509","10.1021/ic400433z","","x-ray","0.71073","MoKα","","0.0904","0.0797","","","0.1355","0.1406","","","","","","1.089","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335135","10.673","0.0001","8.265","0.0001","13.5683","0.0002","90","","90","","90","","1196.89","0.03","298","0.2","298","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In Na O6 Te2 -","- In Na O6 Te2 -","- In8 Na8 O48 Te16 -","8","1","","Dong Woo Lee; Kang Min Ok","Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+","Inorganic Chemistry","2013","52","","6236","6238","10.1021/ic4009152","","","0.71073","MoKα","","0.0325","0.0253","","","0.0533","0.0552","","","","","","0.939","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335302","15.8507","0.0003","14.7628","0.0003","21.2848","0.0004","90","","90","","90","","4980.66","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H34 B4 Mo2 Te2 -","- C20 H34 B4 Mo2 Te2 -","- C160 H272 B32 Mo16 Te16 -","8","1","","Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet","Correction to Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals","Inorganic Chemistry","2013","52","","7305","7305","10.1021/ic401084w","","","0.71073","MoKα","","0.0633","0.0514","","","0.1408","0.1452","","","","","","1.056","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335354","10.856","0.005","16.608","0.007","32.292","0.012","90","","90","","90","","5822","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 B Ir N2 P -","- C33 H44 B Ir N2 P -","- C264 H352 B8 Ir8 N16 P8 -","8","1","","Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel","Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand","Inorganic Chemistry","2013","52","","7593","7607","10.1021/ic400684s","","","0.71073","MoKα","","0.0783","0.0483","","","0.0818","0.0898","","","","","","1.055","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335378","15.1854","0.0003","19.5708","0.0003","20.1582","0.0003","90","","90","","90","","5990.82","0.17","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H21 F15 I N3 O -","- C28 H21 F15 I N3 O -","- C224 H168 F120 I8 N24 O8 -","8","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0632","0.0416","","","0.0738","0.0802","","","","","","1.106","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335405","13.365","0.0002","17.792","0.0003","20.757","0.0003","90","","90","","90","","4935.81","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 S2 -","- C18 H40 P4 S2 -","- C144 H320 P32 S16 -","8","1","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0447","0.0359","","","0.0897","0.0952","","","","","","1.081","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335406","13.773","0.0006","17.72","0.0003","20.669","0.0007","90","","90","","90","","5044.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 Se2 -","- C18 H40 P4 Se2 -","- C144 H320 P32 Se16 -","8","1","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0684","0.0452","","","0.0991","0.1186","","","","","","1.172","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335411","13.3421","0.0006","16.781","0.0009","20.5614","0.0011","90","","90","","90","","4603.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis-(N,N-bis(trimethylsilyl)amino)chloroarsane","","- C12 H36 As Cl N2 Si4 -","- C12 H36 As Cl N2 Si4 -","- C96 H288 As8 Cl8 N16 Si32 -","8","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.1263","0.0471","","","0.0825","0.1041","","","","","","0.999","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335482","21.953","0.009","12.135","0.006","22.342","0.01","90","","90","","90","","5952","5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H39 N5 O10 -","- C31 H39 N5 O10 -","- C248 H312 N40 O80 -","8","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","0.71073","MoKα","","0.0648","0.045","","","0.1077","0.1215","","","","","","1.04","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335546","25.4252","0.0004","24.6889","0.0004","28.3278","0.0005","90","","90","","90","","17781.9","0.5","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 Co4 N6 O80 Si2 W20 -","- C96 Co4 N6 O80 Si2 W20 -","- C384 Co16 N24 O320 Si8 W80 -","4","0.5","","Yuji Kikukawa; Kosuke Suzuki; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis, Structure Characterization, and Reversible Transformation of a Cobalt Salt of a Dilacunary γ-Keggin Silicotungstate and Sandwich-Type Di- and Tetracobalt-Containing Silicotungstate Dimers","Inorganic Chemistry","2013","52","","8644","8652","10.1021/ic4008075","","x-ray","0.71069","MoKα","","","0.098","","","","0.2793","","","","","","1.048","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335551","9.1591","0.0006","21.9836","0.0012","36.153","0.002","90","","90","","90","","7279.4","0.7","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 Mn N10 O4 W -","- C38 H32 Mn N10 O4 W -","- C304 H256 Mn8 N80 O32 W8 -","8","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.2501","0.1012","","","0.1355","0.1744","","","","","","1.051","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335587","17.092","0.003","17.526","0.003","25.402","0.005","90","","90","","90","","7609","2","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O18 P4 U2 Zn -","- C30 H30 N4 O18 P4 U2 Zn -","- C240 H240 N32 O144 P32 U16 Zn8 -","8","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Zhong-Ming Sun","Flexible Diphosphonic Acids for the Isolation of Uranyl Hybrids with Heterometallic UVI=O-ZnII Cation-Cation Interactions","Inorganic Chemistry","2013","52","","8288","8290","10.1021/ic4009834","","","0.71073","MoKα","","0.1311","0.0544","","","0.1061","0.1482","","","","","","0.981","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335696","20.5683","0.0019","19.1491","0.0018","24.29","0.002","90","","90","","90","","9567","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CoL(tBu)K","","","- C39 H54 Co K N7 -","- C39 H54 Co K N7 -","- C312 H432 Co8 K8 N56 -","8","1","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0741","0.0554","","","0.1264","0.1324","","","","","","1.069","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335762","8.903","0.002","16.681","0.003","18.058","0.003","90","","90","","90","","2681.8","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N3 -","- C14 H23 N3 -","- C112 H184 N24 -","8","1","","Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke","Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand","Inorganic Chemistry","2013","52","","9539","9548","10.1021/ic401192x","","","0.71073","MoKα","","0.0503","0.0426","","","0.1207","0.1283","","","","","","1.102","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335856","17.43","0.003","7.408","0.0012","19.348","0.003","90","","90","","90","","2498.2","0.7","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 S -","- C12 H12 N4 O4 S -","- C96 H96 N32 O32 S8 -","8","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0561","","","","0.1413","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335907","26.2226","0.0018","14.8423","0.0011","30.408","0.002","90","","90","","90","","11834.9","1.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H54 Cd2 Cl2 I6 K2 O8 S2 -","- C45 H54 Cd2 Cl2 I6 K2 O8 S2 -","- C360 H432 Cd16 Cl16 I48 K16 O64 S16 -","8","1","","Ja-Yeon Kim; In-Hyeok Park; Jai Young Lee; Joon-Hwa Lee; Ki-Min Park; Shim Sung Lee","Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network","Inorganic Chemistry","2013","52","","10176","10182","10.1021/ic401648b","","","0.71073","MoKα","","0.0914","0.0493","","","0.1077","0.1262","","","","","","1.015","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4336065","17.2495","0.0006","24.1036","0.0009","27.5893","0.001","90","","90","","90","","11470.9","0.7","83","2","83","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl4 F3 Fe2 N7 O10 S4 -","- C45 H71 Cl4 F3 Fe2 N7 O10 S4 -","- C360 H568 Cl32 F24 Fe16 N56 O80 S32 -","8","1","","Yohei Sano; Andrew C. Weitz; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Unsymmetrical Bimetallic Complexes with MII-(μ-OH)-MIII Cores (MIIMIII= FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties","Inorganic Chemistry","2013","52","","10229","10231","10.1021/ic401561k","","","0.71073","MoKα","","0.0484","0.0348","","","0.0799","0.0872","","","","","","1.019","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336066","17.2178","0.0015","24.17","0.002","27.664","0.002","90","","90","","90","","11512.5","1.6","83","2","83","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl4 F3 Fe Mn N7 O10 S4 -","- C45 H71 Cl4 F3 Fe Mn N7 O10 S4 -","- C360 H568 Cl32 F24 Fe8 Mn8 N56 O80 S32 -","8","1","","Yohei Sano; Andrew C. Weitz; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Unsymmetrical Bimetallic Complexes with MII-(μ-OH)-MIII Cores (MIIMIII= FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties","Inorganic Chemistry","2013","52","","10229","10231","10.1021/ic401561k","","","0.71073","MoKα","","0.0512","0.0348","","","0.0817","0.0893","","","","","","1.023","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336067","17.293","0.006","24.044","0.009","27.382","0.01","90","","90","","90","","11385","7","83","2","83","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl4 F3 Mn2 N7 O10 S4 -","- C45 H71 Cl4 F3 Mn2 N7 O10 S4 -","- C360 H568 Cl32 F24 Mn16 N56 O80 S32 -","8","1","","Yohei Sano; Andrew C. Weitz; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Unsymmetrical Bimetallic Complexes with MII-(μ-OH)-MIII Cores (MIIMIII= FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties","Inorganic Chemistry","2013","52","","10229","10231","10.1021/ic401561k","","","0.71073","MoKα","","0.1505","0.0771","","","0.1765","0.2242","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336087","20.5059","0.0018","15.379","0.0014","24.714","0.002","90","","90","","90","","7793.8","1.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 B Ga I2 N4 O2 -","- C16 H16 B Ga I2 N4 O2 -","- C256 H256 B16 Ga16 I32 N64 O32 -","16","2","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.1268","0.0682","","","0.1618","0.1912","","","","","","1.23","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336105","13.051","0.003","12.607","0.003","15.258","0.003","90","","90","","90","","2510.5","1","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H19 B11 -","- C6 H19 B11 -","- C48 H152 B88 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.093","0.0646","","","0.1708","0.1972","","","","","","1.148","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336147","15.4084","0.0017","11.2176","0.0013","17.3415","0.0018","90","","90","","90","","2997.4","0.6","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H48 As2 Co2 N12 S5 -","- C12 H48 As2 Co2 N12 S5 -","- C48 H192 As8 Co8 N48 S20 -","4","0.5","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0426","0.0382","","","0.0848","0.0869","","","","","","1.114","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336157","9.56","0.004","20.519","0.007","30.232","0.009","90","","90","","90","","5930","4","153","","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H29 Fe N3 O6 -","- C35 H27 Fe N3 O6 -","- C280 H216 Fe8 N24 O48 -","8","1","","Ying-Ji Sun; Qian-Qian Huang; Tetsuro Tano; Shinobu Itoh","Flavonolate Complexes of MII (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and Functional Models for the ES (Enzyme-Substrate) Complex of Quercetin 2,3-Dioxygenase","Inorganic Chemistry","2013","52","","10936","10948","10.1021/ic400972k","","","0.71075","MoKα","","","0.0417","","","","0.0835","","","","","","1.048","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336158","9.69","0.003","21.045","0.007","30.112","0.013","90","","90","","90","","6141","4","163.1","","163","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H31 Co N3 O6 -","- C36 H30 Co N3 O6 -","- C288 H240 Co8 N24 O48 -","8","1","","Ying-Ji Sun; Qian-Qian Huang; Tetsuro Tano; Shinobu Itoh","Flavonolate Complexes of MII (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and Functional Models for the ES (Enzyme-Substrate) Complex of Quercetin 2,3-Dioxygenase","Inorganic Chemistry","2013","52","","10936","10948","10.1021/ic400972k","","","0.71075","MoKα","","","0.0286","","","","0.0368","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336172","7.6549","0.0007","19.104","0.002","22.017","0.007","90","","90","","90","","3219.7","1.1","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","RM-7","","","- C13 H15 Cl Cu N2 O7 S -","- C13 H15 Cl Cu N2 O7 S -","- C104 H120 Cl8 Cu8 N16 O56 S8 -","8","1","","Ram Chandra Maji; Suman Kumar Barman; Suprakash Roy; Sudip K. Chatterjee; Faye L. Bowles; Marilyn M. Olmstead; Apurba K. Patra","Copper Complexes Relevant to the Catalytic Cycle of Copper Nitrite Reductase: Electrochemical Detection of NO(g) Evolution and Flipping of NO2 Binding Mode upon CuII →CuI Reduction","Inorganic Chemistry","2013","52","","11084","11095","10.1021/ic401295t","","","0.7749","synchrotron","","0.0484","0.0355","","","0.0841","0.0894","","","","","","1.054","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336207","17.156","0.003","20.387","0.004","20.562","0.004","90","","90","","90","","7192","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 K4 O25 Zr -","- C24 H26 K4 O25 Zr -","- C192 H208 K32 O200 Zr8 -","8","1","","Inhar Imaz; Georges Mouchaham; Nans Roques; Stéphane Brandès; Jean-Pascal Sutter","Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K4Zr(DBQ)4","Inorganic Chemistry","2013","52","","11237","11243","10.1021/ic401474f","","","0.71073","MoKα","","0.061","0.0502","","","0.1637","0.1868","","","","","","1.227","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336208","17.34","0.002","20.333","0.002","16.515","0.002","90","","90","","90","","5822.8","1.1","373","2","373","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H8 K4 O16 Zr -","- C24 H8 K4 O16 Zr -","- C192 H64 K32 O128 Zr8 -","8","1","","Inhar Imaz; Georges Mouchaham; Nans Roques; Stéphane Brandès","Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K4Zr(DBQ)4","Inorganic Chemistry","2013","52","","11237","11243","10.1021/ic401474f","","","0.71073","MoKα","","0.0828","0.0527","","","0.1418","0.2016","","","","","","1.242","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336216","15.8487","0.0008","15.9239","0.0008","25.91","0.0014","90","","90","","90","","6539","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Cl2 N3 O3 Ta -","- C34 H40 Cl2 N3 O3 Ta -","- C272 H320 Cl16 N24 O24 Ta8 -","8","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0468","0.0263","","","0.052","0.0584","","","","","","1.005","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336218","17.9045","0.0001","18.0268","0.0002","18.44","0.0001","90","","90","","90","","5951.71","0.08","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H42 Cl2 Ir8 Mo2 O20 -","- C51 H42 Cl2 Ir8 Mo2 O20 -","- C204 H168 Cl8 Ir32 Mo8 O80 -","4","0.5","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0393","0.0252","","0.0799","0.0634","0.0799","","","","","","0.9484","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336219","17.8454","0.0002","17.926","0.0004","18.4031","0.0003","90","","90","","90","","5887.09","0.18","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Ir4 O10 W -","- C25 H20 Ir4 O10 W -","- C200 H160 Ir32 O80 W8 -","8","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0778","0.0445","","0.1459","0.1074","0.1459","","","","","","1.0163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336287","16.1703","0.0005","17.8854","0.0005","18.311","0.0005","90","","90","","90","","5295.8","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-N-(trimethylsilyl)amino- dichlorophosphane","","- C27 H34 Cl2 N P Si -","- C27 H34 Cl2 N P Si -","- C216 H272 Cl16 N8 P8 Si8 -","8","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0597","0.0379","","","0.0949","0.1082","","","","","","1.036","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336297","20.6966","0.0016","14.2017","0.0011","34.284","0.003","90","","90","","90","","10077","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rhodium (II) dibenzotetramethylaza[14]annulene","","- C56 H56 N8 Rh2 -","- C56 H56 N8 Rh2 -","- C448 H448 N64 Rh16 -","8","1","","Gregory H. Imler; Michael J. Zdilla; Bradford B. Wayland","Evaluation of the Rh(II)-Rh(II)Bond Dissociation Enthalpy for [(TMTAA)Rh]2 by 1H NMR T2 Measurements: Application in Determining the Rh-C(O)- BDE in [(TMTAA)Rh]2C=O","Inorganic Chemistry","2013","52","","11509","11513","10.1021/ic401778c","","","0.71073","MoKα","","0.0456","0.0356","","","0.0847","0.088","","","","","","1.091","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336302","11.908","0.002","15.53","0.003","28.001","0.006","90","","90","","90","","5178.3","1.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H42 N2 O P2 Ru -","- C23 H42 N2 O P2 Ru -","- C184 H336 N16 O8 P16 Ru8 -","8","1","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.074","0.049","","","0.0978","0.1045","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336317","19.579","0.014","20","0.006","21.2235","0.0005","90","","90","","90","","8311","6","200","2","200","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C34 H57 F3 N4 O3 S Si Ti3 -","- C34 H57 F3 N4 O3 S Si Ti3 -","- C272 H456 F24 N32 O24 S8 Si8 Ti24 -","8","1","","Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems","Inorganic Chemistry","2013","52","","11519","11529","10.1021/ic4018294","","x-ray","0.71073","MoKα","","0.1314","0.0725","","","0.1724","0.2194","","","","","","1.038","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336377","9.504","0.002","18.182","0.004","23.174","0.005","90","","90","","90","","4004.5","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VCl(Py)2(NtBu)2","","","- C18 H28 Cl N4 V -","- C18 H28 Cl N4 V -","- C144 H224 Cl8 N32 V8 -","8","1","","Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste","Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy","Inorganic Chemistry","2013","52","","11650","11660","10.1021/ic4020543","","","0.71073","MoKα","","0.0438","0.0325","","","0.0765","0.0841","","","","","","1.103","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336435","24.962","0.005","15.241","0.005","27.609","0.005","90","0.005","90","0.005","90","0.005","10504","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Cl6 Dy4 N12 O28 -","- C92 H110 Cl6 Dy4 N12 O28 -","- C368 H440 Cl24 Dy16 N48 O112 -","4","0.5","","Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter","Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue","Inorganic Chemistry","2013","52","","11956","11965","10.1021/ic401652f","","","0.71069","MoKα","","0.0679","0.0464","","","0.1128","0.1257","","","","","","1.049","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336436","25.0177","0.0009","15.6762","0.0006","27.819","0.0011","90","","90","","90","","10910.1","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Cl6 N12 O28 Tb4 -","- C92 H110 Cl6 N12 O28 Tb4 -","- C368 H440 Cl24 N48 O112 Tb16 -","4","0.5","","Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter","Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue","Inorganic Chemistry","2013","52","","11956","11965","10.1021/ic401652f","","","0.71073","MoKα","","0.0774","0.0402","","","0.0858","0.1039","","","","","","1.051","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336437","25.25","0.004","15.664","0.002","27.906","0.004","90","","90","","90","","11037","3","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Cl6 Gd4 N12 O28 -","- C92 H110 Cl6 Gd4 N12 O28 -","- C368 H440 Cl24 Gd16 N48 O112 -","4","0.5","","Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter","Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue","Inorganic Chemistry","2013","52","","11956","11965","10.1021/ic401652f","","","0.71073","MoKα","","0.1179","0.0492","","","0.0887","0.1085","","","","","","0.998","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336476","17.5517","0.0004","19.0568","0.0003","21.3477","0.0005","90","","90","","90","","7140.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H32 B Cu F4 N2 P2 -","- C42 H32 B Cu F4 N2 P2 -","- C336 H256 B8 Cu8 F32 N16 P16 -","8","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.0989","0.0516","","","0.1363","0.1663","","","","","","1.067","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336501","9.6918","0.001","13.2067","0.0014","23.235","0.002","90","","90","","90","","2974","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl2 N2 O6 Pt S -","- C6 H18 Cl2 N2 O6 Pt S -","- C48 H144 Cl16 N16 O48 Pt8 S8 -","8","1","","Timothy C. Johnstone; Justin J. Wilson; Stephen J. Lippard","Monofunctional and Higher-Valent Platinum Anticancer Agents","Inorganic Chemistry","2013","52","","12234","12249","10.1021/ic400538c","","","0.71073","MoKα","","0.0366","0.0205","","","0.0411","0.047","","","","","","1.037","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336583","18.3053","0.0004","13.7628","0.0004","18.4726","0.0005","90","","90","","90","","4653.8","0.2","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Cl Co F3 N2 O3 S -","- C21 H23 Cl Co F3 N2 O3 S -","- C168 H184 Cl8 Co8 F24 N16 O24 S8 -","8","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.0665","0.0394","","","0.1002","0.1153","","","","","","1.016","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336598","15.831","0.0018","23.242","0.003","35.736","0.004","90","","90","","90","","13149","3","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 Cl Ir N4 -","- C30 H54 Cl Ir N4 -","- C480 H864 Cl16 Ir16 N64 -","16","2","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0862","","","","0.2087","","","","","","1.108","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336680","17.771","0.002","19.49","0.002","25.163","0.003","90","","90","","90","","8715.4","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H39 B11 Cl10 Li N3 O6 S -","- C24 H39 B11 Cl10 Li N3 O6 S -","- C192 H312 B88 Cl80 Li8 N24 O48 S8 -","8","1","","Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo","Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide","Inorganic Chemistry","2013","52","","12308","12310","10.1021/ic402436w","","","0.71073","MoKα","","0.0702","0.0349","","","0.0704","0.0876","","","","","","1.081","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336694","15.5182","0.0009","11.4066","0.0004","27.9992","0.001","90","","90","","90","","4956.1","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Co2 N10 S4 -","- C46 H54 Co2 N10 S4 -","- C184 H216 Co8 N40 S16 -","4","0.5","","Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther","Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition","Inorganic Chemistry","2013","52","","12947","12957","10.1021/ic4012235","","","0.71073","MoKα","","0.085","0.0404","","","0.0787","0.0914","","","","","","0.954","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336754","21.8137","0.0003","22.2232","0.0004","29.0539","0.0005","90","","90","","90","","14084.5","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Mo(C10H8)(CNArDArF2)3","","","- C79 H35 F36 Mo N3 -","- C79 H35 F35.999 Mo N3 -","- C632 H280 F287.992 Mo8 N24 -","8","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","1.54178","CuKα","K-L~3~","0.0864","0.0503","","","0.1117","0.127","","","","","","1.016","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336756","16.5712","0.0013","23.656","0.002","35.706","0.003","90","","90","","90","","13997","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Mo(eta6-C6H6)(CNArDArF2)3","","","- C75 H33 F36 Mo N3 -","- C75 H33 F36.001 Mo N3 -","- C600 H264 F288.008 Mo8 N24 -","8","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0662","0.0425","","","0.089","0.0976","","","","","","1.016","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336761","13.2768","0.0004","11.2949","0.0004","13.6333","0.0006","90","","90","","90","","2044.45","0.13","123","1","123","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 Br3 In N -","- C5 H5 Br3 In N -","- C40 H40 Br24 In8 N8 -","8","1","","Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin","Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers","Inorganic Chemistry","2013","52","","13207","13215","10.1021/ic402162d","","x-ray","1.54178","","","0.0737","0.0726","","","0.1884","0.191","","","","","","1.082","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336782","16.4379","0.0015","17.5125","0.0015","33.949","0.003","90","","90","","90","","9772.9","1.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H78 Cl2 Co2 F12.01 N6 P2 -","- C36 H78 Cl2 Co2 F12.012 N6 P2.002 -","- C288 H624 Cl16 Co16 F96.096 N48 P16.016 -","8","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0731","0.0477","","","0.1127","0.1269","","","","","","1.022","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336794","15.909","0.0011","17.1316","0.0012","17.661","0.0013","90","","90","","90","","4813.4","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Santiago11","Santiago11","","- C21 H29 F6 Fe N4 O P -","- C21 H29 F6 Fe N4 O P -","- C168 H232 F48 Fe8 N32 O8 P8 -","8","1","","Michael K. Coggins; Santiago Toledo; Julie A. Kovacs","Isolation and Characterization of a Dihydroxo-Bridged Iron(III,III)(μ-OH)2 Diamond Core Derived from Dioxygen","Inorganic Chemistry","2013","52","","13325","13331","10.1021/ic4010906","","","0.71073","MoKα","","0.1772","0.0592","","","0.1154","0.1548","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336843","7.2936","0.0005","13.1752","0.001","25.2461","0.0013","90","","90","","90","","2426","0.3","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ag(ANG)2(NO3)","Bis(3-amino-1-nitroguanidine)silver(I) nitrate","","- C2 H10 Ag N11 O7 -","- C2 H10 Ag N11 O7 -","- C16 H80 Ag8 N88 O56 -","8","1","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.066","0.0279","","","0.0447","0.0492","","","","","","0.776","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336869","15.3955","0.001","14.0979","0.0009","23.9071","0.0016","90","","90","","90","","5188.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{[4-Br-3,5-(CF3)2Pz]Ag}3","","","- C15 Ag3 Br3 F18 N6 -","- C15 Ag3 Br3 F18 N6 -","- C120 Ag24 Br24 F144 N48 -","8","1","","Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias","Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate","Inorganic Chemistry","2013","52","","13576","13583","10.1021/ic402080y","","","0.71073","MoKα","","0.0382","0.0313","","","0.0746","0.0802","","","","","","1.047","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336872","15.3988","0.0012","13.8537","0.0011","23.8914","0.0018","90","","90","","90","","5096.8","0.7","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","{[4-Cl-3,5-(CF3)2Pz]Ag}3","","","- C15 Ag3 Cl3 F18 N6 -","- C15 Ag3 Cl3 F18 N6 -","- C120 Ag24 Cl24 F144 N48 -","8","1","","Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias","Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate","Inorganic Chemistry","2013","52","","13576","13583","10.1021/ic402080y","","","0.71073","MoKα","","0.0459","0.0379","","","0.0908","0.0953","","","","","","1.087","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336895","9.2274","0.0012","14.67","0.002","25.607","0.004","90","","90","","90","","3466.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H28 Br2 N4 O2 -","- C10 H28 Br2 N4 O2 -","- C80 H224 Br16 N32 O16 -","8","1","","Pablo Bruna; Andreas Decken; Scott Greer; Friedrich Grein; H. Donald B. Jenkins; Birgit Mueller; Jack Passmore; Tressia A. P. Paulose; J. Mikko Rautiainen; Stephanie Richardson; Melbourne J. Schriver","Synthesis of (TDAE)(O2SSO2)(s) and Discovery of (TDAE)(O2SSSSO2)(s) Containing the First Polythionite, [O2SSSSO2]2-","Inorganic Chemistry","2013","52","","13651","13662","10.1021/ic4022195","","","0.71073","MoKα","","0.0502","0.0331","","","0.0845","0.0945","","","","","","1.032","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336949","14.7413","0.0006","14.8196","0.0006","22.0621","0.0009","90","","90","","90","","4819.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H41 N3 Ni O2 -","- C23 H41 N3 Ni O2 -","- C184 H328 N24 Ni8 O16 -","8","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0433","0.0296","","","0.0671","0.0733","","","","","","1.012","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336979","14.09","0.005","14.745","0.005","23.495","0.005","90","0.005","90","0.005","90","0.005","4881","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 Cl5 Co N6 -","- C22 H14 Cl5 Co N6 -","- C176 H112 Cl40 Co8 N48 -","8","1","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.052","0.033","","","0.0746","0.0825","","","","","","1.034","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336982","19.629","0.003","8.489","0.0014","21.115","0.003","90","","90","","90","","3518.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 F12 Fe0.5 N2 O2 -","- C12 H15 F12 Fe0.5 N2 O2 -","- C96 H120 F96 Fe4 N16 O16 -","8","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0644","0.0398","","","0.0838","0.0949","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336988","19.7604","0.0012","8.4356","0.0005","21.171","0.0013","90","","90","","90","","3529","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cu0.5 F12 N2 O2 -","- C12 H15 Cu0.5 F12 N2 O2 -","- C96 H120 Cu4 F96 N16 O16 -","8","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.1176","0.1036","","","0.2774","0.2922","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336989","11.888","0.001","11.7632","0.0009","39.823","0.003","90","","90","","90","","5568.9","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F24 K2 O11 Zn -","- C12 H14 F24 K2 O11 Zn -","- C96 H112 F192 K16 O88 Zn8 -","8","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0378","0.0274","","","0.0659","0.0709","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337058","14.7153","0.0004","15.8842","0.0004","16.7459","0.0004","90","","90","","90","","3914.2","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N3 O6 S -","- C19 H18 Cl N3 O6 S -","- C152 H144 Cl8 N24 O48 S8 -","8","1","","Ajnesh Singh; Tilak Raj; Thammarat Aree; Narinder Singh","Fluorescent Organic Nanoparticles of Biginelli-Based Molecules: Recognition of Hg2+ and Cl- in an Aqueous Medium","Inorganic Chemistry","2013","52","","13830","13832","10.1021/ic402763z","","","0.71073","MoKα","","0.0721","0.052","","","0.142","0.152","","","","","","1.025","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337063","11.6653","0.0005","9.7781","0.0004","23.3284","0.0009","90","","90","","90","","2660.94","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N6 O2 Pd -","- C30 H28 N6 O2 Pd -","- C120 H112 N24 O8 Pd4 -","4","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0459","0.0334","","","0.0786","0.0852","","","","","","1.178","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337074","14.489","0.003","15.73","0.003","16.672","0.003","90","","90","","90","","3799.7","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H14 N2 O6 Zn -","- C19 H14 N2 O6 Zn -","- C152 H112 N16 O48 Zn8 -","8","1","","Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun","Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.","Inorganic chemistry","2014","53","2","691","693","10.1021/ic402692p","","","0.71073","MoKα","","0.0461","0.0368","","","0.0887","0.0927","","","","","","1.261","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337122","12.7981","0.0011","14.2608","0.0013","14.5214","0.0013","90","","90","","90","","2650.3","0.4","180","1","180","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 B Be I N6 -","- C9 H10 B Be I N6 -","- C72 H80 B8 Be8 I8 N48 -","8","1","","Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.","Inorganic chemistry","2014","53","2","1241","1249","10.1021/ic402895h","","","0.71073","MoKα","","0.0313","0.0239","","","0.0585","0.063","","","","","","1.06","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337131","14.266","0.0011","15.8964","0.0012","19.4635","0.0015","90","","90","","90","","4413.9","0.6","110","2","110","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C25 H34 N2 Ru Si -","- C25 H34 N2 Ru Si -","- C200 H272 N16 Ru8 Si8 -","8","1","","Smart, Katharine A.; Grellier, Mary; Coppel, Yannick; Vendier, Laure; Mason, Sax A.; Capelli, Silvia C.; Albinati, Alberto; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Sabo-Etienne, Sylviane","Nature of si-h interactions in a series of ruthenium silazane complexes using multinuclear solid-state NMR and neutron diffraction.","Inorganic chemistry","2014","53","2","1156","1165","10.1021/ic4027199","","x-ray","0.71073","MoKα","","0.0498","0.0344","","","0.0767","0.0854","","","","","","1.125","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337201","15.1877","0.0019","11.7191","0.0015","30.919","0.004","90","","90","","90","","5503.2","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Cl3 N6 O13 Ru -","- C19 H29 Cl3 N6 O13 Ru -","- C152 H232 Cl24 N48 O104 Ru8 -","8","1","","Codesido, Nicolás Osa; Weyhermüller, Thomas; Olabe, José A; Slep, Leonardo D.","Nitrosyl-Centered Redox and Acid-Base Interconversions in [Ru(Me3[9]aneN3)(bpy)(NO)](3,2,1+). The pKa of HNO for its Nitroxyl Derivative in Aqueous Solution.","Inorganic chemistry","2014","53","2","981","997","10.1021/ic402448p","","","0.71073","MoKα","","0.0783","0.0608","","","0.1433","0.1529","","","","","","1.187","","","","has coordinates","179475","2020-10-21","18:00:00",""
"4337248","17.952","0.007","19.56","0.007","17.598","0.007","90","","90","","90","","6179","4","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(H2TMhpp)2[W2(¦Ì-O)2(¦Ì-TMhpp)2Cl4]","","","- C46 H88 Cl8 N12 O2 W2 -","- C46 H88 Cl8 N12 O2 W2 -","- C184 H352 Cl32 N48 O8 W8 -","4","0.5","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Zhao, Qinliang","A Strong Metal-to-Metal Interaction in an Edge-Sharing Bioctahedral Compound that Leads to a Very Short Tungsten-Tungsten Double Bond.","Inorganic chemistry","2014","53","4","2288","2295","10.1021/ic402992n","","","0.71073","MoKα","","0.1077","0.0473","","","0.1088","0.1321","","","","","","1.193","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4337474","19.985","0.003","10.2202","0.0017","32.465","0.006","90","","90","","90","","6631","1.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Cl Cu Ge I N5 -","- C30 H38 Cl Cu Ge I N5 -","- C240 H304 Cl8 Cu8 Ge8 I8 N40 -","8","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Nagendran, Selvarajan","Aminotroponiminato(chloro)germylene stabilized copper(I) iodide complexes: synthesis and structure.","Inorganic chemistry","2014","53","1","600","606","10.1021/ic402742f","","","0.71073","MoKα","","0.0972","0.0799","","","0.1615","0.1687","","","","","","1.304","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337576","19.4779","0.0011","12.6964","0.0008","37.386","0.002","90","","90","","90","","9245.5","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H47 B20 Ir N2 O2 S2 -","- C37 H47 B20 Ir N2 O2 S2 -","- C296 H376 B160 Ir8 N16 O16 S16 -","8","1","","Bae, Hye Jin; Chung, Jin; Kim, Hyungjun; Park, Jihyun; Lee, Kang Mun; Koh, Tae-Wook; Lee, Yoon Sup; Yoo, Seunghyup; Do, Youngkyu; Lee, Min Hyung","Deep red phosphorescence of cyclometalated iridium complexes by o-carborane substitution.","Inorganic chemistry","2014","53","1","128","138","10.1021/ic401755m","","","0.71073","MoKα","","0.0926","0.0648","","","0.1797","0.2014","","","","","","1.013","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337656","12.0098","0.0007","10.3144","0.0006","12.226","0.0007","90","","90","","90","","1514.48","0.15","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H2 Ag O8 P2 U -","- C H2 Ag O8 P2 U -","- C8 H16 Ag8 O64 P16 U8 -","8","1","","Nelson, Anna-Gay D; Rak, Zsolt; Albrecht-Schmitt, Thomas E; Becker, Udo; Ewing, Rodney C.","Three new silver uranyl diphosphonates: structures and properties.","Inorganic chemistry","2014","53","6","2787","2796","10.1021/ic401897n","","","0.71073","MoKα","","0.0234","0.0225","","","0.0773","0.078","","","","","","1.272","","","","has coordinates","179479","2020-10-21","18:00:00",""
"4337825","18.0489","0.0012","22.812","0.002","24.131","0.003","90","","90","","90","","9935.5","1.6","100","2","100","2","","","","","","","dichlormethane, hexane","7","P b c a","-P 2ac 2ab","61","","","","- C53 H48 Cl2 N6 O2 P2 Ru -","- C53 H48 Cl2 N6 O2 P2 Ru -","- C424 H384 Cl16 N48 O16 P16 Ru8 -","8","1","","Patra, Sarat Chandra; Weyhermüller, Thomas; Ghosh, Prasanta","Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.","Inorganic chemistry","2014","53","5","2427","2440","10.1021/ic4022432","","","0.71073","MoKα","","0.0623","0.0385","","","0.0818","0.0935","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337836","15.1933","0.0014","8.43","0.0008","15.4515","0.0013","90","","90","","90","","1979","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Mo N3 O5 -","- C8 H7 Mo N3 O5 -","- C64 H56 Mo8 N24 O40 -","8","1","","Amarante, Tatiana R.; Neves, Patrícia; Gomes, Ana C.; Nolasco, Mariela M.; Ribeiro-Claro, Paulo; Coelho, Ana C.; Valente, Anabela A.; Paz, Filipe A Almeida; Smeets, Stef; McCusker, Lynne B.; Pillinger, Martyn; Gonçalves, Isabel S","Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)]n.","Inorganic chemistry","2014","53","5","2652","2665","10.1021/ic403033j","","","0.71073","MoKα","","0.07","0.046","","","0.0697","0.0751","","","","","","1.092","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337888","17.2322","0.0005","17.4969","0.0005","20.5736","0.0006","90","","90","","90","","6203.1","0.3","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 Cu3 Mo N16 O5 -","- C20 H40 Cu3 Mo N16 O5 -","- C160 H320 Cu24 Mo8 N128 O40 -","8","1","","Stefańczyk, Olaf; Rams, Michał; Majcher, Anna M.; Mathonière, Corine; Sieklucka, Barbara","Chiral (LH)2L2Cu3 Trinuclear Paramagnetic Nodes in Octacyanidometalate-Bridged Helical Chains.","Inorganic chemistry","2014","53","7","3874","","10.1021/ic500271f","","x-ray","0.71073","MoKα","","0.0497","0.0286","","","0.06","0.0634","","","","","","0.932","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337889","17.246","0.0002","17.529","0.0002","20.614","0.0004","90","","90","","90","","6231.72","0.16","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 Cu3 N16 O5 W -","- C20 H40 Cu3 N16 O5 W -","- C160 H320 Cu24 N128 O40 W8 -","8","1","","Stefańczyk, Olaf; Rams, Michał; Majcher, Anna M.; Mathonière, Corine; Sieklucka, Barbara","Chiral (LH)2L2Cu3 Trinuclear Paramagnetic Nodes in Octacyanidometalate-Bridged Helical Chains.","Inorganic chemistry","2014","53","7","3874","","10.1021/ic500271f","","x-ray","0.71069","MoKα","","0.0263","0.0237","","","0.0595","0.0613","","","","","","1.083","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337906","17.6845","0.0014","14.1011","0.001","18.3747","0.0014","90","","90","","90","","4582.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(LMes1-)AlCl2","","","- C22 H28 Al Cl2 N2 -","- C22 H28 Al Cl2 N2 -","- C176 H224 Al8 Cl16 N16 -","8","1","","Cole, Bren E.; Wolbach, Jeffrey P.; Dougherty, Jr, William G.; Piro, Nicholas A.; Kassel, W. Scott; Graves, Christopher R.","Synthesis and Characterization of Aluminum-α-diimine Complexes over Multiple Redox States.","Inorganic chemistry","2014","53","7","3899","","10.1021/ic5003989","","","0.71073","MoKα","","0.068","0.043","","","0.1023","0.1152","","","","","","1.044","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337950","33.123","0.006","29.011","0.005","40.956","0.008","90","","90","","90","","39356","12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C174 H174 Au20 Cl4 P16 -","- C174 H174 Au20 Cl4 P16 -","- C1392 H1392 Au160 Cl32 P128 -","8","1","","Chen, Jing; Zhang, Qian-Fan; Williard, Paul G.; Wang, Lai-Sheng","Synthesis and structure determination of a new au20 nanocluster protected by tripodal tetraphosphine ligands.","Inorganic chemistry","2014","53","8","3932","3934","10.1021/ic500562r","","","0.7749","","","0.0787","0.047","","","0.1219","0.1437","","","","","","1.036","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4337964","16.1569","0.0008","16.6106","0.0008","17.3001","0.0008","90","","90","","90","","4642.9","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl7 Ga2 N3 P2 Si2 -","- C6 H18 Cl7 Ga2 N3 P2 Si2 -","- C48 H144 Cl56 Ga16 N24 P16 Si16 -","8","1","","Hering, Christian; Hertrich, Maximilian; Schulz, Axel; Villinger, Alexander","Azidophosphenium Cations: Versatile Reagents in Inorganic Synthesis.","Inorganic chemistry","2014","53","7","3880","","10.1021/ic500332s","","","0.71073","MoKα","","0.0664","0.0328","","","0.0612","0.0671","","","","","","1.009","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4338157","13.334","0.002","14.982","0.003","17.158","0.003","90","","90","","90","","3427.7","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Cl2 Fe N5 -","- C17 H13 Cl2 Fe N5 -","- C136 H104 Cl16 Fe8 N40 -","8","1","","Ghosh, Pradip; Samanta, Subhas; Roy, Suman K.; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata","Introducing a new azoaromatic pincer ligand. Isolation and characterization of redox events in its ferrous complexes.","Inorganic chemistry","2014","53","9","4678","4686","10.1021/ic500355f","","","0.71073","MoKα","","0.045","0.0327","","","0.0786","0.0851","","","","","","1.048","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338306","19.443","0.002","17.8404","0.0019","21.047","0.002","90","","90","","90","","7300.6","1.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H6 Al F36 O4 S4 -","- C21 H6 Al F36 O4 S4 -","- C168 H48 Al8 F288 O32 S32 -","8","1","","Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin","Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion.","Inorganic chemistry","2014","53","10","5321","5327","10.1021/ic5006117","","","0.71073","MoKα","","0.042","0.0352","","","0.088","0.0941","","","","","","1.026","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338327","5.969","0.008","11.931","0.017","14.45","0.02","90","","90","","90","","1029","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H0 N0.8 O4 Pb1.6 -","- N0.8 O4 Pb1.6 -","- N8 O40 Pb16 -","10","1.25","","Wang, Genxiang; Luo, Min; Ye, Ning; Lin, Chensheng; Cheng, Wendan","Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems.","Inorganic chemistry","2014","53","10","5222","5228","10.1021/ic5004116","","","0.71073","MoKα","","0.0727","0.0588","","","0.1808","0.1875","","","","","","1.387","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338371","14.9694","0.001","19.7485","0.0014","29.977","0.002","90","","90","","90","","8861.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H60 F Ga N2 O2 -","- C50 H60 F Ga N2 O2 -","- C400 H480 F8 Ga8 N16 O16 -","8","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Chudakova, Valentina A.; Bazyakina, Natalia L.; Piskunov, Alexander V.; Demeshko, Serhiy V.; Fukin, Georgy K.","Digallane with redox-active diimine ligand: dualism of electron-transfer reactions.","Inorganic chemistry","2014","53","10","5159","5170","10.1021/ic500259k","","","0.71073","MoKα","","0.0857","0.0445","","","0.0902","0.1004","","","","","","0.992","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338390","5.95124","0.00011","5.89412","0.00011","29.2011","0.0005","90","","90","","90","","1024.3","0.03","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ba Ge4 Rh2 S6 -","- Ba Ge4 Rh2 S6 -","- Ba4 Ge16 Rh8 S24 -","4","0.5","","Lei, Hechang; Yamaura, Jun-Ichi; Guo, Jiangang; Qi, Yanpeng; Toda, Yoshitake; Hosono, Hideo","Layered Compounds BaM2Ge4Ch6 (M = Rh, Ir and Ch = S, Se) with Pyrite-Type Building Blocks and Ge-Ch Heteromolecule-Like Anions.","Inorganic chemistry","2014","53","11","5684","5691","10.1021/ic500437k","","","0.71075","MoKα","","0.037","0.024","","","0.0446","0.0494","","","","","","1.034","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338408","19.9313","0.0007","13.0926","0.0005","26.5148","0.0009","90","","90","","90","","6919.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H42 N6 O2 Pd2 -","- C38 H42 N6 O2 Pd2 -","- C304 H336 N48 O16 Pd16 -","8","1","","Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre","Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.","Inorganic chemistry","2014","53","11","5515","5526","10.1021/ic500194y","","","0.71073","MoKα","","0.111","0.0458","","","0.0813","0.0964","","","","","","0.945","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338429","18.4099","0.0017","15.6527","0.0014","22.408","0.002","90","","90","","90","","6457.2","1","566","2","566","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H30 Cl2 Cu2 N10 O9 -","- C23 H30 Cl2 Cu2 N10 O9 -","- C184 H240 Cl16 Cu16 N80 O72 -","8","1","","Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni","Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.","Inorganic chemistry","2014","53","11","5759","5771","10.1021/ic500544n","","","0.71073","MoKα","","0.0603","0.0436","","","0.1124","0.1233","","","","","","1.046","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338432","20.8313","0.001","21.4462","0.0011","22.3595","0.001","90","","90","","90","","9989.2","0.8","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H60 F Fe2 N4 P3 -","- C49 H60 F Fe2 N4 P3 -","- C392 H480 F8 Fe16 N32 P24 -","8","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Johnson, Bruce M.; Brozek, Carl K.; Krogman, Jeremy P.; Bezpalko, Mark W.; Berben, Louise A.; Keith, Jason M.; Foxman, Bruce M.; Thomas, Christine M.","One-electron oxidation chemistry and subsequent reactivity of diiron imido complexes.","Inorganic chemistry","2014","53","11","5429","5437","10.1021/ic403039x","","","0.71073","MoKα","","0.0605","0.0356","","0.0965","0.0801","0.0965","","","","","","0.9888","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338476","14.4373","0.0005","12.5919","0.0004","14.7778","0.0005","90","","90","","90","","2686.5","0.16","213","","213","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N4 O8 U2 -","- C28 H20 N4 O8 U2 -","- C112 H80 N16 O32 U8 -","4","0.5","","Takao, Koichiro; Tsushima, Satoru; Ogura, Toshinari; Tsubomura, Taro; Ikeda, Yasuhisa","Experimental and Theoretical Approaches to Redox Innocence of Ligands in Uranyl Complexes: What Is Formal Oxidation State of Uranium in Reductant of Uranyl(VI)?","Inorganic chemistry","2014","53","11","5772","5780","10.1021/ic5006314","","","0.71075","MoKα","","","0.0338","","","","0.0723","","","","","","1.068","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338613","18.1783","0.0001","18.6099","0.0002","24.4975","0.0002","90","","90","","90","","8287.41","0.12","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H69 Li N2 O3 Zn2 -","- C39 H69 Li N2 O3 Zn2 -","- C312 H552 Li8 N16 O24 Zn16 -","8","1","","Clegg, William; Graham, David V.; Herd, Emma; Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.; Russo, Luca","Donor-Dictated Interlocking Co-Complexation Reactions of LiNHDipp with Dimethylzinc: Synthesis and Structures of New Methyl(amido)zincates","Inorganic Chemistry","2009","48","12","5320","5327","10.1021/ic900313b","","","0.71073","MoKα","","0.0624","0.0451","","","0.1094","0.1205","","","","","","1.094","","","","has coordinates,has disorder","210044","2020-10-21","18:00:00",""
"4338649","19.2666","0.0019","19.0545","0.0018","25.546","0.003","90","","90","","90","","9378.3","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Co Hg2 N13 O15 S2 -","- C38 H34 Co Hg2 N13 O15 S2 -","- C304 H272 Co8 Hg16 N104 O120 S16 -","8","1","","Mishra, Anurag; Ali, Afsar; Upreti, Shailesh; Whittingham, M. Stanley; Gupta, Rajeev","Cobalt Complex as Building Blocks: Synthesis, Characterization, and Catalytic Applications of {Cd2±-Co3±-Cd2+} and {Hg2±-Co3±-Hg2+} Heterobimetallic Complexes","Inorganic chemistry","2009","48","12","5234","5243","10.1021/ic900223f","","","0.71073","MoKα","","0.0958","0.0812","","","0.1022","0.1081","","","","","","1.13","","","","has coordinates","210035","2020-10-21","18:00:00",""
"4338672","11.8314","0.0012","13.5236","0.0014","31.565","0.003","90","","90","","90","","5050.5","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H40 Cl2 Fe N2 P2 -","- C18 H40 Cl2 Fe N2 P2 -","- C144 H320 Cl16 Fe8 N16 P16 -","8","1","","Fillman, Kathlyn L.; Bielinski, Elizabeth A.; Schmeier, Timothy J.; Nesvet, Jared C.; Woodruff, Tessa M.; Pan, Cassie J.; Takase, Michael K.; Hazari, Nilay; Neidig, Michael L.","Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes.","Inorganic chemistry","2014","53","12","6066","6072","10.1021/ic5004275","","","0.71075","MoKα","","0.0907","0.062","","","0.097","0.1048","","","","","","1.157","","","","has coordinates,has disorder","179489","2020-10-21","18:00:00",""
"4338695","14.316","0.008","17.312","0.008","18.831","0.009","90","","90","","90","","4667","4","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H42 Co2 N8 O12 -","- C46 H42 Co2 N8 O12 -","- C184 H168 Co8 N32 O48 -","4","0.5","","Santillan, Guillermo A.; Carrano, Carl J.","Cobalt, zinc, and nickel complexes of a diatopic heteroscorpionate ligand: building blocks for coordination polymers.","Inorganic chemistry","2008","47","3","930","939","10.1021/ic701718b","","","0.71073","MoKα","","0.081","0.048","","","0.1227","0.1428","","","","","","1.083","","","","has coordinates","179489","2020-10-21","18:00:00",""
"4338713","14.412","0.003","13.58","0.002","18.015","0.003","90","","90","","90","","3525.8","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H30 N8 O12 S4 -","- C30 H30 N8 O12 S4 -","- C120 H120 N32 O48 S16 -","4","0.5","","Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.","Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.","Inorganic chemistry","2014","53","12","5887","5889","10.1021/ic500746e","","","0.71073","MoKα","","0.075","0.0554","","","0.1398","0.1513","","","","","","1.031","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338867","13.271","0.003","14.427","0.003","14.477","0.003","90","","90","","90","","2771.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Ag N3 O4 S -","- C11 H14 Ag N3 O4 S -","- C88 H112 Ag8 N24 O32 S8 -","8","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Structural study of silver(I) sulfonate complexes with pyrazine derivatives.","Inorganic chemistry","2007","46","18","7299","7311","10.1021/ic070147s","","","0.71073","MoKα","","0.0566","0.0381","","","0.0974","0.1035","","","","","","1.055","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338895","15.145","0.0005","19.569","0.0012","16.5042","0.0006","90","","90","","90","","4891.4","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 F6 N2 P Ti -","- C28 H22 F6 N2 P Ti -","- C224 H176 F48 N16 P8 Ti8 -","8","1","","Piglosiewicz, Ingmar M.; Beckhaus, Rüdiger; Wittstock, Gunther; Saak, Wolfgang; Haase, Detlef","Selective oxidation and reduction of trinuclear titanium(II) hexaazatrinaphthylene complexes-synthesis, structure, and electrochemical investigations.","Inorganic chemistry","2007","46","18","7610","7620","10.1021/ic701009u","","","0.71073","MoKα","","0.1012","0.044","","","0.0836","0.0969","","","","","","0.817","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4338898","22.3769","0.0006","28.1718","0.001","30.5731","0.0013","90","","90","","90","","19273.2","1.2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 H130 B N6 O7 Ti3 -","- C112 H130 B N6 O7 Ti3 -","- C896 H1040 B8 N48 O56 Ti24 -","8","1","","Piglosiewicz, Ingmar M.; Beckhaus, Rüdiger; Wittstock, Gunther; Saak, Wolfgang; Haase, Detlef","Selective oxidation and reduction of trinuclear titanium(II) hexaazatrinaphthylene complexes-synthesis, structure, and electrochemical investigations.","Inorganic chemistry","2007","46","18","7610","7620","10.1021/ic701009u","","","0.71073","MoKα","","0.1837","0.0819","","","0.1931","0.2354","","","","","","0.828","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4338917","17.921","0.0003","18.913","0.0003","19.744","0.0004","90","","90","","90","","6692","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","acetonitryle)(N-benzyl-N,N?,N?-tris(2-pyridylmethyl)ethylenediamine) iron(II) hexafluorophosphate","","- C29 H32 F12 Fe N6 P2 -","- C29 H32 F12 Fe N6 P2 -","- C232 H256 F96 Fe8 N48 P16 -","8","1","","Ortega-Villar, Norma; Ugalde-Saldívar, Víctor M; Muñoz, M Carmen; Ortiz-Frade, Luis A; Alvarado-Rodríguez, José G; Real, José A; Moreno-Esparza, Rafael","Synthesis and relative stability of a series of compounds of type [Fe(II)(bztpen)X]+, where bztpen=pentadentate ligand, N5, and X-=monodentate anion.","Inorganic chemistry","2007","46","18","7285","7293","10.1021/ic0620743","","x-ray","0.71073","MoKα","","0.1256","0.0782","","","0.2134","0.2561","","","","","","1.019","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338918","18.452","0.003","16.9375","0.0019","18.471","0.002","90","","90","","90","","5772.8","1.3","298","2","298","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","(N-benzyl-N,N?,N?-tris(2-pyridylmethyl)ethylenediamine) (bromo)iron(II) hexafluorophosphate","","- C27 H29 Br F6 Fe N5 P -","- C27 H29 Br F6 Fe N5 P -","- C216 H232 Br8 F48 Fe8 N40 P8 -","8","1","","Ortega-Villar, Norma; Ugalde-Saldívar, Víctor M; Muñoz, M Carmen; Ortiz-Frade, Luis A; Alvarado-Rodríguez, José G; Real, José A; Moreno-Esparza, Rafael","Synthesis and relative stability of a series of compounds of type [Fe(II)(bztpen)X]+, where bztpen=pentadentate ligand, N5, and X-=monodentate anion.","Inorganic chemistry","2007","46","18","7285","7293","10.1021/ic0620743","","x-ray","0.71073","MoKα","","0.1795","0.0733","","","0.1306","0.1571","","","","","","0.9","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338920","17.445","0.0008","18.465","0.0008","18.465","0.0007","90","","90","","90","","5948","0.4","298","2","298","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","N-benzyl-N,N?,N?-tris(2-pyridylmethyl)ethylenediamine)(iodo)iron(II) hexafluorophosphate","","- C27 H29 F6 Fe I N5 P -","- C27 H29 F6 Fe I N5 P -","- C216 H232 F48 Fe8 I8 N40 P8 -","8","1","","Ortega-Villar, Norma; Ugalde-Saldívar, Víctor M; Muñoz, M Carmen; Ortiz-Frade, Luis A; Alvarado-Rodríguez, José G; Real, José A; Moreno-Esparza, Rafael","Synthesis and relative stability of a series of compounds of type [Fe(II)(bztpen)X]+, where bztpen=pentadentate ligand, N5, and X-=monodentate anion.","Inorganic chemistry","2007","46","18","7285","7293","10.1021/ic0620743","","x-ray","0.71073","MoKα","","0.0741","0.0473","","","0.1275","0.137","","","","","","1.018","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338921","18.227","0.0003","17.703","0.0003","18.25","0.0004","90","","90","","90","","5888.77","0.19","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","N-benzyl-N,N?,N?-tris(2-pyridylmethyl)ethylenediamine)(cyanato) iron(II) hexafluorophosphate","","- C28 H29 F6 Fe N6 O P -","- C28 H29 F6 Fe N6 O P -","- C224 H232 F48 Fe8 N48 O8 P8 -","8","1","","Ortega-Villar, Norma; Ugalde-Saldívar, Víctor M; Muñoz, M Carmen; Ortiz-Frade, Luis A; Alvarado-Rodríguez, José G; Real, José A; Moreno-Esparza, Rafael","Synthesis and relative stability of a series of compounds of type [Fe(II)(bztpen)X]+, where bztpen=pentadentate ligand, N5, and X-=monodentate anion.","Inorganic chemistry","2007","46","18","7285","7293","10.1021/ic0620743","","x-ray","0.71073","MoKα","","0.1389","0.0688","","","0.2117","0.2745","","","","","","0.898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338960","14.7169","0.0002","17.8342","0.0002","23.8615","0.0002","90","","90","","90","","6262.79","0.12","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H17 F18 N8 O P3 Ru -","- C23 H17 F18 N8 O P3 Ru -","- C184 H136 F144 N64 O8 P24 Ru8 -","8","1","","Singh, Priti; Fiedler, Jan; Zális, Stanislav; Duboc, Carole; Niemeyer, Mark; Lissner, Falk; Schleid, Thomas; Kaim, Wolfgang","Spectroelectrochemistry and DFT analysis of a new {RuNO}n redox system with multifrequency EPR suggesting conformational isomerism in the {RuNO}7 state.","Inorganic chemistry","2007","46","22","9254","9261","10.1021/ic701206a","","","0.71073","MoKα","","0.1383","0.0868","","","0.1241","0.1367","","","","","","1.189","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338988","13.0587","0.0008","13.283","0.0008","14.2394","0.0008","90","","90","","90","","2469.9","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H21 B2 N3 P2 -","- C6 H21 B2 N3 P2 -","- C48 H168 B16 N24 P16 -","8","1","","Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.","Comparisons of phosphorus ligation properties in P(CH2NR)3P.","Inorganic chemistry","2007","46","22","9351","9363","10.1021/ic0703070","","","0.71073","Mo-Kα","","0.042","0.0362","","","0.1052","0.1092","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338999","13.0132","0.0011","11.9125","0.001","21.4092","0.0019","90","","90","","90","","3318.8","0.5","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C112 H176 N32 S16 -","8","1","","Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard","Applications of bis(1-R-imidazol-2-yl)disulfides and diselenides as ligands for main-group and transition metals: kappa2-(N,N) coordination, S-S bond cleavage, and S-S/E-E (E = S, Se) bond metathesis reactions.","Inorganic chemistry","2007","46","22","9234","9244","10.1021/ic701228y","","","0.71073","MoKα","","0.0859","0.0435","","","0.0915","0.1061","","","","","","1.007","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339042","10.508","0.001","14.823","0.001","35.388","0.003","90","","90","","90","","5512","0.8","133.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl Co N3 O -","- C29 H38 Cl Co N3 O -","- C232 H304 Cl8 Co8 N24 O8 -","8","1","","Shimazaki, Yuichi; Kabe, Ryota; Huth, Stefan; Tani, Fumito; Naruta, Yoshinori; Yamauchi, Osamu","Formation and characterization of Co(III)-semiquinonate phenoxyl radical species.","Inorganic chemistry","2007","46","15","6083","6090","10.1021/ic700596g","","","0.7107","MoKα","","","0.0338","","","","0.089","","","","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339122","10.862","0.002","11.184","0.002","29.688","0.006","90","","90","","90","","3606.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Mn N5 O4 -","- C18 H18 Mn N5 O4 -","- C144 H144 Mn8 N40 O32 -","8","1","","Yuan, Mei; Zhao, Fei; Zhang, Wen; Wang, Zhe-Ming; Gao, Song","Azide-bridged one-dimensional Mn(III) polymers: effects of side group of Schiff base ligands on structure and magnetism.","Inorganic chemistry","2007","46","26","11235","11242","10.1021/ic701655w","","","0.71073","MoKα","","0.1885","0.0455","","","0.0616","0.0744","","","","","","1.013","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339146","14.7439","0.0006","21.8538","0.0009","21.9153","0.0009","90","","90","","90","","7061.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H42 Cl2 O4 P2 Pd -","- C36 H42 Cl2 O4 P2 Pd -","- C288 H336 Cl16 O32 P16 Pd8 -","8","1","","Moiseev, Dmitry V.; Patrick, Brian O.; James, Brian R.","New tertiary phosphines from cinnamaldehydes and diphenylphosphine.","Inorganic chemistry","2007","46","26","11467","11474","10.1021/ic701597g","","","0.71073","MoKα","","0.0889","0.0546","","","0.1023","0.1129","","","","","","1.118","","","","has coordinates,has disorder","179494","2020-10-21","18:00:00",""
"4339199","17.254","0.004","18.011","0.004","20.956","0.004","90","","90","","90","","6512","2","223","2","223","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H42 B Cu N8 O S3 W -","- C24 H42 B Cu N8 O S3 W -","- C192 H336 B8 Cu8 N64 O8 S24 W8 -","8","1","","Wang, Jing; Sun, Zhen-Rong; Deng, Li; Wei, Zheng-Hong; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","Reactions of a tungsten trisulfido complex of hydridotris(3,5-dimethylpyrazol-1-yl)borate (Tp*) [Et(4)N][Tp*WS(3)] with CuX (X = Cl, NCS, or CN): isolation, structures, and third-order NLO properties.","Inorganic chemistry","2007","46","26","11381","11389","10.1021/ic701641h","","","0.71073","MoKα","","0.0907","0.0856","","","0.1943","0.197","","","","","","1.343","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339233","17.6779","0.001","14.6764","0.0008","20.584","0.0011","90","","90","","90","","5340.5","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 N P2 Tl -","- C26 H40 N P2 Tl -","- C208 H320 N8 P16 Tl8 -","8","1","","DeMott, Jessica C.; Basuli, Falguni; Kilgore, Uriah J.; Foxman, Bruce M.; Huffman, John C.; Ozerov, Oleg V.; Mindiola, Daniel J.","Silver(I) and thallium(I) complexes of a PNP ligand and their utility as PNP transfer reagents.","Inorganic chemistry","2007","46","16","6271","6276","10.1021/ic0700598","","","0.71073","MoKα","","0.0602","0.0283","","","0.0549","0.0622","","","","","","0.748","","","","has coordinates","288270","2023-12-12","22:18:42",""
"4339364","17.3952","0.0002","18.426","0.0002","18.8946","0.0002","90","","90","","90","","6056.17","0.12","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H31 Cl N6 O3 Pb S2 -","- C28 H25 Cl N6 O3 Pb S2 -","- C224 H200 Cl8 N48 O24 Pb8 S16 -","8","1","","Calatayud, David G.; López-Torres, Elena; Mendiola, M. Antonia","Diphenyllead(IV) chloride complexes with benzilthiosemicarbazones. The first bis(thiosemicarbazone) derivatives.","Inorganic chemistry","2007","46","24","10434","10443","10.1021/ic701490j","","","1.54178","CuKα","","0.0452","0.0308","","","0.0714","0.0793","","","","","","1.026","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4339395","17.0335","0.0019","20.649","0.002","35.785","0.004","90","","90","","90","","12586","2","210","2","210","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H69.29 Cl Li2 O11.64 Sc Si4 -","- C60 H69.196 Cl Li2 O11.598 Sc Si4 -","- C480 H553.568 Cl8 Li16 O92.784 Sc8 Si32 -","8","1","","Giessmann, Stephan; Blaurock, Steffen; Lorenz, Volker; Edelmann, Frank T.","Structural varieties in heterobimetallic lanthanide disiloxanediolates: ""inorganic metallocenes"" versus in-plane metallacrowns.","Inorganic chemistry","2007","46","24","10383","10389","10.1021/ic701227n","","","0.71073","MoKα","","0.0775","0.0528","","","0.1263","0.14","","","","","","1.009","","","","has coordinates,has disorder","179496","2020-10-21","18:00:00",""
"4339405","11.2163","0.0003","20.0617","0.0004","15.4639","0.0003","90","","90","","90","","3479.66","0.13","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Ca O6 P2 -","- C36 H44 Ca O6 P2 -","- C144 H176 Ca4 O24 P8 -","4","0.5","","Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.","Bis(diphenylphosphido) derivatives of the heavier group 2 elements.","Inorganic chemistry","2007","46","24","10410","10415","10.1021/ic701608x","","x-ray","0.71073","MoKα","","0.0564","0.0435","","","0.1036","0.1101","","","","","","1.048","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339419","15.1049","0.0008","12.3899","0.0007","31.1504","0.0017","90","","90","","90","","5829.7","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H52 Co N O P2 Si2 -","- C23 H52 Co N O P2 Si2 -","- C184 H416 Co8 N8 O8 P16 Si16 -","8","1","","Ingleson, Michael J.; Pink, Maren; Fan, Hongjun; Caulton, Kenneth G.","Exploring the reactivity of four-coordinate PNPCoX with access to three-coordinate spin triplet PNPCo.","Inorganic chemistry","2007","46","24","10321","10334","10.1021/ic701171p","","","0.71073","MoKα","","0.0451","0.0289","","","0.0654","0.0736","","","","","","1.03","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339423","15.094","0.0006","12.507","0.0005","30.9","0.0011","90","","90","","90","","5833.3","0.4","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H52 Cl Co N P2 Si2 -","- C22 H52 Cl Co N P2 Si2 -","- C176 H416 Cl8 Co8 N8 P16 Si16 -","8","1","","Ingleson, Michael J.; Pink, Maren; Fan, Hongjun; Caulton, Kenneth G.","Exploring the reactivity of four-coordinate PNPCoX with access to three-coordinate spin triplet PNPCo.","Inorganic chemistry","2007","46","24","10321","10334","10.1021/ic701171p","","","0.71073","MoKα","","0.0301","0.0239","","","0.059","0.064","","","","","","1.073","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339536","17.069","0.002","18.518","0.002","19.202","0.003","90","","90","","90","","6069.4","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cr N8 -","- C36 H30 Cr N8 -","- C288 H240 Cr8 N64 -","8","1","","Sanyal, Anasuya; Chatterjee, Sudipta; Castiñeiras, Alfonso; Sarkar, Biprajit; Singh, Priti; Fiedler, Jan; Zális, Stanislav; Kaim, Wolfgang; Goswami, Sreebrata","Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors.","Inorganic chemistry","2007","46","21","8584","8593","10.1021/ic700584x","","","0.71073","MoKα","","0.0684","0.0585","","","0.1192","0.1228","","","","","","1.322","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339561","10.245","0.001","19.031","0.001","22.756","0.001","90","","90","","90","","4436.8","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl2 Mn N5 O3 -","- C15 H33 Cl2 Mn N5 O3 -","- C120 H264 Cl16 Mn8 N40 O24 -","8","1","","Liu, Gao-Feng; Filipović, Milos; Heinemann, Frank W.; Ivanović-Burmazović, Ivana","Seven-coordinate iron and manganese complexes with acyclic and rigid pentadentate chelates and their superoxide dismutase activity.","Inorganic chemistry","2007","46","21","8825","8835","10.1021/ic7012039","","","0.71073","MoKα","","0.1231","0.052","","","0.0962","0.1189","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339584","12.1899","0.0005","14.9406","0.0006","24.722","0.001","90","","90","","90","","4502.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H30 F3 N2 O3 Rh S -","- C21 H30 F3 N2 O3 Rh S -","- C168 H240 F24 N16 O24 Rh8 S8 -","8","1","","Vicente, José; Chicote, María Teresa; Vicente-Hernandez, Inmaculada; Bautista, Delia","On the reactivity toward ketones of new methyl amino complexes of Rh(III) and Ag(I). Synthesis of ortho-rhodiated acetophenone methyl imine complexes.","Inorganic chemistry","2007","46","21","8939","8949","10.1021/ic700963h","","","0.71073","MoKα","","0.049","0.0367","","","0.0707","0.0744","","","","","","1.08","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339619","17.8194","0.0008","14.5756","0.0007","19.8223","0.0009","90","","90","","90","","5148.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Cu2 N8 O6 -","- C24 H31.84 Cu2 N8 O6 -","- C192 H254.72 Cu16 N64 O48 -","8","1","","Ghosh, Sanjib; Roehm, Brian; Begum, Rowshan Ara; Kut, Jerry; Hossain, Md Alamgir; Day, Victor W.; Bowman-James, Kristin","Versatile host for metallo anions and cations.","Inorganic chemistry","2007","46","23","9519","9521","10.1021/ic701371f","","","0.71073","MoKα","","0.0349","0.0295","","","0.0778","0.0801","","","","","","1.068","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339620","17.624","0.001","14.705","0.001","19.728","0.001","90","","90","","90","","5112.7","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N8 Ni2 O6 -","- C24 H31.52 N8 Ni2 O6 -","- C192 H252.16 N64 Ni16 O48 -","8","1","","Ghosh, Sanjib; Roehm, Brian; Begum, Rowshan Ara; Kut, Jerry; Hossain, Md Alamgir; Day, Victor W.; Bowman-James, Kristin","Versatile host for metallo anions and cations.","Inorganic chemistry","2007","46","23","9519","9521","10.1021/ic701371f","","","0.71073","MoKα","","0.0467","0.0357","","","0.0934","0.0976","","","","","","1.037","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339661","15.6887","0.0016","13.5545","0.0014","17.3368","0.0019","90","","90","","90","","3686.7","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 O18 V4 -","- C30 H46 O18 V4 -","- C120 H184 O72 V16 -","4","0.5","","Tidmarsh, Ian S.; Scales, Emma; Brearley, Paul R.; Wolowska, Joanna; Sorace, Lorenzo; Caneschi, Andrea; Laye, Rebecca H.; McInnes, Eric J. L.","Synthesis, structural, and magnetic studies on a redox family of tetrametallic vanadium clusters: {VIV4}, {VIII2VIV2}, and {VIII4} butterfly complexes.","Inorganic chemistry","2007","46","23","9743","9753","10.1021/ic7011183","","","0.71073","MoKα","","0.0864","0.0504","","","0.1093","0.1482","","","","","","0.989","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339663","16.4089","0.0006","14.1745","0.0005","16.569","0.0005","90","","90","","90","","3853.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H50 O16 V4 -","- C32 H50 O16 V4 -","- C128 H200 O64 V16 -","4","0.5","","Tidmarsh, Ian S.; Scales, Emma; Brearley, Paul R.; Wolowska, Joanna; Sorace, Lorenzo; Caneschi, Andrea; Laye, Rebecca H.; McInnes, Eric J. L.","Synthesis, structural, and magnetic studies on a redox family of tetrametallic vanadium clusters: {VIV4}, {VIII2VIV2}, and {VIII4} butterfly complexes.","Inorganic chemistry","2007","46","23","9743","9753","10.1021/ic7011183","","","0.7107","MoKα","","0.0533","0.0357","","","0.0978","0.1068","","","","","","0.988","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339709","14.8422","0.0002","21.3463","0.0002","23.7846","0.0002","90","","90","","90","","7535.58","0.14","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H50 Cl4 I10 O24 -","- C60 H50 Cl4 I10 O24 -","- C240 H200 Cl16 I40 O96 -","4","0.5","","Richter, Helen W.; Koser, Gerald F.; Incarvito, Christopher D.; Rheingold, Arnold L.","Preparation and structure of a solid-state hypervalent-iodine polymer containing iodine and oxygen atoms in fused 12-atom hexagonal rings.","Inorganic chemistry","2007","46","14","5555","5561","10.1021/ic0701716","","","0.71073","MoKα","","0.0515","0.0406","","","0.1121","0.1222","","","","","","1.598","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339748","18.1012","0.0003","15.7016","0.0003","22.6629","0.0002","90","","90","","90","","6441.2","0.17","150","2","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H33 Cl N4 Ni O6 -","- C35 H33 Cl N4 Ni O6 -","- C280 H264 Cl8 N32 Ni8 O48 -","8","1","","Szajna-Fuller, Ewa; Rudzka, Katarzyna; Arif, Atta M.; Berreau, Lisa M.","Acireductone dioxygenase- (ARD-) type reactivity of a nickel(II) complex having monoanionic coordination of a model substrate: product identification and comparisons to unreactive analogues.","Inorganic chemistry","2007","46","14","5499","5507","10.1021/ic061177i","","","0.71073","MoKα","","0.0724","0.0476","","","0.1204","0.1384","","","","","","1.014","","","","has coordinates,has disorder","179500","2020-10-21","18:00:00",""
"4339807","15.0843","0.0006","12.5588","0.0005","31.2717","0.0012","90","","90","","90","","5924.1","0.4","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H52 N2 O P2 Ru Si2 -","- C22 H52 N2 O P2 Ru Si2 -","- C176 H416 N16 O8 P16 Ru8 Si16 -","8","1","","Walstrom, Amy; Pink, Maren; Fan, Hongjun; Tomaszewski, John; Caulton, Kenneth G.","Radical (NO) and nonradical (N(2)O) reagents convert a ruthenium(IV) nitride to the same nitrosyl complex.","Inorganic chemistry","2007","46","19","7704","7706","10.1021/ic700789y","","","0.71073","MoKα","","0.0327","0.0234","","","0.0536","0.0638","","","","","","1.123","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4339850","16.0106","0.0012","19.5188","0.0018","25.744","0.002","90","","90","","90","","8045.2","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H67 Fe N3 P2 -","- C43 H67 Fe N3 P2 -","- C344 H536 Fe8 N24 P16 -","8","1","","Bart, Suzanne C.; Lobkovsky, Emil; Bill, Eckhard; Wieghardt, Karl; Chirik, Paul J.","Neutral-ligand complexes of bis(imino)pyridine iron: synthesis, structure, and spectroscopy.","Inorganic chemistry","2007","46","17","7055","7063","10.1021/ic700869h","","","0.71073","MoKα","","0.0529","0.0402","","","0.1083","0.1171","","","","","","1.103","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339859","25.229","0.013","20.655","0.01","33.56","0.016","90","","90","","90","","17488","15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H192 Mn22 N4 O78 -","- C102 H192 Mn22 N4 O78 -","- C408 H768 Mn88 N16 O312 -","4","0.5","","Manoli, Maria; Prescimone, Alessandro; Bagai, Rashmi; Mishra, Abhudaya; Murugesu, Muralee; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.","High-spin Mn wheels.","Inorganic chemistry","2007","46","17","6968","6979","10.1021/ic7007528","","","0.71073","MoKα","","0.2461","0.0819","","","0.2312","0.2747","","","","","","0.947","","","","has coordinates","179501","2020-10-21","18:00:00",""
"4339860","25.1814","0.0012","20.8101","0.001","33.712","0.0016","90","","90","","90","","17666","1.5","150","","150","","","","","","","","M.Manoli","6","P b c a","-P 2ac 2ab","61","","","","- C109 H208 Br8 Mn22 N4 O81 -","- C92 H160 Br8 Mn22 N4 O76 -","- C368 H640 Br32 Mn88 N16 O304 -","4","0.5","","Manoli, Maria; Prescimone, Alessandro; Bagai, Rashmi; Mishra, Abhudaya; Murugesu, Muralee; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.","High-spin Mn wheels.","Inorganic chemistry","2007","46","17","6968","6979","10.1021/ic7007528","","","0.71073","MoKα","","0.0762","0.0496","","0.0413","0.0366","0.0366","","","","","","1.1538","","","","has coordinates,has disorder","179501","2020-10-21","18:00:00",""
"4339964","15.4706","0.0017","18.03","0.002","34.053","0.004","90","","90","","90","","9498.6","1.9","123.15","","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H71 N Na2 O6 -","- C49 H71 N Na2 O6 -","- C392 H568 N8 Na16 O48 -","8","1","","Ishida, Yutaka; Kawaguchi, Hiroyuki","Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.","Inorganic chemistry","2014","53","13","6775","6787","10.1021/ic5005853","","","0.71075","MoKα","","0.1001","0.0822","","","0.1933","0.2062","","","","","","1.172","","","","has coordinates,has disorder","179502","2020-10-21","18:00:00",""
"4339985","5.4153","0.0002","14.2437","0.0006","15.7595","0.0007","90","","90","","90","","1215.59","0.09","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi2 Co O7 S -","- Bi2 Co O7 S -","- Bi16 Co8 O56 S8 -","8","1","","Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier","Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.","Inorganic chemistry","2014","53","13","6969","6978","10.1021/ic500877z","","","0.71073","MoKα","","0.0256","0.022","","","0.0264","0.0268","","","","1.63","1.63","1.57","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339990","8.499","0.002","9.246","0.002","11.9","0.002","90","","90","","90","","935.1","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H4 O4 Se -","- C2 H4 O4 Se -","- C16 H32 O32 Se8 -","8","1","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0279","0.0244","","","0.0552","0.0568","","","","","","1.169","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340074","9.9988","0.0006","15.4852","0.001","34.356","0.002","90","","90","","90","","5319.5","0.6","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl Co O P2 -","- C27 H38 Cl Co O P2 -","- C216 H304 Cl8 Co8 O8 P16 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.1028","0.0824","","","0.128","0.1333","","","","","","1.256","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340076","10.2443","0.0008","18.9199","0.0015","30.626","0.003","90","","90","","90","","5936","0.9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cu F3 O3 P2 S -","- C27 H38 Cu F3 O3 P2 S -","- C216 H304 Cu8 F24 O24 P16 S8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0476","0.0379","","","0.091","0.0982","","","","","","1.049","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340123","13.2623","0.0011","22.7489","0.0019","32.187","0.003","90","","90","","90","","9710.9","1.5","123","2","123","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","Ru_trpy_dppbz_MeCN_PF6","","- C48 H40 Cl2 F12 N4 P4 Ru -","- C48 H40 Cl2 F12 N4 P4 Ru -","- C384 H320 Cl16 F96 N32 P32 Ru8 -","8","1","","Nakamura, Go; Okamura, Masaya; Yoshida, Masaki; Suzuki, Takayoshi; Takagi, Hideo D.; Kondo, Mio; Masaoka, Shigeyuki","Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand.","Inorganic chemistry","2014","53","14","7214","7226","10.1021/ic5003644","","","0.71073","MoKα","","0.0701","0.0554","","","0.1371","0.1491","","","","","","1.086","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340196","13.112","0.002","15.205","0.0018","18.5276","0.0019","90","","90","","90","","3693.8","0.8","146","2","146","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Cu N3 O5 -","- C19 H19.355 Cu N3 O5 -","- C152 H154.84 Cu8 N24 O40 -","8","1","","Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias","Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.","Inorganic chemistry","2006","45","3","1277","1288","10.1021/ic051016z","","","0.71073","MoKα","","0.0823","0.0466","","","0.0926","0.1067","","","","","","1.092","","","","has coordinates,has disorder","179504","2020-10-21","18:00:00",""
"4340314","16.1443","0.0002","17.4185","0.0003","22.8343","0.0003","90","","90","","90","","6421.22","0.16","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H39 Cu Fe N2 O2 -","- C33 H39 Cu Fe N2 O2 -","- C264 H312 Cu8 Fe8 N16 O16 -","8","1","","Jayarathne, Upul; Parmelee, Sean R.; Mankad, Neal P.","Small Molecule Activation Chemistry of Cu-Fe Heterobimetallic Complexes Toward CS2 and N2O.","Inorganic chemistry","2014","53","14","7730","7737","10.1021/ic501054z","","","0.7107","MoKα","","0.038","0.0292","","","0.0694","0.0738","","","","","","1.036","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340378","12.4041","0.0011","14.4224","0.0013","21.608","0.002","90","","90","","90","","3865.6","0.6","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C16 H18 As F3 N O3 P S -","- C16 H18 As F3 N O3 P S -","- C128 H144 As8 F24 N8 O24 P8 S8 -","8","1","","Burford, Neil; Ragogna, Paul J.; Sharp, Kendall; McDonald, Robert; Ferguson, Michael J.","Arsinophosphonium cations from arsenium-phosphine and -bisphosphine coordination chemistry.","Inorganic chemistry","2005","44","25","9453","9460","10.1021/ic050989w","","","0.71073","MoKα","","0.0899","0.0468","","","0.089","0.1017","","","","","","1.049","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340389","19.617","0.002","16.5862","0.0016","27.867","0.003","90","","90","","90","","9067.1","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H66 B2 Li2 N8 O4 -","- C42 H66 B2 Li2 N8 O4 -","- C336 H528 B16 Li16 N64 O32 -","8","1","","Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.","Inorganic chemistry","2005","44","25","9489","9496","10.1021/ic051689h","","","0.71073","MoKα","","0.1971","0.0725","","","0.1358","0.1792","","","","","","0.846","","","","has coordinates","179506","2020-10-21","18:00:00",""
"4340403","11.5004","0.0008","10.8436","0.0007","27.6737","0.0019","90","","90","","90","","3451.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Ag N4 O4 S -","- C16 H21 Ag N4 O4 S -","- C128 H168 Ag8 N32 O32 S8 -","8","1","","Li, Fang-Fang; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min","Influence of neutral ligands on the structures of silver(I) sulfonates.","Inorganic chemistry","2005","44","25","9374","9383","10.1021/ic050984z","","","0.71073","MoKα","","0.0404","0.0315","","","0.0719","0.0759","","","","","","1.014","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340423","14.9282","0.0002","11.7063","0.0001","27.935","0.0003","90","","90","","90","","4881.75","0.09","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]cobalt(II) (compound 4)","","- C25 H27 Br2 Co Fe N3 -","- C25 H27 Br2 Co Fe N3 -","- C200 H216 Br16 Co8 Fe8 N24 -","8","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.1112","0.098","","","0.2308","0.2419","","","","","","1.3","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340425","14.7899","0.0002","11.7343","0.0002","27.8198","0.0004","90","","90","","90","","4828.1","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo[bis(2-{pyrid-2-yl}ethyl)(ferrocenylmethyl)amine]copper(II)","","- C25 H27 Br2 Cu Fe N3 -","- C25 H27 Br2 Cu Fe N3 -","- C200 H216 Br16 Cu8 Fe8 N24 -","8","1","","Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.","An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.","Inorganic chemistry","2005","44","12","4136","4138","10.1021/ic050270o","","","0.71073","MoKα","","0.0865","0.0496","","","0.1097","0.1251","","","","","","1.041","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340453","18.7675","0.0004","15.7753","0.0003","21.2437","0.0005","90","","90","","90","","6289.5","0.2","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C72 H78 Fe2 N8 -","- C72 H78 Fe2 N8 -","- C288 H312 Fe8 N32 -","4","0.5","","Morris, Wesley D.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Cundari, Thomas R.; Lobkovsky, Emil B.","Iron and chromium complexes containing tridentate chelates based on nacnac and imino- and methyl-pyridine components: triggering C-x bond formation.","Inorganic chemistry","2014","53","14","7467","7484","10.1021/ic500807y","","","0.71073","MoKα","","0.0744","0.042","","","0.102","0.1176","","","","","","1.011","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340531","5.6607","0.0003","7.2774","0.0004","7.5599","0.0005","90","","90","","90","","311.43","0.03","100","2","100","","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","zinc monoarsenide","","","- As Zn -","- As Zn -","- As8 Zn8 -","8","1","","Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich","Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.","Inorganic chemistry","2014","53","16","8691","8699","10.1021/ic501308q","","x-ray","0.56087","AgKα","","0.0152","0.0152","","","0.0225","0.0225","","","","1.43","1.43","1.43","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340532","5.6731","0.0001","7.2754","0.0002","7.5572","0.0002","90","","90","","90","","311.916","0.013","300","2","300","","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","zinc monoarsenide","","","- As Zn -","- As Zn -","- As8 Zn8 -","8","1","","Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich","Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.","Inorganic chemistry","2014","53","16","8691","8699","10.1021/ic501308q","","x-ray","0.56087","AgKα","","0.0158","0.0158","","","0.0218","0.0218","","","","1.36","1.36","1.36","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340561","13.3034","0.0007","17.3503","0.0009","33.9222","0.0017","90","","90","","90","","7829.9","0.7","88","2","88","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41.5 H70 N2 O2 Th -","- C41.5 H66 N2 O2 Th -","- C332 H528 N16 O16 Th8 -","8","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0475","0.033","","","0.0672","0.0716","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340564","18.7903","0.0013","18.0637","0.0013","18.8533","0.0013","90","","90","","90","","6399.2","0.8","88","2","88","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H57 N O Th -","- C36 H57 N O Th -","- C288 H456 N8 O8 Th8 -","8","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0274","0.0188","","","0.0379","0.0407","","","","","","1.023","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340602","13.85","0.001","14.5076","0.0011","30.183","0.003","90","","90","","90","","6064.7","0.9","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H32 Mo O4 P2 -","- C34 H32 Mo O4 P2 -","- C272 H256 Mo8 O32 P16 -","8","1","","Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.","Inorganic chemistry","2014","53","16","8795","8808","10.1021/ic5014768","","","0.71075","MoKα","","","0.0438","","","","0.0959","","","","","","1.042","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340647","9.812","0.003","8.147","0.003","13.026","0.004","90","","90","","90","","1041.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- F O5 Pb Se V -","- F O5 Pb Se V -","- F8 O40 Pb8 Se8 V8 -","8","1","","Cao, Xue-Li; Kong, Fang; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4V6O16(SeO3)3(H2O), Pb2VO2(SeO3)2Cl, and PbVO2(SeO3)F: New Lead(II)-Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons.","Inorganic chemistry","2014","53","16","8816","8824","10.1021/ic501548m","","","0.71073","MoKα","","0.0339","0.0308","","","0.0718","0.0734","","","","","","1.04","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340666","17.0147","0.0014","17.9627","0.0015","20.3387","0.0017","90","","90","","90","","6216.1","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H48 B F4 P2 Rh -","- C33 H48 B F4 P2 Rh -","- C264 H384 B8 F32 P16 Rh8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","Flexible Coordination of Diphosphine Ligands Leading to cis and trans Pd(0), Pd(II), and Rh(I) Complexes.","Inorganic chemistry","2014","53","16","8517","8528","10.1021/ic5010566","","","0.71073","MoKα","","0.0437","0.0275","","","0.0588","0.0641","","","","","","1.02","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340675","19.4433","0.0007","19.632","0.0007","23.2293","0.0008","90","","90","","90","","8866.9","0.5","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H69 K N4 Si7 U -","- C27 H69 K N4 Si7 U -","- C216 H552 K8 N32 Si56 U8 -","8","1","","Mullane, Kimberly C.; Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Anomalous one-electron processes in the chemistry of uranium nitrogen multiple bonds.","Inorganic chemistry","2014","53","17","9129","9139","10.1021/ic501149u","","","0.71073","MoKα","","0.0399","0.0254","","","0.0507","0.0595","","","","","","1.221","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340722","19.44","0.004","7.5603","0.0015","24.644","0.005","90","","90","","90","","3622","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H48 Cd3 Cl10 N4 -","- C20 H48 Cd3 Cl10 N4 -","- C80 H192 Cd12 Cl40 N16 -","4","0.5","","Liao, Wei-Qiang; Mei, Guang-Quan; Ye, Heng-Yun; Mei, Ying-Xuan; Zhang, Yi","Structural Phase Transitions of a Layered Organic-Inorganic Hybrid Compound: Tetra(cyclopentylammonium) Decachlorotricadmate(II), [C5H9NH3]4Cd3Cl10.","Inorganic chemistry","2014","53","17","8913","8918","10.1021/ic500554z","","","0.71073","MoKα","","0.0758","0.0613","","","0.1621","0.1691","","","","","","1.133","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4340740","11.4199","0.0004","26.3839","0.0008","26.4205","0.0008","90","","90","","90","","7960.5","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H53 N2 Ni O2.5 -","- C46 H53 N2 Ni O2.5 -","- C368 H424 N16 Ni8 O20 -","8","1","","Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).","Inorganic chemistry","2014","53","16","8825","8837","10.1021/ic5017214","","","0.71073","MoKα","","0.0686","0.0393","","","0.1034","0.1115","","","","","","0.983","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340837","16.1394","0.0003","17.7404","0.0003","28.0039","0.0005","90","","90","","90","","8018.1","0.2","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (3,3'-dimethyl-2,2'-dipyridylamine) copper hexafluorophosphate","","- C39 H49 Cu F6 N5 P -","- C39 H49 Cu F6 N5 P -","- C312 H392 Cu8 F48 N40 P8 -","8","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.0682","0.0468","","","0.1356","0.1537","","","","","","1.027","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340838","15.3714","0.0003","16.9525","0.0004","26.5793","0.0006","90","","90","","90","","6926.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,3-bis(2,6-di-iso-propylphenyl)imidazol-2-ylidene) (2,2'bipyridine) copper tetrafluoroborate","","- C37 H44 B Cu F4 N4 -","- C37 H44 B Cu F4 N4 -","- C296 H352 B8 Cu8 F32 N32 -","8","1","","Marion, Ronan; Sguerra, Fabien; Di Meo, Florent; Sauvageot, Elodie; Lohier, Jean-François; Daniellou, Richard; Renaud, Jean-Luc; Linares, Mathieu; Hamel, Matthieu; Gaillard, Sylvain","NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies.","Inorganic chemistry","2014","53","17","9181","9191","10.1021/ic501230m","","","0.71073","MoKα","","0.052","0.0426","","","0.1148","0.1186","","","","","","1.069","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340860","13.4171","0.0004","13.8162","0.0003","23.3326","0.0006","90","","90","","90","","4325.24","0.19","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H33 B11 N2 O -","- C12 H33 B11 N2 O -","- C96 H264 B88 N16 O8 -","8","1","","Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik","Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).","Inorganic chemistry","2014","53","17","9385","9399","10.1021/ic501526g","","","0.71073","MoKα","","0.0902","0.0568","","","0.1007","0.107","","","","","","1.078","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340883","14.303","0.005","16.389","0.006","19.923","0.007","90","","90","","90","","4670","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Fe I N4 O2 -","- C21 H24 Fe I N4 O2 -","- C168 H192 Fe8 I8 N32 O16 -","8","1","","Pinder, Tiffany A.; Montalvo, Steven K.; Hsieh, Chung-Hung; Lunsford, Allen M.; Bethel, Ryan D.; Pierce, Brad S.; Darensbourg, Marcetta Y.","Metallodithiolates as ligands to dinitrosyl iron complexes: toward the understanding of structures, equilibria, and spin coupling.","Inorganic chemistry","2014","53","17","9095","9105","10.1021/ic501117f","","","0.71073","MoKα","","0.0561","0.0334","","","0.0703","0.0793","","","","","","1.025","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4340940","19.4563","0.0014","16.6268","0.0013","28.694","0.002","90","","90","","90","","9282.4","1.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H42 Cl N4 O16 Yb Zn2 -","- C38 H42 Cl N4 O16 Yb Zn2 -","- C304 H336 Cl8 N32 O128 Yb8 Zn16 -","8","1","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.0869","0.05","","","0.1525","0.1676","","","","","","1.002","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340944","19.438","0.003","16.621","0.003","28.614","0.005","90","","90","","90","","9245","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H42 Cl N4 O16 Tb Zn2 -","- C38 H42 Cl N4 O16 Tb Zn2 -","- C304 H336 Cl8 N32 O128 Tb8 Zn16 -","8","1","","Zheng, Zhi-Peng; Ou, Yan-Jun; Hong, Xu-Jia; Wei, Lei-Ming; Wan, Lin-Tao; Zhou, Wo-Hua; Zhan, Qing-Guang; Cai, Yue-Peng","Anion-dependent assembly of four sensitized near-infrared luminescent heteronuclear Zn(II)-Yb(III) Schiff base complexes from a trinuclear Zn(II) complex.","Inorganic chemistry","2014","53","18","9625","9632","10.1021/ic501118b","","","0.71073","MoKα","","0.0816","0.0531","","","0.1555","0.1773","","","","","","1.061","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4341075","16.5015","0.0006","17.282","0.0006","22.4294","0.0009","90","","90","","90","","6396.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H34 B K P2 -","- C38 H34 B K P2 -","- C304 H272 B8 K8 P16 -","8","1","","Malbrecht, Brian J.; Dube, Jonathan W.; Willans, Mathew J.; Ragogna, Paul J.","Addressing the chemical sorcery of ""GaI"": benefits of solid-state analysis aiding in the synthesis of P→Ga coordination compounds.","Inorganic chemistry","2014","53","18","9644","9656","10.1021/ic501139w","","","0.71073","MoKα","","0.1005","0.0771","","","0.211","0.2273","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341095","12.406","0.0019","18.128","0.003","21.255","0.003","90","","90","","90","","4780.2","1.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H56 Ag2 Ge2 I2 N4 S2 -","- C42 H56 Ag2 Ge2 I2 N4 S2 -","- C168 H224 Ag8 Ge8 I8 N16 S8 -","4","0.5","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0773","0.0523","","","0.1292","0.1516","","","","","","1.083","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341124","18.2299","0.0017","16.8979","0.0016","39.677","0.004","90","","90","","90","","12222","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pb(DOPO)2 . 2C6H6","Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)lead(II) dibenzene solvate","","- C68 H88 N2 O6 Pb -","- C68 H88 N2 O6 Pb -","- C544 H704 N16 O48 Pb8 -","8","1","","Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.","Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides","Inorganic Chemistry","2014","","","140923084651005","","10.1021/ic501222n","","","0.71073","MoKα","","0.0544","0.0371","","","0.0834","0.0897","","","","","","1.083","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341209","16.6588","0.0015","17.6541","0.0017","19.2806","0.0018","90","","90","","90","","5670.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H21 Eu N4 O8 -","- C32 H21 Eu N4 O8 -","- C256 H168 Eu8 N32 O64 -","8","1","","Zhang, Sheng; Yang, Yang; Xia, Zheng-Qiang; Liu, Xiang-Yu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, San-Ping; Gao, Sheng-Li","Eu-MOFs with 2-(4-Carboxyphenyl)imidazo[4,5-f]-1,10-phenanthroline and Ditopic Carboxylates as Coligands: Synthesis, Structure, High Thermostability, and Luminescence Properties.","Inorganic chemistry","2014","53","20","10952","10963","10.1021/ic501253c","","","0.71073","MoKα","","0.0793","0.0435","","","0.0804","0.0928","","","","","","1","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341222","17.0525","0.0012","21.5547","0.0016","47.094","0.003","90","","90","","90","","17310","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C85 H110 Cu4 N8 O Si2 -","- C85 H110 Cu4 N8 O Si2 -","- C680 H880 Cu32 N64 O8 Si16 -","8","1","","Liu, Jun-Feng; Min, Xue; Lv, Jin-Yu; Pan, Fu-Xing; Pan, Qing-Jiang; Sun, Zhong-Ming","Ligand-controlled syntheses of copper(i) complexes with metal-metal interactions: crystal structure and relativistic density functional theory investigation.","Inorganic chemistry","2014","53","20","11068","11074","10.1021/ic5015797","","","0.71073","MoKα","","0.1883","0.0741","","","0.1845","0.2412","","","","","","1.006","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341254","10.673","0.0001","8.265","0.0001","13.5683","0.0002","90","","90","","90","","1196.89","0.03","298","0.2","298","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In Na O6 Te2 -","- In Na O6 Te2 -","- In8 Na8 O48 Te16 -","8","1","","Bae, Su-Whan; Kim, Choong-Yeol; Lee, Dong Woo; Ok, Kang Min","Cooperative Effects of Cation Size and Variable Coordination Modes of Te(4+) on the Frameworks of New Alkali Metal Indium Tellurites, NaIn(TeO3)2, KIn(TeO3)2, RbInTe3O8, and CsInTe3O8.","Inorganic chemistry","2014","53","20","11328","11334","10.1021/ic502108a","","","0.71073","MoKα","","0.0325","0.0253","","","0.0533","0.0552","","","","","","0.939","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4341371","18.573","0.004","17.652","0.004","22.194","0.004","90","","90","","90","","7276","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H44 Co N2 O7 -","- C43 H44 Co N2 O7 -","- C344 H352 Co8 N16 O56 -","8","1","","Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.","Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.","Inorganic chemistry","2014","53","21","11675","11681","10.1021/ic501883z","","","0.71073","MoKα","","0.1134","0.0633","","","0.1461","0.169","","","","","","1.06","","","","has coordinates,has disorder","179516","2020-10-21","18:00:00",""
"4341446","21.8299","0.0003","13.12475","0.00011","22.6416","0.0003","90","","90","","90","","6487.09","0.14","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Ag F3 N4 O3 P S -","- C28 H25 Ag F3 N4 O3 P S -","- C224 H200 Ag8 F24 N32 O24 P8 S8 -","8","1","","Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine","Inorganic Chemistry","2014","","","141106150122003","","10.1021/ic5019357","","","1.54184","CuKα","","0.0378","0.0331","","","0.0887","0.0922","","","","","","1.07","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341515","19.3996","0.0018","15.3683","0.0012","30.582","0.003","90","","90","","90","","9117.7","1.4","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bromo[4-(diphenylphosphino)bencoic acid]gold(I)","","- C20 H16 Au Br Cl3 O2 P -","- C20 H16 Au Br Cl3 O2 P -","- C320 H256 Au16 Br16 Cl48 O32 P16 -","16","2","","Kriechbaum, Margit; List, Manuela; Himmelsbach, Markus; Redhammer, Günther J; Monkowius, Uwe","Peptide Coupling between Amino Acids and the Carboxylic Acid of a Functionalized Chlorido-gold(I)-phosphane.","Inorganic chemistry","2014","53","19","10602","10610","10.1021/ic5017142","","","0.71073","MoKα","","0.0453","0.0324","","","0.0752","0.0824","","","","","","1.034","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4341584","24.9134","0.0006","13.2096","0.0004","27.1065","0.0008","90","","90","","90","","8920.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Fe4 Se6 Sn4 -","- C40 H36 Fe4 Se6 Sn4 -","- C320 H288 Fe32 Se48 Sn32 -","8","1","","You, Zhiliang; Bergunde, Jakob; Gerke, Birgit; Pöttgen, Rainer; Dehnen, Stefanie","Ferrocenyl-Functionalized Sn/Se and Sn/Te Complexes: Synthesis, Reactivity, Optical, and Electronic Properties.","Inorganic chemistry","2014","","","141114120738008","","10.1021/ic502026g","","","0.71073","MoKα","","0.0603","0.0338","","","0.0756","0.0841","","","","","","1.041","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341592","7.339","0.003","13.48","0.005","22.404","0.012","90","","90","","90","","2216.4","1.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H17 N O -","- C11 H17 N O -","- C88 H136 N8 O8 -","8","1","","Leppin, Jana; Förster, Christoph; Heinze, Katja","Molybdenum Complex with Bulky Chelates as a Functional Model for Molybdenum Oxidases.","Inorganic chemistry","2014","","","141113093953007","","10.1021/ic501751p","","","0.71073","MoKα","","0.1532","0.0499","","","0.0947","0.1189","","","","","","0.755","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4341614","8.2265","0.0006","18.7004","0.0013","20.3297","0.0014","90","","90","","90","","3127.5","0.4","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Cr2 N8 O8 -","- C28 H36 Cr2 N8 O8 -","- C112 H144 Cr8 N32 O32 -","4","0.5","","Fritsch, Nico; Wick, Christian R.; Waidmann, Thomas; Dral, Pavlo O.; Tucher, Johannes; Heinemann, Frank W.; Shubina, Tatyana E.; Clark, Timothy; Burzlaff, Nicolai","Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand.","Inorganic chemistry","2014","","","141113134903008","","10.1021/ic501435a","","x-ray","0.71073","MoKα","","0.0383","0.0296","","","0.0749","0.0802","","","","","","1.076","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341695","11.357","0.0008","19.37","0.0013","35.211","0.002","90","","90","","90","","7745.9","0.9","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H54 O12 Zr -","- C30 H54 O12 Zr -","- C240 H432 O96 Zr8 -","8","1","","Boyle, Timothy J.; Yonemoto, Daniel T.; Doan, Thu Q.; Alam, Todd M.","Synthesis and Structural Characterization of Group 4 Metal Carboxylates for Nanowire Production.","Inorganic chemistry","2014","","","141117102556003","","10.1021/ic501904m","","","0.71073","MoKα","","0.0945","0.06","","","0.1655","0.1945","","","","","","1.183","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341801","13.6859","0.0008","13.3134","0.0008","30.043","0.0018","90","","90","","90","","5474","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H35 Cl3 N5 O4 Pd -","- C24 H35 Cl3 N5 O4 Pd -","- C192 H280 Cl24 N40 O32 Pd8 -","8","1","","Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.","The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.","Inorganic chemistry","2014","","","141126065928000","","10.1021/ic5023054","","","0.71073","MoKα","","0.0482","0.0269","","","0.0534","0.0627","","","","","","1.053","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341864","18.1811","0.0003","19.7386","0.0002","22.4595","0.0003","90","","90","","90","","8060.03","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80 H80 Au4 Cl2 O10 P6 -","- C80 H80 Au4 Cl2 O10 P6 -","- C320 H320 Au16 Cl8 O40 P24 -","4","0.5","","Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.","Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.","Inorganic chemistry","2014","","","141201154356007","","10.1021/ic501470v","","","0.71073","MoKα","","0.0383","0.0243","","","0.0494","0.0534","","","","","","1.001","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341870","6.4955","0.0002","18.4218","0.0004","20.1841","0.0004","90","","90","","90","","2415.21","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H11 Cu3 Ge N2 S4 -","- C5 H3 Cu3 Ge N2 S4 -","- C40 H24 Cu24 Ge8 N16 S32 -","8","1","","Lin, Qipu; Zhang, Zhenyu; Bu, Xianhui; Feng, Pingyun","Polymorphic Graphene-like Cuprous Germanosulfides with a High Cu-to-Ge Ratio and Low Band Gap.","Inorganic chemistry","2014","","","141126065759003","","10.1021/ic502527g","","","0.71073","MoKα","","0.0488","0.032","","","0.0687","0.0718","","","","","","0.978","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341927","20.194","0.005","24.61","0.005","26.983","0.005","90","0.005","90","0.005","90","0.005","13410","5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C73 H57 N9 O13 Yb2 -","- C73 H57 N9 O13 Yb2 -","- C584 H456 N72 O104 Yb16 -","8","1","","Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming","Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.","Inorganic chemistry","2015","54","1","221","228","10.1021/ic502194d","","","0.71069","MoKα","","0.0476","0.0312","","","0.0682","0.0779","","","","","","1.169","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341940","16.9876","0.0004","17.7901","0.0006","18.8103","0.0005","90","","90","","90","","5684.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H21 Al F9 N3 O6 -","- C24 H21 Al F9 N3 O6 -","- C192 H168 Al8 F72 N24 O48 -","8","1","","Czympiel, Lisa; Pfrommer, Johannes; Tyrra, Wieland; Schäfer, Mathias; Mathur, Sanjay","Ligand-Modulated Chemical and Structural Implications in Four-, Five-, and Six-fold Coordinated Aluminum Heteroaryl Alkenolates.","Inorganic chemistry","2015","54","1","25","37","10.1021/ic502549m","","","0.71073","MoKα","","0.0734","0.0557","","","0.1634","0.1816","","","","","","1.049","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341968","23.372","0.003","24.291","0.002","24.673","0.002","90","","90","","90","","14008","2","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dodecakis(μ~2~-sulfido)-hexakis(4-methylpentan-2-one-C,O)-di-tin(iii)-hexa- tin(iv) dichloromethane hydrogen sulfide solvate","","- C36 H66 O6 S12 Sn8 -","- C36 H66 O6 S12 Sn8 -","- C288 H528 O48 S96 Sn64 -","8","1","","Eußner, Jens P; Barth, Beatrix E. K.; Justus, Uwe; Rosemann, Nils W.; Chatterjee, Sangam; Dehnen, Stefanie","Revisiting [(RSn(IV))6Sn(III)2S12]: Directed Synthesis, Crystal Transformation, and Luminescence Properties.","Inorganic chemistry","2015","54","1","22","24","10.1021/ic502627h","","","0.71073","MoKα","","0.1255","0.0544","","","0.1059","0.123","","","","","","0.723","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342152","14.8935","0.0014","12.4167","0.0011","25.542","0.002","90","","90","","90","","4723.4","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H60.22 B2 Fe2 Li2 O2 P2 -","- C52 H60.224 B2 Fe2 Li2 O2 P2 -","- C208 H240.896 B8 Fe8 Li8 O8 P8 -","4","0.5","","Abubekerov, Mark; Diaconescu, Paula L.","Synthesis and Characterization of Ferrocene-Chelating Heteroscorpionate Complexes of Nickel(II) and Zinc(II).","Inorganic chemistry","2015","54","4","1778","1784","10.1021/ic502691b","","","0.71073","MoKα","","0.1093","0.0779","","","0.193","0.2127","","","","","","1.054","","","","has coordinates,has disorder","179524","2020-10-21","18:00:00",""
"4342203","18.585","0.0002","25.355","0.0002","26.306","0.0002","90","","90","","90","","12396","0.19","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C26.5 H29 Br Cl F6 N6 P Pd -","- C26.5 H29 Br Cl F6 N6 P Pd -","- C424 H464 Br16 Cl16 F96 N96 P16 Pd16 -","16","2","","Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.","Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole ""Click"" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.","Inorganic chemistry","2015","54","4","1572","1587","10.1021/ic502557w","","","1.54184","CuKα","","0.0389","0.0319","","","0.0883","0.0968","","","","","","1.09","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342283","17.2945","0.0003","14.4199","0.0002","27.1372","0.0004","90","","90","","90","","6767.61","0.18","149.8","0.4","149.8","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H41 K O8 -","- C39 H41 K O8 -","- C312 H328 K8 O64 -","8","1","","Xiong, Jiao; Zhang, Jinjin; Sun, Yangyang; Dai, Zhongran; Pan, Xiaobo; Wu, Jincai","Iso-Selective Ring-Opening Polymerization of rac-Lactide Catalyzed by Crown Ether Complexes of Sodium and Potassium Naphthalenolates.","Inorganic chemistry","2015","54","4","1737","1743","10.1021/ic502685f","","","1.54184","CuKα","","0.0478","0.0445","","","0.1171","0.1209","","","","","","1.015","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342414","11.287","0.01","14.38","0.013","18.206","0.016","90","","90","","90","","2955","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","","Feng, Xun; Xu, Chen; Wang, Zhi-Qiang; Tang, Si-Fu; Fu, Wei-Jun; Ji, Bao-Ming; Wang, Li-Ya","Aerobic Oxidation of Alcohols and the Synthesis of Benzoxazoles Catalyzed by a Cuprocupric Coordination Polymer (Cu(+)-CP) Assisted by TEMPO.","Inorganic chemistry","2015","54","5","2088","","10.1021/ic502884z","","","0.71073","MoKα","","0.0502","0.0347","","","0.0935","0.1015","","","","","","1.035","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342426","11.2882","0.0007","16.0651","0.0011","28.3117","0.0018","90","","90","","90","","5134.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H42 N2 O3 P2 Ru -","- C23 H42 N2 O3 P2 Ru -","- C184 H336 N16 O24 P16 Ru8 -","8","1","","Fogler, Eran; Efremenko, Irena; Gargir, Moti; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","New Ruthenium Nitrosyl Pincer Complexes Bearing an O2 Ligand. Mono-Oxygen Transfer.","Inorganic chemistry","2015","54","5","2253","","10.1021/ic502832j","","","0.71073","MoKα","","0.0572","0.0365","","","0.0778","0.0884","","","","","","1.102","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342460","19.196","0.001","16.52","0.001","40.749","0.003","90","","90","","90","","12922.2","1.4","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C94 Cl20 -","- C94 Cl20 -","- C752 Cl160 -","8","1","","Tamm, Nadezhda B.; Yang, Shangfeng; Wei, Tao; Troyanov, Sergey I.","Five Isolated Pentagon Rule Isomers of Higher Fullerene C94 Captured as Chlorides and CF3 Derivatives: C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18.","Inorganic chemistry","2015","54","6","2494","2496","10.1021/ic503118t","","","0.905","synchrotron","","0.0779","0.0574","","","0.137","0.1455","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4342540","13.3934","0.0011","17.5025","0.0014","21.7018","0.0018","90","","90","","90","","5087.3","0.7","436","2","436","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl F2 N Ni P2 -","- C24 H34 Cl F2 N Ni P2 -","- C192 H272 Cl8 F16 N8 Ni8 P16 -","8","1","","Davidson, Jillian J.; DeMott, Jessica C.; Douvris, Christos; Fafard, Claudia M.; Bhuvanesh, Nattamai; Chen, Chun-Hsing; Herbert, David E.; Lee, Chun-I; McCulloch, Billy J.; Foxman, Bruce M.; Ozerov, Oleg V.","Comparison of the Electronic Properties of Diarylamido-Based PNZ Pincer Ligands: Redox Activity at the Ligand and Donor Ability Toward the Metal.","Inorganic chemistry","2015","54","6","2916","2935","10.1021/ic503062w","","","0.71073","MoKα","","0.0741","0.036","","","0.0534","0.0611","","","","","","0.85","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342547","13.918","0.002","18.38","0.003","18.813","0.003","90","","90","","90","","4812.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H23 B N2 O -","- C31 H23 B N2 O -","- C248 H184 B8 N16 O8 -","8","1","","Zhang, Zhenyu; Zhang, Houyu; Jiao, Chuanjun; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue","2-(2-Hydroxyphenyl)benzimidazole-Based Four-Coordinate Boron-Containing Materials with Highly Efficient Deep-Blue Photoluminescence and Electroluminescence.","Inorganic chemistry","2015","54","6","2652","2659","10.1021/ic502815q","","","0.71073","MoKα","","0.0899","0.064","","","0.1352","0.1489","","","","","","1.069","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342641","9.5315","0.0003","15.8242","0.0004","24.3712","0.0006","90","","90","","90","","3675.87","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Co N4 O2 S2 -","- C16 H14 Co N4 O2 S2 -","- C128 H112 Co8 N32 O16 S16 -","8","1","","Werner, Julia; Rams, Michał; Tomkowicz, Zbigniew; Runčevski, Tomče; Dinnebier, Robert E.; Suckert, Stefan; Näther, Christian","Thermodynamically metastable thiocyanato coordination polymer that shows slow relaxations of the magnetization.","Inorganic chemistry","2015","54","6","2893","2901","10.1021/ic503029t","","","0.71073","MoKα","","0.0677","0.0539","","","0.0921","0.0962","","","","","","1.262","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342655","10.5571","0.0012","15.6353","0.0017","37.582","0.004","90","","90","","90","","6203.4","1.2","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N8 Ni O0.5 -","- C36 H36 N8 Ni O0.5 -","- C288 H288 N64 Ni8 O4 -","8","1","","Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.","Inorganic chemistry","2015","54","7","3211","3217","10.1021/ic502792q","","x-ray","0.71073","MoKα","K-L~3~","0.0722","0.0399","","","0.0874","0.1059","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342677","17.8729","0.0004","18.8767","0.0004","19.5847","0.0004","90","","90","","90","","6607.5","0.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O P2 -","- C29 H34 F12 Fe N5 O P2 -","- C232 H272 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.0481","0.0361","","","0.0967","0.101","","","","","","1.068","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342678","17.9819","0.001","18.766","0.0007","19.7676","0.001","90","","90","","90","","6670.5","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H36 F12 Fe N5 O P2 -","- C30 H36 F12 Fe N5 O P2 -","- C240 H288 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","1.54184","CuKα","","0.0702","0.0584","","","0.1137","0.1228","","","","","","1.082","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342679","18.4705","0.0009","19.564","0.003","19.9882","0.0011","90","","90","","90","","7222.9","1.2","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.1037","0.0547","","","0.1216","0.1486","","","","","","1.011","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342680","18.2901","0.0003","18.8688","0.0004","19.7237","0.0003","90","","90","","90","","6806.9","0.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.05","0.0352","","","0.08","0.0879","","","","","","1.054","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342681","18.3097","0.0004","19.0793","0.0005","20.1284","0.0005","90","","90","","90","","7031.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H36 F12 Fe N5 O P2 -","- C30 H36 F12 Fe N5 O P2 -","- C240 H288 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","1.5418","CuKα","","0.0884","0.0598","","","0.1385","0.1543","","","","","","1.04","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342682","18.3065","0.0004","19.1694","0.0005","19.7073","0.0005","90","","90","","90","","6915.8","0.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","1.54184","CuKα","","0.0414","0.0337","","","0.0889","0.0915","","","","","","1.062","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342683","17.9081","0.0003","18.9837","0.0004","19.48","0.0004","90","","90","","90","","6622.5","0.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O2 P2 -","- C29 H34 F12 Fe N5 O2 P2 -","- C232 H272 F96 Fe8 N40 O16 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.061","0.0451","","","0.1103","0.1207","","","","","","1.035","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342684","17.991","0.003","19.1695","0.0013","19.9287","0.0011","90","","90","","90","","6873","1.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O P2 -","- C29 H34 F12 Fe N5 O P2 -","- C232 H272 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.161","0.0735","","","0.1773","0.237","","","","","","1.017","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342685","18.5147","0.0008","19.2407","0.0007","20.005","0.0009","90","","90","","90","","7126.5","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F12 Fe N5 O P2 -","- C31 H38 F12 Fe N5 O P2 -","- C248 H304 F96 Fe8 N40 O8 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.1266","0.0611","","","0.1256","0.1608","","","","","","1.016","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342686","18.0743","0.0008","19.245","0.001","19.7958","0.0008","90","","90","","90","","6885.8","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F12 Fe N5 O2 P2 -","- C29 H34 F12 Fe N5 O2 P2 -","- C232 H272 F96 Fe8 N40 O16 P16 -","8","1","","Ortega-Villar, Norma; Guerrero-Estrada, Areli Yesareth; Piñeiro-López, Lucía; Muñoz, M Carmen; Flores-Álamo, Marcos; Moreno-Esparza, Rafael; Real, José A; Ugalde-Saldívar, Víctor M","Spin Crossover Behavior in a Series of Iron(III) Alkoxide Complexes.","Inorganic chemistry","2015","54","7","3413","3421","10.1021/ic503081x","","","0.71073","MoKα","","0.1153","0.0673","","","0.1678","0.2008","","","","","","1.034","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342727","9.471","0.0002","24.1214","0.0004","28.5697","0.0005","90","","90","","90","","6526.9","0.2","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B18 Co N2 O2 -","- C18 H41 B18 Co N2 O2 -","- C144 H328 B144 Co8 N16 O16 -","8","1","","Grüner, Bohumír; Šícha, Václav; Hnyk, Drahomír; Londesborough, Michael G. S.; Císařová, Ivana","The Synthesis and Structural Characterization of Polycyclic Derivatives of Cobalt Bis(dicarbollide)(1(-)).","Inorganic chemistry","2015","54","7","3148","3158","10.1021/ic502450t","","","0.71073","MoKα","","0.059","0.0463","","","0.1146","0.1198","","","","","","1.037","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342772","20.866","0.004","20.269","0.004","31.102","0.006","90","","90","","90","","13154","4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H60 F20 N3 O Pt2 Tl -","- C70 H60 F20 N3 O Pt2 Tl -","- C560 H480 F160 N24 O8 Pt16 Tl8 -","8","1","","Forniés, Juan; Giménez, Nora; Ibáñez, Susana; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa","An Extended Chain and Trinuclear Complexes Based on Pt(II)-M (M = Tl(I), Pb(II)) Bonds: Contrasting Photophysical Behavior.","Inorganic chemistry","2015","54","9","4351","4363","10.1021/acs.inorgchem.5b00083","","","0.71073","MoKα","","0.0567","0.0306","","","0.0588","0.0655","","","","","","1.02","","","","has coordinates","138186","2020-10-21","18:00:00",""
"4342777","10.007","0.0007","28.2641","0.0019","39.221","0.003","90","","90","","90","","11093.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C65 H78 Cl Co N3 -","- C65 H78 Cl Co N3 -","- C520 H624 Cl8 Co8 N24 -","8","1","","Hansen, Christopher B.; Jordan, Richard F.; Hillhouse, Gregory L.","Protonolysis and amide exchange reactions of a three-coordinate cobalt amide complex supported by an N-heterocyclic carbene ligand.","Inorganic chemistry","2015","54","10","4603","4610","10.1021/ic502670x","","","0.71073","MoKα","","0.0735","0.0499","","","0.0988","0.1069","","","","","","1.172","","","","has coordinates","138105","2020-10-21","18:00:00",""
"4342804","12.23325","0.00019","17.4883","0.0003","20.3322","0.0005","90","","90","","90","","4349.85","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O9 Zn2 -","- C19 H17 N3 O9 Zn2 -","- C152 H136 N24 O72 Zn16 -","8","1","","Ahrenholtz, Spencer R.; Landaverde-Alvarado, Carlos; Whiting, Macauley; Lin, Shaoyang; Slebodnick, Carla; Marand, Eva; Morris, Amanda J.","Thermodynamic Study of CO2 Sorption by Polymorphic Microporous MOFs with Open Zn(II) Coordination Sites.","Inorganic chemistry","2015","54","9","4328","4336","10.1021/ic503047y","","x-ray","0.71073","MoKα","","0.0677","0.0492","","","0.1036","0.1112","","","","","","1.11","","","","has coordinates,has disorder","138193","2020-10-21","18:00:00",""
"4342810","7.7693","0.0003","14.0374","0.0005","29.9826","0.0012","90","","90","","90","","3269.9","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H24 B10 Os -","- C10 H24 B10 Os -","- C80 H192 B80 Os8 -","8","1","","Simonov, Alexandr N.; Boas, John F.; Skidmore, Melissa A.; Forsyth, Craig M.; Mashkina, Elena; Bown, Mark; Bond, Alan M.","Redox Levels of a closo-Osmaborane: A Density Functional Theory, Electron Paramagnetic Resonance and Electrochemical Study.","Inorganic chemistry","2015","54","9","4292","4302","10.1021/ic503027g","","","0.71073","MoKα","","0.0247","0.0216","","","0.0483","0.0499","","","","","","1.1","","","","has coordinates","138197","2020-10-21","18:00:00",""
"4342814","11.519","0.0013","13.4899","0.0016","16.7373","0.0019","90","","90","","90","","2600.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O10 U2 -","- C24 H22 N4 O10 U2 -","- C96 H88 N16 O40 U8 -","4","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.0475","0.0333","","","0.0756","0.0821","","","","","","1.048","","","","has coordinates,has disorder","138198","2020-10-21","18:00:00",""
"4342817","11.5574","0.0006","13.751","0.0007","16.8543","0.0009","90","","90","","90","","2678.6","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O10 U2 -","- C24 H22 N4 O10 U2 -","- C96 H88 N16 O40 U8 -","4","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.","Inorganic chemistry","2015","54","9","4208","4221","10.1021/ic502767k","","","0.71073","MoKα","","0.0646","0.0382","","","0.0867","0.0993","","","","","","1.016","","","","has coordinates,has disorder","138198","2020-10-21","18:00:00",""
"4342823","13.782","0.004","17.532","0.005","33.9","0.009","90","","90","","90","","8191","4","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H38 F12 N10 O P2 Ru -","- C37 H38 F12 N10 O P2 Ru -","- C296 H304 F96 N80 O8 P16 Ru8 -","8","1","","Weisser, Fritz; Plebst, Sebastian; Hohloch, Stephan; van der Meer, Margarethe; Manck, Sinja; Führer, Felix; Radtke, Vanessa; Leichnitz, Daniel; Sarkar, Biprajit","Tuning ligand effects and probing the inner-workings of bond activation steps: generation of ruthenium complexes with tailor-made properties.","Inorganic chemistry","2015","54","10","4621","4635","10.1021/ic502807d","","","0.71073","MoKα","","0.1178","0.0515","","","0.1201","0.1631","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342831","17.7705","0.0009","22.3871","0.0012","23.521","0.0013","90","","90","","90","","9357.4","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H52 Cu4 N4 O23 -","- C34 H52 Cu4 N4 O23 -","- C272 H416 Cu32 N32 O184 -","8","1","","Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.","New Tetracopper(II) Cubane Cores Driven by a Diamino Alcohol: Self-assembly Synthesis, Structural and Topological Features, and Magnetic and Catalytic Oxidation Properties.","Inorganic chemistry","2015","54","11","5204","5212","10.1021/acs.inorgchem.5b00048","","","0.71073","MoKα","","0.1624","0.0943","","","0.1671","0.189","","","","","","1.105","","","","has coordinates,has disorder","138138","2020-10-21","18:00:00",""
"4342861","8.5704","0.0001","19.5441","0.0001","21.4191","0.0003","90","","90","","90","","3587.72","0.07","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 B2 O11 Tb -","- C14 H10 B2 O11 Tb -","- C112 H80 B16 O88 Tb8 -","8","1","","Fan, Xiao; Freslon, Stéphane; Daiguebonne, Carole; Pollès, Laurent Le; Calvez, Guillaume; Bernot, Kevin; Yi, Xiaohui; Huang, Gang; Guillou, Olivier","A family of lanthanide-based coordination polymers with boronic Acid as ligand.","Inorganic chemistry","2015","54","11","5534","5546","10.1021/acs.inorgchem.5b00635","","x-ray","0.71073","MoKα","","0.0631","0.0385","","","0.0938","0.1062","","","","","","1.077","","","","has coordinates","138170","2020-10-21","18:00:00",""
"4342983","16.404","0.003","12.071","0.002","19.75","0.005","90","","90","","90","","3910.8","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","selenium dicyanide difluoride 12-crown-4-solvate","","- C17 H24 F2 N2 O4 Se -","- C17 H24 F2 N2 O4 Se -","- C136 H192 F16 N16 O32 Se8 -","8","1","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.0577","0.0356","","","0.0831","0.0952","","","","","","1.013","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4343070","26.392","0.0015","19.7049","0.0013","26.4995","0.0019","90","","90","","90","","13781.1","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H66 B2 Co F24 P3 -","- C68 H66 B2 Co F24 P3 -","- C544 H528 B16 Co8 F192 P24 -","8","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.072","0.0459","","","0.1084","0.1241","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343072","19.7869","0.0017","25.67","0.002","26.68","0.003","90","","90","","90","","13552","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","n/a","[CP3CoN2][BArF24]","","- C69 H66 B Co F24 N2 P3 -","- C69 H66 B Co F24 N2 P3 -","- C552 H528 B8 Co8 F192 N16 P24 -","8","1","","Del Castillo, Trevor J.; Thompson, Niklas B.; Suess, Daniel L. M.; Ung, Gaël; Peters, Jonas C.","Evaluating Molecular Cobalt Complexes for the Conversion of N2 to NH3.","Inorganic chemistry","2015","54","19","9256","9262","10.1021/acs.inorgchem.5b00645","","","0.71073","MoKα","","0.1609","0.0747","","","0.1811","0.2254","","","","","","1.027","","","","has coordinates,has disorder","170799","2020-10-21","18:00:00",""
"4343102","10.199","0.003","20.351","0.006","26.781","0.008","90","","90","","90","","5559","3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Co N8 -","- C33 H33 Co N8 -","- C264 H264 Co8 N64 -","8","1","","Puttock, Emma V.; Banerjee, Priyabrata; Kaspar, Manuel; Drennen, Liam; Yufit, Dmitry S.; Bill, Eckhard; Sproules, Stephen; Hess, Corinna R.","A Series of [Co(Mabiq)Cl2-n] (n = 0, 1, 2) Compounds and Evidence for the Elusive Bimetallic Form.","Inorganic chemistry","2015","54","12","5864","5873","10.1021/acs.inorgchem.5b00636","","x-ray","0.6889","synchrotron","","0.0743","0.0484","","","0.1132","0.1267","","","","","","1.054","","","","has coordinates","140089","2020-10-21","18:00:00",""
"4343119","17.6229","0.0009","18.9489","0.0009","19.4315","0.001","90","","90","","90","","6488.8","0.6","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Cr2 Dy2 F36 N2 O18 -","- C42 H34 Cr2 Dy2 F36 N2 O18 -","- C168 H136 Cr8 Dy8 F144 N8 O72 -","4","0.5","","Langley, Stuart K.; Le, Crystal; Ungur, Liviu; Moubaraki, Boujemaa; Abrahams, Brendan F.; Chibotaru, Liviu F.; Murray, Keith S.","Heterometallic 3d-4f single-molecule magnets: ligand and metal ion influences on the magnetic relaxation.","Inorganic chemistry","2015","54","7","3631","3642","10.1021/acs.inorgchem.5b00219","","","0.71073","MoKα","","0.0671","0.0387","","","0.0784","0.0916","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343140","14.5851","0.0005","25.764","0.0009","26.9502","0.0009","90","","90","","90","","10127.1","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H55 Cl2 F6 N7 O2 Pt -","- C52 H55 Cl2 F6 N7 O2 Pt -","- C416 H440 Cl16 F48 N56 O16 Pt8 -","8","1","","Liao, Kuan-Yu; Hsu, Che-Wei; Chi, Yun; Hsu, Ming-Kuan; Wu, Szu-Wei; Chang, Chih-Hao; Liu, Shih-Hung; Lee, Gene-Hsiang; Chou, Pi-Tai; Hu, Yue; Robertson, Neil","Pt(II) Metal Complexes Tailored with a Newly Designed Spiro-Arranged Tetradentate Ligand; Harnessing of Charge-Transfer Phosphorescence and Fabrication of Sky Blue and White OLEDs.","Inorganic chemistry","2015","54","8","4029","4038","10.1021/acs.inorgchem.5b00281","","","0.71073","MoKα","","0.0807","0.0504","","","0.1135","0.1295","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343246","23.7483","0.0006","21.7534","0.0006","17.4494","0.0004","90","","90","","90","","9014.5","0.4","130","2","130","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C39 H51 B Cl4 Co Mo N6 O4 S -","- C38 H49 B Cl2 Co Mo N6 O4 S -","- C304 H392 B8 Cl16 Co8 Mo8 N48 O32 S8 -","8","1","","Doonan, Christian J.; Gourlay, Craig; Nielsen, David J.; Ng, Victor W. L.; Smith, Paul D.; Evans, David J.; George, Graham N.; White, Jonathan M.; Young, Charles G.","d(1) Oxosulfido-Mo(V) Compounds: First Isolation and Unambiguous Characterization of an Extended Series.","Inorganic chemistry","2015","54","13","6386","6396","10.1021/acs.inorgchem.5b00708","","","1.5418","CuKα","","0.1371","0.0603","","","0.1092","0.1273","","","","","","0.808","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343268","15.1475","0.0003","15.3384","0.0004","16.9653","0.0004","90","","90","","90","","3941.69","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H33 Mo N O P2 -","- C17 H33 Mo N O P2 -","- C136 H264 Mo8 N8 O8 P16 -","8","1","","Zhang, Shaoguang; Bullock, R. Morris","Molybdenum Hydride and Dihydride Complexes Bearing Diphosphine Ligands with a Pendant Amine: Formation of Complexes with Bound Amines.","Inorganic chemistry","2015","54","13","6397","6409","10.1021/acs.inorgchem.5b00728","","","0.71073","MoKα","","0.0317","0.0223","","","0.0531","0.0554","","","","","","1.056","","","","has coordinates","152789","2020-10-21","18:00:00",""
"4343319","15.2958","0.0005","16.4819","0.0006","19.9118","0.0008","90","","90","","90","","5019.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(TBDAP)(NO3)](NO3)","","","- C22 H34 N6 Ni O7 -","- C22 H34 N6 Ni O7 -","- C176 H272 N48 Ni8 O56 -","8","1","","Kim, Jalee; Shin, Bongki; Kim, Hyunjeong; Lee, Junhyung; Kang, Joongoo; Yanagisawa, Sachiko; Ogura, Takashi; Masuda, Hideki; Ozawa, Tomohiro; Cho, Jaeheung","Steric Effect on the Nucleophilic Reactivity of Nickel(III) Peroxo Complexes.","Inorganic chemistry","2015","54","13","6176","6183","10.1021/acs.inorgchem.5b00294","","","0.71073","MoKa","","0.0477","0.0324","","","0.1037","0.1239","","","","","","1.001","","","","has coordinates","141344","2020-10-21","18:00:00",""
"4343401","9.3242","0.0014","16.887","0.003","20.587","0.003","90","","90","","90","","3241.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 Cu I3 N4 -","- C10 H14 Cu I3 N4 -","- C80 H112 Cu8 I24 N32 -","8","1","","He, Jun; Cao, Peng; Wu, Chao; Huang, Jiahong; Huang, Jian; He, Yonghe; Yu, Lin; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Highly Polarizable Triiodide Anions (I3(-)) as Cross-Linkers for Coordination Polymers: Closing the Semiconductive Band Gap.","Inorganic chemistry","2015","54","13","6087","6089","10.1021/acs.inorgchem.5b00958","","","0.71073","MoKα","","0.0555","0.0514","","","0.1075","0.1094","","","","","","1.169","","","","has coordinates","141351","2020-10-21","18:00:00",""
"4343411","16.1517","0.0005","15.3424","0.0004","16.5323","0.0005","90","","90","","90","","4096.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cu O12 U -","- C16 H8 Cu O12 U -","- C128 H64 Cu8 O96 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.","Inorganic chemistry","2015","54","13","6296","6305","10.1021/acs.inorgchem.5b00596","","","0.71073","MoKα","","0.0787","0.0641","","","0.1675","0.1764","","","","","","1.057","","","","has coordinates","154600","2020-10-21","18:00:00",""
"4343469","18.1286","0.0018","21.628","0.002","22.77","0.002","90","","90","","90","","8927.8","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H38 Au F14 P5 Pd -","- C42 H38 Au F14 P5 Pd -","- C336 H304 Au8 F112 P40 Pd8 -","8","1","","Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.","Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.","Inorganic chemistry","2015","54","14","6947","6957","10.1021/acs.inorgchem.5b00939","","","0.71073","MoKα","","0.0777","0.0375","","","0.059","0.0688","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343512","13.308","0.002","21.07","0.003","22.908","0.003","90","","90","","90","","6423.4","1.6","100","2","100","2","","","","","","","hexane","5","P b c a","-P 2ac 2ab","61","","","","- C38 H44 Fe N2 P2 -","- C38 H44 Fe N2 P2 -","- C304 H352 Fe8 N16 P16 -","8","1","","Weber, Katharina; Weyhermüller, Thomas; Bill, Eckhard; Erdem, Özlen F; Lubitz, Wolfgang","Design and Characterization of Phosphine Iron Hydrides: Toward Hydrogen-Producing Catalysts.","Inorganic chemistry","2015","54","14","6928","6937","10.1021/acs.inorgchem.5b00911","","","0.71073","MoKα","","0.0511","0.0379","","","0.0894","0.0979","","","","","","1.074","","","","has coordinates","154615","2020-10-21","18:00:00",""
"4343582","14.3762","0.0006","19.9894","0.0009","27.3975","0.0017","90","","90","","90","","7873.3","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H57 N3 O6 Ti -","- C41 H57 N3 O6 Ti -","- C328 H456 N24 O48 Ti8 -","8","1","","Grützke, Martin; Zhao, Tiankun; Immel, Timo A.; Huhn, Thomas","Heptacoordinate Heteroleptic Salan (ONNO) and Thiosalan (OSSO) Titanium(IV) Complexes: Investigation of Stability and Cytotoxicity.","Inorganic chemistry","2015","54","14","6697","6706","10.1021/acs.inorgchem.5b00690","","","0.71073","MoKα","","0.1121","0.0615","","","0.1224","0.1388","","","","","","0.979","","","","has coordinates","154619","2020-10-21","18:00:00",""
"4343598","9.88","","10","","10.13","","90","","90","","90","","1000.84","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Xe F (S O3 F)","","- F2 O3 S Xe -","- F2 O3 S Xe -","- F16 O24 S8 Xe8 -","8","1","","Bartlett, N.; Wechsberg, M.; Jones, G.R.; Burbank, R.D.","The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F","Inorganic Chemistry","1972","11","","1124","1127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343650","10.746","","14.112","","11.845","","90","","90","","90","","1796.27","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Te4 (Al Cl4)2","","- Al2 Cl8 Te4 -","- Al2 Cl8 Te4 -","- Al8 Cl32 Te16 -","4","0.5","","Couch, T.W.; Lokken, D.A.; Corbett, J.D.","The crystal structures of tetratellurium(2+) tetrachloroaluminate and heptachlorodialuminate, Te4(2+) (Al Cl4)2(-) and Te4(2+) (Al2 Cl7)2(-)","Inorganic Chemistry","1972","11","","357","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","144932","2020-10-21","18:00:00",""
"4343673","9.76","","10.087","","13.495","","90","","90","","90","","1328.57","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pt (N H3)2 (N O3)2","","- H6 N4 O6 Pt -","- H6 N4 O6 Pt -","- H48 N32 O48 Pt8 -","8","1","","Lippert, B.; Lock, C.J.L.; Rosenberg, B.; Zvagulis, M.","Cis-dinitratodiammineplatinum(II), cis-Pt (N H3)2 (N O3)2. Crystalline structure and vibrational spectra","Inorganic Chemistry","1977","16","","1525","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4343690","11.5","","11.53","","11.51","","90","","90","","90","","1526.17","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Co (N H3)6 Sb Cl6","","- Cl6 Co H18 N6 Sb -","- Cl6 Co H18 N6 Sb -","- Cl24 Co4 H72 N24 Sb4 -","4","0.5","","Schroeder, D. R.; Jacobson, R. A.","Crystal structure of hexaamminecobalt hexachloroantimonate (III)","Inorganic Chemistry","1973","12","","210","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4343700","16.7646","0.0004","13.2122","0.0003","33.6825","0.0007","90","","90","","90","","7460.6","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H35 Co2 N5 O S4 -","- C43 H35 Co2 N5 O S4 -","- C344 H280 Co16 N40 O8 S32 -","8","1","","Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt","Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.","Inorganic chemistry","2015","54","15","7653","7659","10.1021/acs.inorgchem.5b01334","","","0.71073","MoKα","","0.1191","0.0547","","","0.107","0.128","","","","","","1.008","","","","has coordinates","152806","2020-10-21","18:00:00",""
"4343705","12.013","","14.5747","","27.134","","90","","90","","90","","4750.78","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs2 Th2 (P2 Se9) (Se2)2","","- Cs2 P2 Se13 Th2 -","- Cs2 P2 Se13 Th2 -","- Cs16 P16 Se104 Th16 -","8","1","","Briggs Piccoli, P.M.; Abney, K.D.; Dorhout, P.K.; Schoonover, J.D.","Synthesis, structure, and properties of Cs4 Th4 P4 Se26: a quaternary thorium selenophosphate containing the (P2 Se9)(6-) anion","Inorganic Chemistry","2001","40","","4871","4875","","","","","","","","","","","","","","","","","","","","","","has coordinates","146751","2020-10-21","18:00:00",""
"4343739","13.859","","13.012","","16.937","","90","","90","","90","","3054.3","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N H4)4 (Mo2 (N C S)8) (H2 O)4","","- C8 H24 Mo2 N12 O4 S8 -","- C8 H24 Mo2 N12 O4 S8 -","- C32 H96 Mo8 N48 O16 S32 -","4","0.5","","Bino, Avi; Cotton, F. Albert; Fanwick, Phillip E.","Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and Structural Characterization of Two Crystalline Hydrates","Inorganic Chemistry","1979","18","12","3558","3562","10.1021/ic50202a052","","","","","","","","","","","","","","","","","","","","","has coordinates","189054","2020-10-21","18:00:00",""
"4343892","16.5395","0.0007","19.8373","0.0008","32.8349","0.0013","90","","90","","90","","10773.1","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H62 Cl6 N P2 Rh -","- C55 H62 Cl6 N P2 Rh -","- C440 H496 Cl48 N8 P16 Rh8 -","8","1","","Halbach, Robert L.; Teets, Thomas S.; Nocera, Daniel G.","Oxygen Reduction Mechanism of Monometallic Rhodium Hydride Complexes.","Inorganic chemistry","2015","54","15","7335","7344","10.1021/acs.inorgchem.5b00856","","","0.71073","MoKα","","0.0488","0.0391","","","0.1055","0.113","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343920","24.652","","24.6296","","24.651","","90","","90","","90","","14967.3","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hf (P2 O7)","","- Hf O7 P2 -","- Hf O7 P2 -","- Hf108 O756 P216 -","108","13.5","","Stinton, G.W.; Hampson, M.R.; Evans, J.S.O.","The 136-atom structure of Zr P2 O7 and Hf P2 O7 from powder diffraction data","Inorganic Chemistry","2006","45","","4352","4358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343951","13.741","0.003","9.346","0.0019","20.294","0.004","90","","90","","90","","2606.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 Fe N10 -","- C12 H6 Fe N10 -","- C96 H48 Fe8 N80 -","8","1","","Seredyuk, Maksym; Piñeiro-López, Lucía; Muñoz, M Carmen; Martínez-Casado, Francisco J; Molnár, Gábor; Rodriguez-Velamazán, José Alberto; Bousseksou, Azzedine; Real, José Antonio","Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.","Inorganic chemistry","2015","54","15","7424","7432","10.1021/acs.inorgchem.5b01001","","","0.7999","synchrotron","","0.0376","0.0348","","","0.1125","0.1159","","","","","","0.864","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343952","13.861","0.003","8.245","0.0016","20.792","0.004","90","","90","","90","","2376.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 Fe N10 -","- C12 H6 Fe N10 -","- C96 H48 Fe8 N80 -","8","1","","Seredyuk, Maksym; Piñeiro-López, Lucía; Muñoz, M Carmen; Martínez-Casado, Francisco J; Molnár, Gábor; Rodriguez-Velamazán, José Alberto; Bousseksou, Azzedine; Real, José Antonio","Homoleptic Iron(II) Complexes with the Ionogenic Ligand 6,6'-Bis(1H-tetrazol-5-yl)-2,2'-bipyridine: Spin Crossover Behavior in a Singular 2D Spin Crossover Coordination Polymer.","Inorganic chemistry","2015","54","15","7424","7432","10.1021/acs.inorgchem.5b01001","","","0.7999","synchrotron","","0.0449","0.04","","","0.0983","0.1131","","","","","","1.168","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343957","17.9446","0.0015","18.7673","0.0015","24.048","0.002","90","","90","","90","","8098.7","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H34 F6 N4 P2 Ru -","- C41 H34 F6 N4 P2 Ru -","- C328 H272 F48 N32 P16 Ru8 -","8","1","","Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel","Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.","Inorganic chemistry","2015","54","15","7617","7626","10.1021/acs.inorgchem.5b01236","","","0.71073","MoKα","","0.1462","0.0758","","","0.1874","0.2101","","","","","","0.907","","","","has coordinates,has disorder","152812","2020-10-21","18:00:00",""
"4343975","14.0359","0.0008","15.5824","0.0009","20.8077","0.0012","90","","90","","90","","4550.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl3 In N4 -","- C20 H22 Cl3 In N4 -","- C160 H176 Cl24 In8 N32 -","8","1","","Koellner, Connor A.; Piro, Nicholas A.; Kassel, W. Scott; Goldsmith, Christian R.; Graves, Christopher R.","Synthesis and Characterization of α-Diimine Complexes of Group 13 Metals and Their Catalytic Activity toward the Epoxidation of Alkenes.","Inorganic chemistry","2015","54","15","7139","7141","10.1021/acs.inorgchem.5b01136","","","0.71073","MoKα","","0.0296","0.0203","","","0.043","0.0463","","","","","","1.04","","","","has coordinates","152802","2020-10-21","18:00:00",""
"4343989","14.1597","0.001","12.692","0.0009","16.8149","0.0012","90","","90","","90","","3021.9","0.4","170","","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H32 N6 -","- C38 H32 N6 -","- C152 H128 N24 -","4","0.5","","Kumar, Sushil; Mandon, Dominique","Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.","Inorganic chemistry","2015","54","15","7481","7491","10.1021/acs.inorgchem.5b01096","","","0.71073","MoKα","","0.1219","0.0598","","","0.1127","0.1376","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4344030","27.378","0.006","29.921","0.006","32.547","0.007","90","","90","","90","","26662","10","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C140 H140 Dy5 N6 O27 -","- C140 H130 Dy5 N6 O27 -","- C1120 H1040 Dy40 N48 O216 -","8","1","","Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K.; Roesky, Peter W.","Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.","Inorganic chemistry","2015","54","16","7846","7856","10.1021/acs.inorgchem.5b00899","","","0.71073","MoKα","","0.108","0.0469","","","0.0746","0.087","","","","","","0.868","","","","has coordinates,has disorder","160495","2020-10-21","18:00:00",""
"4344131","7.979","","7.925","","9.1956","","90","","90","","90","","581.471","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N D3) (B F3)","","- B D3 F3 N -","- B D3 F3 N -","- B8 D24 F24 N8 -","8","1","","Penner, G.H.; Ruscitti, B.; Reynolds, J.; Swainson, I.","Structure and dynamics of N D3 B F3 in the solid and gas phases: a combined NMR, neutron diffraction and ab initio study","Inorganic Chemistry","2002","41","","7064","7071","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344145","10.814","","16.706","","26.273","","90","","90","","90","","4746.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pb6 O (O H)6 (Cl O4)4 (H2 O)","","- Cl4 H8 O24 Pb6 -","- Cl4 O24 Pb6 -","- Cl32 O192 Pb48 -","8","1","","Spiro, G.T.; Zalkin, A.; Templeton, D.H.","The Crystal Structure of a Hexanuclear Basic Lead(II) Perchlorate Hydrate: Pb6 O (O H)6 (Cl O4)4 (H2 O)","Inorganic Chemistry","1969","8","","856","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344220","12.625","","12.953","","10.141","","90","","90","","90","","1658.37","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs2 Re2 Br8","","- Br8 Cs2 Re2 -","- Br8 Cs2 Re2 -","- Br32 Cs8 Re8 -","4","0.5","","Cotton, F.A.; de Boer, B.G.; Jeremic, M.","Some Reactions of the Octahalodirhenate(III) Ions. VIII. Definitive Structural Characterization of the Octabromodirhenate(III) Ion","Inorganic Chemistry","1970","9","","2143","2146","","","","","","","","","","","","","","","","","","","","","","has coordinates","161056","2020-10-21","18:00:00",""
"4344251","14.445","","14.034","","12.725","","90","","90","","90","","2579.63","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","I Br2 Sb2 F11","","- Br2 F11 I Sb2 -","- Br2 F11 I Sb2 -","- Br16 F88 I8 Sb16 -","8","1","","Birchall, T.; Myers, R.D.","Preparation of (I Br2) (Sb2 F11) and (I Br.75 Cl1.25) (Sb Cl6). Their Characterization by X-ray Crystallography and Raman Spectroscopy","Inorganic Chemistry","1983","22","","1751","1756","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344264","11.65","","14.06","","6.03","","90","","90","","90","","987.708","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Tc Cl4","","- Cl4 Tc -","- Cl4 Tc -","- Cl32 Tc8 -","8","1","","Elder, M.; Penfold, B.R.","The Crystal Structure of Technetium(IV) Chloride. A New AB4 Structure","Inorganic Chemistry","1966","5","","1197","1200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344267","13.621","","12.839","","13.954","","90","","90","","90","","2440.28","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cr (N H3)4 O H)2 (S2 O6)2 (H2 O)4","","- Cr2 H34 N8 O18 S4 -","- Cr2 H34 N8 O18 S4 -","- Cr8 H136 N32 O72 S16 -","4","0.5","","Cline, S.J.; Larsen, S.; Hodgson, D.J.; Pedersen, E.; Kallesoe, S.","Low-Temperature Structural and Magnetic Characterization of the Chromium(III) Dimers Bis(mue-hydroxo)bis(tetraamminechromium(III))Dithionate Tetrahydrate and Bis(mue-hydroxo)bis(tetraamminechromium(III))Chloride Tetrahydrate,(Cr(N H3)...","Inorganic Chemistry","1983","22","","637","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344361","17.25","","17.14","","25.89","","90","","90","","90","","7654.77","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((Fe (C O)3)3 (C O)) (Fe (C O)4)4 Ge2","","- C26 Fe7 Ge2 O26 -","- C26 Fe7 Ge2 O26 -","- C208 Fe56 Ge16 O208 -","8","1","","Anema, S.G.; Nicholson, B.K.; MacKay, K.M.","Characterization of open clusters with linked Ge Fe2 or Sn Fe2 triangles: Structures of Ge2 Fe6 (C O)23, Sn2 Fe6 (C O)23, and Ge2 Fe7 (C O)26","Inorganic Chemistry","1989","28","","3158","3164","","","","","","","","","","","","","","","","","","","","","","has coordinates","168534","2020-10-21","18:00:00",""
"4344370","17.359","","12.187","","13.936","","90","","90","","90","","2948.22","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","((N H3)5 Co C N Co (C N)5) H2 O","","- C6 H17 Co2 N11 O -","- C6 H17 Co2 N11 O -","- C48 H136 Co16 N88 O8 -","8","1","","Wang, B.C.; Schaefer, W.P.; Marsh, R.E.","The Crystal Structure of Pentacyanocobalt(III)-mue-cyano-pentaamminecobalt(III) Monohydrate","Inorganic Chemistry","1971","10","","1492","1497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344373","18.44","","10.103","","5.875","","90","","90","","90","","1094.51","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na4 Xe O6 (H2 O)6","","- H12 Na4 O12 Xe -","- Na4 O12 Xe -","- Na16 O48 Xe4 -","4","0.5","","Zalkin, A.; Forrester, J.D.; Templeton, D.H.","The Crystal Structure of Sodium Perxenate Hexahydrate","Inorganic Chemistry","1964","3","","1417","1421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344380","24.364","0.005","24.299","0.005","28.863","0.006","90","","90","","90","","17087","6","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- H101 Li5 Na5 Ni3 O111 P2 W16 -","- H9 Ni3 O65 P2 W16 -","- H72 Ni24 O520 P16 W128 -","8","1","","Guo, Weiwei; Lv, Hongjin; Bacsa, John; Gao, Yuanzhe; Lee, Je Seong; Hill, Craig L.","Syntheses, Structural Characterization, and Catalytic Properties of Di- and Trinickel Polyoxometalates.","Inorganic chemistry","2016","55","2","461","466","10.1021/acs.inorgchem.5b01935","","","0.71073","MoKα","","0.0705","0.0547","","","0.1678","0.1793","","","","","","1.14","","","","has coordinates,has disorder","175780","2020-10-21","18:00:00",""
"4344425","11.703","0.0003","7.1297","0.00014","32.3455","0.0007","90","","90","","90","","2698.87","0.1","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(cyano-κC)[2-(isoquinolin-1-yl-κN)phenyl-κC^1^]gold(iii)","","- C17 H10 Au N3 -","- C17 H10 Au N3 -","- C136 H80 Au8 N24 -","8","1","","Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik","Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.","Inorganic chemistry","2015","54","22","10748","10760","10.1021/acs.inorgchem.5b01762","","","1.5418","CuKα","","0.036","0.031","","","0.0849","0.089","","","","","","1.137","","","","has coordinates","170791","2020-10-21","18:00:00",""
"4344445","20.6001","0.0015","20.8819","0.0015","35.748","0.003","90","","90","","90","","15378","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Dy F18 N4 O6 -","- C29 H15 Dy F18 N4 O6 -","- C464 H240 Dy16 F288 N64 O96 -","16","2","","Ahmed, Zubair; Iftikhar, Khalid","Efficient Layers of Emitting Ternary Lanthanide Complexes for Fabricating Red, Green, and Yellow OLEDs.","Inorganic chemistry","2015","54","23","11209","11225","10.1021/acs.inorgchem.5b01630","","","0.71073","MoKα","","0.0793","0.0448","","","0.1272","0.1477","","","","","","1.069","","","","has coordinates","173571","2020-10-21","18:00:00",""
"4344569","18.3433","0.0007","18.0221","0.0007","18.908","0.0007","90","","90","","90","","6250.7","0.4","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H36 Co N8 O6 -","- C27 H36 Co N8 O6 -","- C216 H288 Co8 N64 O48 -","8","1","","Tsitovich, Pavel B.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Six-coordinate Iron(II) and Cobalt(II) paraSHIFT Agents for Measuring Temperature by Magnetic Resonance Spectroscopy.","Inorganic chemistry","2016","55","2","700","716","10.1021/acs.inorgchem.5b02144","","x-ray","0.71073","MoKα","","0.0642","0.0463","","","0.1178","0.1251","","","","","","1.088","","","","has coordinates","175502","2020-10-21","18:00:00",""
"4344575","14.472","0.003","8.4169","0.0019","18.101","0.004","90","","90","","90","","2204.9","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B8 K Li O13 -","- B8 K Li O13 -","- B64 K8 Li8 O104 -","8","1","","An, Donghai; Kong, Qingrong; Zhang, Min; Yang, Yun; Li, Danni; Yang, Zhihua; Pan, Shilie; Chen, Huimin; Su, Zhi; Sun, Yi; Mutailipu, Miriding","Versatile Coordination Mode of LiNaB8O13 and α- and β-LiKB8O13 via the Flexible Assembly of Four-Connected B5O10 and B3O7 Groups.","Inorganic chemistry","2016","55","2","552","554","10.1021/acs.inorgchem.5b02500","","","0.71073","MoKα","","0.0413","0.0314","","","0.0801","0.0856","","","","","","1.024","","","","has coordinates","175507","2020-10-21","18:00:00",""
"4344606","10.074","0.002","19.262","0.005","32.57","0.008","90","","90","","90","","6320","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Br6 H8 N2 O32 Pb8 -","- Br6 H2 N2 O32 Pb8 -","- Br48 H16 N16 O256 Pb64 -","8","1","","Kong, Fang; Hu, Chun-Li; Liang, Ming-Li; Mao, Jiang-Gao","Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle.","Inorganic chemistry","2016","55","2","948","955","10.1021/acs.inorgchem.5b02523","","","0.71073","MoKα","","0.0581","0.0471","","","0.1175","0.1252","","","","","","1.085","","","","has coordinates","175526","2020-10-21","18:00:00",""
"4344639","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Mei; Wang, Ning; Cheng, Minglun; Sun, Licheng","Effect of Bridgehead Steric Bulk on the Intramolecular C-H Heterolysis of [FeFe]-Hydrogenase Active Site Models Containing a P2N2 Pendant Amine Ligand.","Inorganic chemistry","2016","55","2","411","418","10.1021/acs.inorgchem.5b00923","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","175539","2020-10-21","18:00:00",""
"4344648","15.457","0.005","11.681","0.004","17.374","0.006","90","","90","","90","","3136.9","1.8","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Mn N8 O -","- C13 H13 Mn N8 O -","- C104 H104 Mn8 N64 O8 -","8","1","","Ogawa, Hiraku; Mori, Koya; Murashima, Kensuke; Karasawa, Satoru; Koga, Noboru","One-, Two-, and Three-Dimensional Heterospin Complexes Consisting of 4-(N-tert-Butyloxylamino)pyridine (4NOpy), Dicyanamide Ion (DCA), and 3d Metal Ions: Crystal Structures and Magnetic Properties of [M(II)(4NOpy)x(DCA)y(CH3CN)z]n (M = Mn, Co, Ni, Cu, Zn).","Inorganic chemistry","2016","55","2","717","728","10.1021/acs.inorgchem.5b02159","","","0.71069","MoKα","","","0.0334","","","","0.0784","","","","","","1.034","","","","has coordinates","175548","2020-10-21","18:00:00",""
"4344663","21.3355","0.0002","24.9757","0.0003","31.4697","0.0004","90","","90","","90","","16769.2","0.3","123.15","","123.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H52 F N2 Na O15.5 U -","- C35 H52 F N2 Na O15.5 U -","- C560 H832 F16 N32 Na16 O248 U16 -","16","2","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0841","0.0466","","","0.0834","0.0959","","","","","","1.035","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4344703","12.149","0.002","13.696","0.003","16.327","0.003","90","","90","","90","","2716.7","0.9","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Fe I N O5 -","- C11 H10 Fe I N O5 -","- C88 H80 Fe8 I8 N8 O40 -","8","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0386","0.0323","","","0.0647","0.0795","","","","","","1.169","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344824","16.0416","0.0006","13.7439","0.0006","16.7924","0.0008","90","","90","","90","","3702.3","0.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Dy2 N10 O16 -","- C30 H36 Dy2 N10 O16 -","- C120 H144 Dy8 N40 O64 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E.; Powell, Annie K.","Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.","Inorganic chemistry","2015","55","1","68","","10.1021/acs.inorgchem.5b01793","","","0.71073","MoKα","","0.026","0.0213","","","0.0502","0.0513","","","","","","1.013","","","","has coordinates","175659","2020-10-21","18:00:00",""
"4344871","11.206","0.0005","11.6166","0.0005","37.2209","0.0009","90","","90","","90","","4845.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H39 Ag N3 O6 P -","- C20 H39 Ag N3 O6 P -","- C160 H312 Ag8 N24 O48 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M Fátima C; Król, Jarosław; Conceição Oliveira, M; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Bioactive Silver-Organic Networks Assembled from 1,3,5-Triaza-7-phosphaadamantane and Flexible Cyclohexanecarboxylate Blocks.","Inorganic chemistry","2016","55","4","1486","1496","10.1021/acs.inorgchem.5b02235","","","0.71073","MoKα","","0.1232","0.0912","","","0.1801","0.1949","","","","","","1.2","","","","has coordinates","177192","2020-10-21","18:00:00",""
"4344896","8.986","0.0003","17.7983","0.0004","21.3159","0.0007","90","","90","","90","","3409.17","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O8 U -","- C14 H17 N O8 U -","- C112 H136 N8 O64 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Modulation of the Structure and Properties of Uranyl Ion Coordination Polymers Derived from 1,3,5-Benzenetriacetate by Incorporation of Ag(I) or Pb(II).","Inorganic chemistry","2016","55","13","6799","6816","10.1021/acs.inorgchem.6b01168","","","0.71073","MoKα","","0.0217","0.0196","","","0.0487","0.0496","","","","","","1.13","","","","has coordinates","184830","2020-10-21","18:00:00",""
"4344984","12.1658","0.0011","15.5222","0.0015","21.704","0.002","90","","90","","90","","4098.6","0.7","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 Ce N3 O15 -","- C12 H24 Ce N3 O15 -","- C96 H192 Ce8 N24 O120 -","8","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0482","0.0419","","","0.0874","0.0911","","","","","","1.138","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344985","12.1556","0.0013","15.5056","0.0017","21.678","0.002","90","","90","","90","","4085.9","0.7","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 N3 O15 Pr -","- C12 H24 N3 O15 Pr -","- C96 H192 N24 O120 Pr8 -","8","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0428","0.0379","","","0.0891","0.0925","","","","","","1.127","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4344986","12.1528","0.0014","15.5137","0.0017","21.672","0.003","90","","90","","90","","4085.9","0.9","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 N3 Nd O15 -","- C12 H24 N3 Nd O15 -","- C96 H192 N24 Nd8 O120 -","8","1","","Wada, Hisami; Ooka, Sayaka; Yamamura, Tomoo; Kajiwara, Takashi","Light Lanthanide Complexes with Crown Ether and Its Aza Derivative Which Show Slow Magnetic Relaxation Behaviors.","Inorganic chemistry","2017","56","1","147","155","10.1021/acs.inorgchem.6b01764","","","0.71075","MoKα","","0.0364","0.0344","","","0.083","0.0845","","","","","","1.134","","","","has coordinates","191351","2020-10-21","18:00:00",""
"4345009","13.813","0.004","17.028","0.003","24.472","0.003","90","","90","","90","","5756","2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H29 Cu I N2 O P -","- C32 H29 Cu I N2 O P -","- C256 H232 Cu8 I8 N16 O8 P8 -","8","1","","Zeng, Chao; Wang, Nan; Peng, Tai; Wang, Suning","Copper(I) Complexes Bearing 1,2-Phenyl-Bridged P(∧)N, P(∧)N(∧)P, and N(∧)P(∧)N Chelate Ligands: Structures and Phosphorescence.","Inorganic chemistry","2017","56","3","1616","1625","10.1021/acs.inorgchem.6b02721","","","0.71073","MoKα","","0.0621","0.0401","","","0.086","0.0933","","","","","","1.132","","","","has coordinates","193446","2020-10-21","18:00:00",""
"4345031","13.019","0.002","16.084","0.003","25.409","0.004","90","","90","","90","","5320.6","1.5","273","2","273.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N5 O6 P Re S2 -","- C22 H20 F3 N5 O6 P Re S2 -","- C176 H160 F24 N40 O48 P8 Re8 S16 -","8","1","","Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K.","Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells.","Inorganic chemistry","2017","56","3","1534","1545","10.1021/acs.inorgchem.6b02623","","","0.71073","MoKα","","0.0755","0.0432","","","0.0935","0.1055","","","","","","1.011","","","","has coordinates","193443","2020-10-21","18:00:00",""
"4345033","13.0128","0.0018","16.073","0.002","25.214","0.004","90","","90","","90","","5273.6","1.3","296","2","296.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 Mn N5 O6 P S2 -","- C22 H20 F3 Mn N5 O6 P S2 -","- C176 H160 F24 Mn8 N40 O48 P8 S16 -","8","1","","Chakraborty, Indranil; Carrington, Samantha J.; Roseman, Graham; Mascharak, Pradip K.","Synthesis, Structures, and CO Release Capacity of a Family of Water-Soluble PhotoCORMs: Assessment of the Biocompatibility and Their Phototoxicity toward Human Breast Cancer Cells.","Inorganic chemistry","2017","56","3","1534","1545","10.1021/acs.inorgchem.6b02623","","","0.71073","MoKα","","0.0803","0.0451","","","0.0863","0.0993","","","","","","1.021","","","","has coordinates","193443","2020-10-21","18:00:00",""
"4345046","17.2573","0.0007","13.7983","0.0005","23.6297","0.0008","90","","90","","90","","5626.7","0.4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Cu N3 Na O4 -","- C32 H28 Cu N3 Na O4 -","- C256 H224 Cu8 N24 Na8 O32 -","8","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0559","","","","0.0892","","","","","","1.061","","","","has coordinates","193437","2020-10-21","18:00:00",""
"4345128","14.659","0.003","19.465","0.004","41.766","0.008","90","","90","","90","","11917","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H98 Al Ba Hf2 O14 -","- C42 H98 Al Ba Hf2 O14 -","- C336 H784 Al8 Ba8 Hf16 O112 -","8","1","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.1157","0.0683","","","0.1337","0.1588","","","","","","0.955","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345130","14.838","0.003","19.613","0.004","41.736","0.008","90","","90","","90","","12146","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H98 Al Ba O14 Zr2 -","- C42 H98 Al Ba O14 Zr2 -","- C336 H784 Al8 Ba8 O112 Zr16 -","8","1","","Heidemann, Tim; Mathur, Sanjay","Three at a Time: Step by Step to Heterotermetallic Molecules.","Inorganic chemistry","2017","56","1","234","240","10.1021/acs.inorgchem.6b02069","","","0.71073","MoKα","","0.0908","0.0566","","","0.1293","0.1513","","","","","","1.012","","","","has coordinates","191267","2020-10-21","18:00:00",""
"4345163","21.6108","0.0008","13.2513","0.0006","26.3273","0.0012","90","","90","","90","","7539.4","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H41 Cl2 I2 N5 Pd2 -","- C32 H41 Cl2 I2 N5 Pd2 -","- C256 H328 Cl16 I16 N40 Pd16 -","8","1","","Mendoza-Espinosa, Daniel; Alvarez-Hernández, Alejandro; Angeles-Beltrán, Deyanira; Negrón-Silva, Guillermo E; Suárez-Castillo, Oscar R; Vásquez-Pérez, José M","Bridged N-Heterocyclic/Mesoionic (NHC/MIC) Heterodicarbenes as Ligands for Transition Metal Complexes.","Inorganic chemistry","2017","56","4","2092","2099","10.1021/acs.inorgchem.6b02778","","","0.71073","MoKα","","0.0922","0.0653","","","0.1607","0.1904","","","","","","1.144","","","","has coordinates","193424","2020-10-21","18:00:00",""
"4345204","8.7418","0.0013","24.418","0.004","25.523","0.004","90","","90","","90","","5448.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H37 In N2 O4 -","- C27 H37 In N2 O4 -","- C216 H296 In8 N16 O32 -","8","1","","Lee, Seon Hee; Shin, Nara; Kwak, Sang Woo; Hyun, Kyunglim; Woo, Won Hee; Lee, Ji Hye; Hwang, Hyonseok; Kim, Min; Lee, Junseong; Kim, Youngjo; Lee, Kang Mun; Park, Myung Hwan","Intriguing Indium-salen Complexes as Multicolor Luminophores.","Inorganic chemistry","2017","56","5","2621","2626","10.1021/acs.inorgchem.6b02797","","","0.71073","MoKα","","0.091","0.0444","","","0.1007","0.1163","","","","","","1.021","","","","has coordinates","194787","2020-10-21","18:00:00",""
"4345260","26.2509","0.0011","11.7782","0.0005","46.5792","0.0019","90","","90","","90","","14401.7","1","88","2","88","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H24 B Co F4 K N2 O6 -","- C22 H24 B Co F4 K N2 O6 -","- C528 H576 B24 Co24 F96 K24 N48 O144 -","24","3","","Reath, Alexander H.; Ziller, Joseph W.; Tsay, Charlene; Ryan, Austin J.; Yang, Jenny Y.","Redox Potential and Electronic Structure Effects of Proximal Nonredox Active Cations in Cobalt Schiff Base Complexes.","Inorganic chemistry","2017","56","6","3713","3718","10.1021/acs.inorgchem.6b03098","","","0.71073","MoKα","","0.0483","0.0316","","","0.0682","0.0762","","","","","","1.031","","","","has coordinates,has disorder","194806","2020-10-21","18:00:00",""
"4345300","13.212","0.003","24.938","0.007","27.221","0.007","90","","90","","90","","8969","4","95","2","95","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Al Cl6 Fe O10 Ti3 -","- C35 H56 Al Cl6 Fe O10 Ti3 -","- C280 H448 Al8 Cl48 Fe8 O80 Ti24 -","8","1","","Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr","Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02824","","","0.71073","MoKα","","0.0712","0.0436","","","0.0824","0.0923","","","","","","1.04","","","","has coordinates","192790","2020-10-21","18:00:00",""
"4345328","13.4698","0.0003","23.7635","0.0005","25.6963","0.0005","90","","90","","90","","8225.1","0.3","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 B F20 Fe N4 O2 -","- C40 H33 B F20 Fe N4 O2 -","- C320 H264 B8 F160 Fe8 N32 O16 -","8","1","","Bigelow, Jennifer O.; England, Jason; Klein, Johannes E. M. N.; Farquhar, Erik R.; Frisch, Jonathan R.; Martinho, Marlène; Mandal, Debasish; Münck, Eckard; Shaik, Sason; Que, Jr, Lawrence","Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity.","Inorganic chemistry","2017","56","6","3287","3301","10.1021/acs.inorgchem.6b02659","","","1.54178","CuKα","","0.0369","0.0291","","","0.0723","0.076","","","","","","1.026","","","","has coordinates","194819","2020-10-21","18:00:00",""
"4345398","23.557","0.004","22.381","0.003","24.904","0.004","90","","90","","90","","13130","4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C77 H56 Cl2 O P4 Rh2 -","- C77 H56 Cl2 O P4 Rh2 -","- C616 H448 Cl16 O8 P32 Rh16 -","8","1","","Matsusaka, Yuko; Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of Mono-, Di-, and Trinuclear Rhodium Diphosphine Complexes Containing Light-Harvesting Fluorene Backbones.","Inorganic chemistry","2017","56","3","1027","1030","10.1021/acs.inorgchem.6b02423","","","0.71075","MoKα","","0.0535","0.0377","","","0.0925","0.0962","","","","","","0.923","","","","has coordinates","192956","2020-10-21","18:00:00",""
"4345439","17.7574","0.0018","16.0785","0.0017","19.521","0.002","90","","90","","90","","5573.5","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H41 Cl Cu N3 S Si3 -","- C21 H41 Cl Cu N3 S Si3 -","- C168 H328 Cl8 Cu8 N24 S8 Si24 -","8","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.1813","0.0744","","","0.1019","0.1281","","","","","","1.064","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345441","17.993","0.002","15.7923","0.0016","19.676","0.002","90","","90","","90","","5591","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H41 Cl Cu N3 Se Si3 -","- C21 H41 Cl Cu N3 Se Si3 -","- C168 H328 Cl8 Cu8 N24 Se8 Si24 -","8","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.0556","0.0322","","","0.0567","0.0638","","","","","","1.05","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345442","18.1256","0.0019","15.6375","0.0016","19.893","0.002","90","","90","","90","","5638.5","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H41 Br Cu N3 Se Si3 -","- C21 H41 Br Cu N3 Se Si3 -","- C168 H328 Br8 Cu8 N24 Se8 Si24 -","8","1","","Parvin, Nasrina; Pal, Shiv; Khan, Shabana; Das, Shubhajit; Pati, Swapan K.; Roesky, Herbert W.","Unique Approach to Copper(I) Silylene Chalcogenone Complexes.","Inorganic chemistry","2017","56","3","1706","1712","10.1021/acs.inorgchem.6b02833","","","0.71073","MoKα","","0.1116","0.0793","","","0.1042","0.1137","","","","","","1.349","","","","has coordinates","192970","2020-10-21","18:00:00",""
"4345502","6.742","0.006","14.722","0.014","17.494","0.013","90","","90","","90","","1736","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Cd Cl3 N -","- C5 H6 Cd Cl3 N -","- C40 H48 Cd8 Cl24 N8 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi","Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).","Inorganic chemistry","2017","56","6","3506","3511","10.1021/acs.inorgchem.6b03074","","","0.71073","MoKα","","0.0346","0.0273","","","0.083","0.0998","","","","","","1.317","","","","has coordinates","194820","2020-10-21","18:00:00",""
"4345670","19.344","0.004","20.358","0.004","36.442","0.007","90","","90","","90","","14351","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H212 O3 Si28 Yb2 -","- C72 H212 O3 Si28 Yb2 -","- C288 H848 O12 Si112 Yb8 -","4","0.5","","Zitz, Rainer; Hlina, Johann; Aghazadeh Meshgi, Mohammad; Krenn, Heinz; Marschner, Christoph; Szilvási, Tibor; Baumgartner, Judith","Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00420","","","0.71073","MoKα","","0.1298","0.0987","","","0.262","0.2835","","","","","","1.078","","","","has coordinates,has disorder","195383","2020-10-21","18:00:00",""
"4345679","18.9774","0.0008","16.3898","0.0004","23.4059","0.0007","90","","90","","90","","7280.1","0.4","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H86 Br1.33 Cl0.68 N8 O6 -","- C74 H86 Br1.326 Cl0.674 N8 O6 -","- C296 H344 Br5.304 Cl2.696 N32 O24 -","4","0.5","","Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Bodapati, Ramakrishna; Das, Samar K.","A Functional Zn(II) Metallacycle Formed from an N-Heterocyclic Carbene Precursor: A Molecular Sensor for Selective Recognition of Fe(3+) and IO4(-) Ions.","Inorganic chemistry","2017","56","9","5017","5025","10.1021/acs.inorgchem.7b00098","","x-ray","1.54184","CuKα","","0.1157","0.0717","","","0.2061","0.2402","","","","","","1.023","","","","has coordinates,has disorder","196119","2020-10-21","18:00:00",""
"4345684","16.3043","0.0004","12.2138","0.0003","18.5935","0.0005","90","","90","","90","","3702.66","0.16","111","2","111","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(2-bromo-3-methylpyridine)dichlorocopper (II)","","- C12 H12 Br2 Cl4 Cu2 N2 -","- C12 H12 Br2 Cl4 Cu2 N2 -","- C96 H96 Br16 Cl32 Cu16 N16 -","8","1","","Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas-Ariño, Jordi; Novoa, Juan J.; Polson, Matthew; Wikaira, Jan L.","Ferromagnetic Exchange in Bichloride Bridged Cu(II) Chains: Magnetostructural Correlations between Ordered and Disordered Systems","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00535","","","0.71073","MoKα","","0.0633","0.0309","","","0.0676","0.0767","","","","","","1.018","","","","has coordinates","195420","2020-10-21","18:00:00",""
"4345685","16.0831","0.0004","12.2128","0.0003","18.5204","0.0005","90","","90","","90","","3637.77","0.16","111","2","111","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-(2-chloro-3-methylpyridine)dichlorocopper (II)","","- C6 H6 Cl3 Cu N -","- C6 H6 Cl3 Cu N -","- C96 H96 Cl48 Cu16 N16 -","16","2","","Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas-Ariño, Jordi; Novoa, Juan J.; Polson, Matthew; Wikaira, Jan L.","Ferromagnetic Exchange in Bichloride Bridged Cu(II) Chains: Magnetostructural Correlations between Ordered and Disordered Systems","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00535","","","0.71073","MoKα","","0.0193","0.0164","","","0.0411","0.048","","","","","","1.141","","","","has coordinates","195421","2020-10-21","18:00:00",""
"4345807","26.343","0.003","27.158","0.004","27.158","","90","","90","","90","","19429","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H61 Cd4 Cu6 N4 O30 -","- C50 H61 Cd4 Cu6 N4 O30 -","- C400 H488 Cd32 Cu48 N32 O240 -","8","1","","Lin, Li-Dan; Li, Xin-Xiong; Qi, Yan-Jie; Ma, Xiang; Zheng, Shou-Tian","Cluster Organic Frameworks Constructed from Heterometallic Supertetrahedral Cluster Secondary Building Units.","Inorganic chemistry","2017","56","8","4636","4643","10.1021/acs.inorgchem.7b00267","","","0.71073","MoKα","","0.1128","0.0651","","","0.153","0.165","","","","","","1.024","","","","has coordinates","195980","2020-10-21","18:00:00",""
"4345890","12.1766","0.0014","13.1172","0.0013","33.945","0.004","90","","90","","90","","5421.8","1","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 B3 F8 N3 O2 -","- C23 H32 B3 F8 N3 O2 -","- C184 H256 B24 F64 N24 O16 -","8","1","","Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei","Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).","Inorganic chemistry","2017","56","10","5586","5593","10.1021/acs.inorgchem.6b02993","","","0.71073","MoKα","","0.1327","0.0606","","","0.1164","0.1424","","","","","","1.009","","","","has coordinates","197237","2020-10-21","18:00:00",""
"4345922","8.7412","0.0003","23.776","0.0006","24.6736","0.0007","90","","90","","90","","5127.9","0.3","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23.5 H22 N3 O10.5 Tb -","- C23.5 H22 N3 O10.5 Tb -","- C188 H176 N24 O84 Tb8 -","8","1","","Ye, Jia-Wen; Lin, Jiao-Min; Mo, Zong-Wen; He, Chun-Ting; Zhou, Hao-Long; Zhang, Jie-Peng; Chen, Xiao-Ming","Mixed-Lanthanide Porous Coordination Polymers Showing Range-Tunable Ratiometric Luminescence for O2 Sensing.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00252","","","1.54178","CuKα","","0.0679","0.0599","","","0.1616","0.1664","","","","","","1.062","","","","has coordinates,has disorder","198947","2020-10-21","18:00:00",""
"4345924","8.5937","0.0002","24.2425","0.0007","24.6767","0.0006","90","","90","","90","","5141","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N3 O11 Tb -","- C23 H24 N3 O11 Tb -","- C184 H192 N24 O88 Tb8 -","8","1","","Ye, Jia-Wen; Lin, Jiao-Min; Mo, Zong-Wen; He, Chun-Ting; Zhou, Hao-Long; Zhang, Jie-Peng; Chen, Xiao-Ming","Mixed-Lanthanide Porous Coordination Polymers Showing Range-Tunable Ratiometric Luminescence for O2 Sensing.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00252","","","1.54184","CuKα","","0.0358","0.0313","","","0.0855","0.0882","","","","","","1.097","","","","has coordinates","198947","2020-10-21","18:00:00",""
"4345943","15.3807","0.0006","14.2441","0.0006","21.9973","0.0009","90","","90","","90","","4819.3","0.3","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl4 Co2 N8 -","- C20 H18 Cl4 Co2 N8 -","- C160 H144 Cl32 Co16 N64 -","8","1","","Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew","Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b02933","","","0.71073","MoKα","","0.0498","0.0327","","","0.0668","0.0719","","","","","","0.914","","","","has coordinates","198952","2020-10-21","18:00:00",""
"4346107","12.893","0.003","21.409","0.005","27.026","0.006","90","","90","","90","","7460","3","173","","173.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C26 H58 N O2 P2 Rh S2 Si2 -","- C26 H58 N O2 P2 Rh S2 Si2 -","- C208 H464 N8 O16 P16 Rh8 S16 Si16 -","8","1","","Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.","Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.","Inorganic chemistry","2015","54","7","3670","3679","10.1021/acs.inorgchem.5b00305","","","0.71073","MoKα","","0.1568","0.1042","","","0.222","0.242","","","","","","1.133","","","","has coordinates","231619","2020-10-21","18:00:00",""
"4346126","11.1889","0.0003","12.5095","0.0003","33.9283","0.0008","90","","90","","90","","4748.9","0.2","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H24 Cu4 I4 S3 -","- C9 H24 Cu4 I4 S3 -","- C72 H192 Cu32 I32 S24 -","8","1","","Knorr, Michael; Bonnot, Antoine; Lapprand, Antony; Khatyr, Abderrahim; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.","Reactivity of CuI and CuBr toward dialkyl sulfides RSR: from discrete molecular Cu4I4S4 and Cu8I8S6 clusters to luminescent copper(I) coordination polymers.","Inorganic chemistry","2015","54","8","4076","4093","10.1021/acs.inorgchem.5b00327","","x-ray","0.71073","MoKα","","0.0981","0.0961","","","0.2273","0.2281","","","","","","1.307","","","","has coordinates","231622","2020-10-21","18:00:00",""
"4346192","17.2231","0.0004","14.571","0.0002","27.9052","0.0006","90","","90","","90","","7003","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H24 Cl4 N6 Pt2 S2 -","- C35 H24 Cl4 N6 Pt2 S2 -","- C280 H192 Cl32 N48 Pt16 S16 -","8","1","","Sicilia, V.; Baya, M.; Borja, P.; Martín, A","Oxidation of Half-Lantern Pt2(II,II) Compounds by Halocarbons. Evidence of Dioxygen Insertion into a Pt(III)-CH3 Bond.","Inorganic chemistry","2015","54","15","7316","7324","10.1021/acs.inorgchem.5b00846","","","0.71073","MoKα","","0.0317","0.0201","","","0.0369","0.0377","","","","","","1.008","","","","has coordinates","231650","2020-10-21","18:00:00",""
"4346221","12.7099","0.0007","12.2485","0.0006","14.8299","0.001","90","","90","","90","","2308.7","0.2","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[di-μ-oxido-bis-μ-[4-amino-4H-1,2,4-triazole- κ^4^N1:N2]-tetraoxodimolybdenum(VI)]","","- C4 H8 Mo2 N8 O6 -","- C4 H8 Mo2 N8 O6 -","- C32 H64 Mo16 N64 O48 -","8","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0343","0.021","","","0.0445","0.0459","","","","","","0.87","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346225","13.3074","0.0009","11.6037","0.001","18.8502","0.0013","90","","90","","90","","2910.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[di-μ-oxido-μ~4~-[1,4-bis-(1,2,4-triazol-4-yl)benzene- κ^4^N1:N2:N1':N2']-tetraoxodimolybdenum(VI)] Monohydrate","","- C10 H10 Mo2 N6 O7 -","- C10 H8 Mo2 N6 O7 -","- C80 H64 Mo16 N48 O56 -","8","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Hauser, Jürg; Fuhrmann, Daniel; Kobalz, Merten; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Synthesis and Structural Elucidation of Triazolylmolybdenum(VI) Oxide Hybrids and Their Behavior as Oxidation Catalysts.","Inorganic chemistry","2015","54","17","8327","8338","10.1021/acs.inorgchem.5b01007","","","0.71073","MoKα","","0.0361","0.0235","","","0.05","0.0522","","","","","","0.956","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4346236","14.2098","0.0002","12.7936","0.0002","34.4691","0.0005","90","","90","","90","","6266.29","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F12 Ni O2 P2 -","- C9 H6 F12 Ni O2 P2 -","- C144 H96 F192 Ni16 O32 P32 -","16","2","","Allefeld, Nadine; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Ignat'ev, Nikolai; Hoge, Berthold","Transition Metal Complexes of Phosphinous Acids Featuring a Quasichelating Unit: Synthesis, Characterization, and Hetero-bimetallic Complexes.","Inorganic chemistry","2015","54","16","7945","7952","10.1021/acs.inorgchem.5b01038","","","0.71073","MoKα","","0.0626","0.0339","","","0.0656","0.0724","","","","","","1.042","","","","has coordinates","231676","2020-10-21","18:00:00",""
"4346249","8.2412","0.0009","9.5237","0.0011","17.8","0.002","90","","90","","90","","1397.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cu N12 -","- C10 H6 Cu N12 -","- C40 H24 Cu4 N48 -","4","0.5","","Dolai, Malay; Biswas, Surajit; Escuer, Albert; Ali, Mahammad","Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to Methylimidate by Sodium Azide: Isolation, Structural Characterization, and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.","Inorganic chemistry","2015","54","14","7030","7037","10.1021/acs.inorgchem.5b01061","","","0.71073","MoKα","","0.061","0.0372","","","0.1305","0.1781","","","","","","0.992","","","","has coordinates","231690","2020-10-21","18:00:00",""
"4346252","12.8151","0.0003","15.8751","0.0004","37.2411","0.0009","90","","90","","90","","7576.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 N2 P3 W -","- C35 H61 N2 P3 W -","- C280 H488 N16 P24 W8 -","8","1","","Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy","Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.","Inorganic chemistry","2015","54","17","8380","8387","10.1021/acs.inorgchem.5b01063","","","1.54178","CuKα","","0.101","0.0817","","","0.2251","0.2569","","","","","","1.07","","","","has coordinates","231692","2020-10-21","18:00:00",""
"4346254","20.4562","0.0005","20.5506","0.0006","36.1583","0.0015","90","","90","","90","","15200.5","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H109 Cl2 N4 P5 W2 -","- C70 H109 Cl2 N4 P5 W2 -","- C560 H872 Cl16 N32 P40 W16 -","8","1","","Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy","Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.","Inorganic chemistry","2015","54","17","8380","8387","10.1021/acs.inorgchem.5b01063","","x-ray","0.71073","MoKα","","0.1593","0.0796","","","0.1757","0.2409","","","","","","1.046","","","","has coordinates","231692","2020-10-21","18:00:00",""
"4346300","16.0122","0.0019","8.7416","0.0021","35.516","0.007","90","","90","","90","","4971.3","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","trans-III-(RRSS)-(1-(2,4-dinitrophenyl)-1,4,8,11-tetra-azacyclotetradecane) -copper(ii) dichloride diethylether water solvate","","","- C18 H33 Cl2 Cu N6 O5.5 -","- C18 H33 Cl2 Cu N6 O5.5 -","- C144 H264 Cl16 Cu8 N48 O44 -","8","1","","Boiocchi, Massimo; Ciarrocchi, Carlo; Fabbrizzi, Luigi; Licchelli, Maurizio; Mangano, Carlo; Poggi, Antonio; Vázquez López, Miguel","Copper(II) Complexes of Cyclams Containing Nitrophenyl Substituents: Push-Pull Behavior and Scorpionate Coordination of the Nitro Group.","Inorganic chemistry","2015","54","21","10197","10207","10.1021/acs.inorgchem.5b01273","","","0.71073","MoKα","","0.0859","0.0719","","","0.1474","0.1534","","","","","","1.265","","","","has coordinates","231722","2020-10-21","18:00:00",""
"4346319","20.0376","0.0006","18.72","0.0006","21.5543","0.0007","90","","90","","90","","8085.1","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 B2 O5 Ru5 -","- C35 H50 B2 O5 Ru5 -","- C280 H400 B16 O40 Ru40 -","8","1","","Yuvaraj, K.; Roy, Dipak Kumar; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","Homometallic Cubane Clusters: Participation of Three-Coordinated Hydrogen in 60-Valence Electron Cubane Core.","Inorganic chemistry","2015","54","17","8673","8678","10.1021/acs.inorgchem.5b01298","","","0.71073","MoKα","","0.0611","0.0389","","","0.0934","0.1089","","","","","","1.108","","","","has coordinates,has disorder","231727","2020-10-21","18:00:00",""
"4346325","21.993","0.004","24.211","0.005","29.741","0.007","90","","90","","90","","15836","6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C130 H162 Cl8 N8 O46 P8 Zn8 -","- C130 H162 Cl8 N8 O46 P8 Zn8 -","- C520 H648 Cl32 N32 O184 P32 Zn32 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.1653","0.1603","","","0.2715","0.2735","","","","","","1.533","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346326","21.872","0.009","23.851","0.009","30.092","0.012","90","","90","","90","","15698","11","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C126 H162 Br8 N6 O48 P8 Zn8 -","- C126 H162 Br8 N6 O48 P8 Zn8 -","- C504 H648 Br32 N24 O192 P32 Zn32 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71073","MoKα","","0.1345","0.1264","","","0.2131","0.2166","","","","","","1.374","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346334","23.635","0.008","16.117","0.005","28.985","0.009","90","","90","","90","","11041","6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H33 B2 F8 Fe N28 O12 -","- C37 H33 B2 F8 Fe N28 O12 -","- C296 H264 B16 F64 Fe8 N224 O96 -","8","1","","Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian","Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.","Inorganic chemistry","2015","54","16","8077","8086","10.1021/acs.inorgchem.5b01313","","","0.71073","MoKα","","0.1054","0.0912","","","0.2327","0.2443","","","","","","1.095","","","","has coordinates,has disorder","231731","2020-10-21","18:00:00",""
"4346378","21.436","0.004","17.631","0.004","25.446","0.005","90","","90","","90","","9617","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C43 H36 Cl4 Co F12 N8 O P2 -","- C43 H36 Cl4 Co F12 N8 O P2 -","- C344 H288 Cl32 Co8 F96 N64 O8 P16 -","8","1","","Guo, Ying; Yang, Xiu-Long; Wei, Rong-Jia; Zheng, Lan-Sun; Tao, Jun","Spin Transition and Structural Transformation in a Mononuclear Cobalt(II) Complex.","Inorganic chemistry","2015","54","16","7670","7672","10.1021/acs.inorgchem.5b01344","","","0.71073","MoKα","","0.0614","0.0496","","","0.1384","0.1463","","","","","","1.065","","","","has coordinates","231750","2020-10-21","18:00:00",""
"4346423","18.468","0.005","14.827","0.005","20.426","0.005","90","","90","","90","","5593","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dichloridobis(N,N'-tert-butyl selenium diimide)- cadmium-acetonitrile(1/1)","","- C18 H39 Cd Cl2 N5 Se2 -","- C18 H39 Cd Cl2 N5 Se2 -","- C144 H312 Cd8 Cl16 N40 Se16 -","8","1","","Karhu, Aino J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide.","Inorganic chemistry","2015","54","19","9499","9508","10.1021/acs.inorgchem.5b01434","","","0.71073","MoKα","","0.0532","0.0386","","","0.0945","0.1026","","","","","","1.103","","","","has coordinates","231766","2020-10-21","18:00:00",""
"4346424","18.485","0.005","14.886","0.005","20.405","0.005","90","","90","","90","","5615","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dichloridobis(N,N'-tert-butyl selenium diimide)- mercury-acetonitrile(1/1)","","- C18 H39 Cl2 Hg N5 Se2 -","- C18 H39 Cl2 Hg N5 Se2 -","- C144 H312 Cl16 Hg8 N40 Se16 -","8","1","","Karhu, Aino J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","Mercury- and cadmium-assisted [2 + 2] cyclodimerization of tert-butylselenium diimide.","Inorganic chemistry","2015","54","19","9499","9508","10.1021/acs.inorgchem.5b01434","","","0.71073","MoKα","","0.067","0.0471","","","0.1101","0.1204","","","","","","1.129","","","","has coordinates","231767","2020-10-21","18:00:00",""
"4346429","15.0415","0.0014","14.3574","0.0012","35.275","0.003","90","","90","","90","","7617.9","1.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Au2 Ge2 I2 N4 O -","- C30 H46 Au2 Ge2 I2 N4 O -","- C240 H368 Au16 Ge16 I16 N32 O8 -","8","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Sinhababu, Soumen; Karwasara, Surendar; Singh, Dharmendra; Rajaraman, Gopalan; Nagendran, Selvarajan","Digermylene Oxide Stabilized Group 11 Metal Iodide Complexes.","Inorganic chemistry","2015","54","23","11067","11076","10.1021/acs.inorgchem.5b01436","","","0.71073","MoKα","","0.0938","0.0668","","","0.1312","0.1429","","","","","","1.131","","","","has coordinates","231768","2020-10-21","18:00:00",""
"4346538","11.662","0.003","11.82","0.003","16.928","0.005","90","","90","","90","","2333.4","1.1","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Co N10 O2 -","- C24 H20 Co N10 O2 -","- C96 H80 Co4 N40 O8 -","4","0.5","","Liu, Xiangyu; Sun, Lin; Zhou, Huiliang; Cen, Peipei; Jin, Xiaoyong; Xie, Gang; Chen, Sanping; Hu, Qilin","Single-ion-magnet behavior in a two-dimensional coordination polymer constructed from Co(II) nodes and a pyridylhydrazone derivative.","Inorganic chemistry","2015","54","18","8884","8886","10.1021/acs.inorgchem.5b01651","","","0.71073","MoKα","","0.0667","0.037","","","0.0866","0.1007","","","","","","1.014","","","","has coordinates","231829","2020-10-21","18:00:00",""
"4346567","8.05","0.002","15.143","0.004","32.934","0.008","90","","90","","90","","4014.7","1.8","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N5 O5 Re -","- C20 H14 N5 O5 Re -","- C160 H112 N40 O40 Re8 -","8","1","","North, Andrea J.; Hayne, David J.; Schieber, Christine; Price, Katherine; White, Anthony R.; Crouch, Peter J.; Rigopoulos, Angela; O'Keefe, Graeme J; Tochon-Danguy, Henri; Scott, Andrew M.; White, Jonathan M.; Ackermann, Uwe; Donnelly, Paul S.","Toward hypoxia-selective rhenium and technetium tricarbonyl complexes.","Inorganic chemistry","2015","54","19","9594","9610","10.1021/acs.inorgchem.5b01691","","","0.71073","MoKα","","0.0381","0.0347","","","0.0867","0.0885","","","","","","1.097","","","","has coordinates","231848","2020-10-21","18:00:00",""
"4346690","8.697","0.006","7.939","0.005","14.175","0.01","90","","90","","90","","978.7","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H10 B N -","- C2 H10 B N -","- C16 H80 B8 N8 -","8","1","","Stubbs, Naomi E.; Schäfer, André; Robertson, Alasdair P. M.; Leitao, Erin M.; Jurca, Titel; Sparkes, Hazel A.; Woodall, Christopher H.; Haddow, Mairi F.; Manners, Ian","B-Methylated Amine-Boranes: Substituent Redistribution, Catalytic Dehydrogenation, and Facile Metal-Free Hydrogen Transfer Reactions.","Inorganic chemistry","2015","54","22","10878","10889","10.1021/acs.inorgchem.5b01946","","","0.71073","MoKα","","0.1074","0.0582","","","0.135","0.1608","","","","","","1.063","","","","has coordinates","231925","2020-10-21","18:00:00",""
"4346726","18.508","0.004","14.61","0.003","13.627","0.003","90","","90","","90","","3684.8","1.4","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H9 I7 N2 -","- C5 H9 I7 N2 -","- C40 H72 I56 N16 -","8","1","","Fei, Zhaofu; Bobbink, Félix D; Păunescu, Emilia; Scopelliti, Rosario; Dyson, Paul J.","Influence of Elemental Iodine on Imidazolium-Based Ionic Liquids: Solution and Solid-State Effects.","Inorganic chemistry","2015","54","21","10504","10512","10.1021/acs.inorgchem.5b02021","","","0.71073","MoKα","","0.0913","0.0775","","","0.2101","0.2556","","","","","","1.155","","","","has coordinates","231938","2020-10-21","18:00:00",""
"4346848","18.7381","0.0011","18.6958","0.0006","18.9958","0.0006","90","","90","","90","","6654.7","0.5","203","","203","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H40 N2 O12 Zn3 -","- C29 H40 N2 O12 Zn3 -","- C232 H320 N16 O96 Zn24 -","8","1","","Thevenon, Arnaud; Garden, Jennifer A.; White, Andrew J. P.; Williams, Charlotte K.","Dinuclear Zinc Salen Catalysts for the Ring Opening Copolymerization of Epoxides and Carbon Dioxide or Anhydrides.","Inorganic chemistry","2015","54","24","11906","11915","10.1021/acs.inorgchem.5b02233","","","0.71073","MoKα","","0.1016","0.0531","","","0.0898","0.1102","","","","","","1.123","","","","has coordinates","232013","2020-10-21","18:00:00",""
"4346909","22.3972","0.0013","7.9229","0.0004","34.2903","0.0019","90","","90","","90","","6084.8","0.6","100","2","100","2","","","","","","","synthetical product","5","P b c a","-P 2ac 2ab","61","(4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O"")-dioxo-molybdenum(VI) acetonitrile solvate (1:1)","(4,6-di-tert-butyl-6-[(E)-({2-methyl-1-[(methylamino)carbonyl]-2-oxi- do-4-oxopentyl}imino)methyl]benzenolato-N,O,O',O"")-dioxo-molybdenum(VI) acetonitrile solvate (1:1)","","- C28 H43 Mo N3 O6 -","- C28 H43 Mo N3 O6 -","- C224 H344 Mo8 N24 O48 -","8","1","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0661","0.0465","","","0.1158","0.1341","","","","","","1.073","","","","has coordinates,has disorder","232059","2020-10-21","18:00:00",""
"4346973","17.1643","0.0004","17.159","0.0005","26.0656","0.0008","90","","90","","90","","7676.9","0.4","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H51 B2 D3 F8 Fe N7 Ni -","- C34 H51 B2 F8 Fe N7 Ni -","- C272 H408 B16 F64 Fe8 N56 Ni8 -","8","1","","Jess, Kristof; Baabe, Dirk; Bannenberg, Thomas; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.","Inorganic chemistry","2015","54","24","12032","12045","10.1021/acs.inorgchem.5b02457","","","1.54184","CuKα","","0.0442","0.0418","","","0.1052","0.107","","","","","","1.05","","","","has coordinates","232085","2020-10-21","18:00:00",""
"4347023","13.9271","0.0008","21.5806","0.0012","41.373","0.002","90","","90","","90","","12434.9","1.2","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F12 Gd2 N12 O13 P2 -","- C52 H78 F12 Gd2 N12 O13 P2 -","- C416 H624 F96 Gd16 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Kálmán, Ferenc Krisztián; Bényei, Attila Csaba; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Complexation of Ln(3+) Ions with Cyclam Dipicolinates: A Small Bridge that Makes Huge Differences in Structure, Equilibrium, and Kinetic Properties.","Inorganic chemistry","2016","55","5","2227","2239","10.1021/acs.inorgchem.5b02627","","x-ray","0.71073","MoKα","","0.0869","0.0468","","","0.0887","0.1035","","","","","","1.026","","","","has coordinates,has disorder","232119","2020-10-21","18:00:00",""
"4347209","21.228","0.003","15.011","0.002","26.045","0.004","90","","90","","90","","8299","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H48 Br2 N4 Nb O -","- C45 H48 Br2 N4 Nb O -","- C360 H384 Br16 N32 Nb8 O8 -","8","1","","Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.","Inorganic chemistry","2016","55","9","4173","4182","10.1021/acs.inorgchem.5b02888","","","0.71073","MoKα","","0.1063","0.0806","","","0.2408","0.2651","","","","","","1.044","","","","has coordinates","232224","2020-10-21","18:00:00",""
"4347212","10.5383","0.0004","11.1199","0.0005","18.1015","0.0009","90","","90","","90","","2121.22","0.16","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Cl3 Co N S -","- C4 H12 Cl3 Co N S -","- C32 H96 Cl24 Co8 N8 S8 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre","Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.","Inorganic chemistry","2016","55","9","4183","4198","10.1021/acs.inorgchem.5b02889","","x-ray","0.71073","MoKα","","0.0604","0.0369","","","0.0687","0.0746","","","","","","1.036","","","","has coordinates","232225","2020-10-21","18:00:00",""
"4347218","21.4976","0.0015","13.0927","0.0009","27.0195","0.0018","90","","90","","90","","7605","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H54 B F5 N4 O V -","- C36 H39 B F5 N4 O V -","- C288 H312 B8 F40 N32 O8 V8 -","8","1","","Passadis, Stamatis S.; Tsiafoulis, Constantinos; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Synthesis, Bonding, and Reactivity of Vanadium(IV) Oxido-Fluorido Compounds with Neutral Chelate Ligands of the General Formula cis-[V(IV)(═O)(F)(L(N-N))2](+).","Inorganic chemistry","2016","55","4","1364","1366","10.1021/acs.inorgchem.5b02895","","","0.71073","MoKα","","0.1253","0.0724","","","0.1859","0.2332","","","","","","1.048","","","","has coordinates,has disorder","232227","2020-10-21","18:00:00",""
"4347287","10.2144","0.0003","16.6314","0.0006","26.3951","0.0008","90","","90","","90","","4484","0.2","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[1-(1-methyethyl)-3-(pyridin-2-yl-κ<i>N</i>)-2,3-dihydro-1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^][bis(phenylethynyl)] platinum(II)","","- C27 H23 N3 Pt -","- C27 H23 N3 Pt -","- C216 H184 N24 Pt8 -","8","1","","Bachmann, Michael; Suter, Dominik; Blacque, Olivier; Venkatesan, Koushik","Tunable and Efficient White Light Phosphorescent Emission Based on Single Component N-Heterocyclic Carbene Platinum(II) Complexes.","Inorganic chemistry","2016","55","10","4733","4745","10.1021/acs.inorgchem.5b02962","","","0.71073","MoKα","","0.0572","0.0464","","","0.0782","0.0817","","","","","","1.239","","","","has coordinates","232243","2020-10-21","18:00:00",""
"4347351","15.4979","0.0009","13.4644","0.0007","32.4682","0.0018","90","","90","","90","","6775.1","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20.4 H10.8 In2 N1.2 O13.4 -","- C20.4 H10.8 In2 N1.2 O13.4 -","- C163.2 H86.4 In16 N9.6 O107.2 -","8","1","","Liu, Lin; Wang, Shi-Ming; Han, Zheng-Bo; Ding, Meili; Yuan, Da-Qiang; Jiang, Hai-Long","Exceptionally Robust In-Based Metal-Organic Framework for Highly Efficient Carbon Dioxide Capture and Conversion.","Inorganic chemistry","2016","55","7","3558","3565","10.1021/acs.inorgchem.6b00050","","","0.71073","MoKα","","0.0754","0.0555","","","0.1249","0.1338","","","","","","1.109","","","","has coordinates,has disorder","232281","2020-10-21","18:00:00",""
"4347362","19.8685","0.0016","14.4875","0.001","24.6277","0.0013","90","","90","","90","","7089","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H25 B9 Rh -","- C10 H25 B9 Rh -","- C160 H400 B144 Rh16 -","16","2","","Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal","Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.","Inorganic chemistry","2016","55","10","4764","4770","10.1021/acs.inorgchem.6b00076","","","0.71073","MoKα","","0.0948","0.0681","","","0.1598","0.1817","","","","","","1.08","","","","has coordinates","232286","2020-10-21","18:00:00",""
"4347488","24.229","0.0016","14.4468","0.001","24.3195","0.0013","90","","90","","90","","8512.6","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Cl2 P4 -","- C48 H50 Cl2 P4 -","- C384 H400 Cl16 P32 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.1068","0.048","","","0.0919","0.1167","","","","","","1.002","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347489","12.362","0.0003","15.7778","0.0004","49.6197","0.0015","90","","90","","90","","9678.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53.91 H55.91 As2 Cl2 P2 -","- C53.9076 H55.9076 As2 Cl2 P2 -","- C431.261 H447.261 As16 Cl16 P16 -","8","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Synthesis of Heavy Cyclodipnictadiphosphanes [ClE(μ-P-Ter)]2 [E = P, As, Sb, or Bi; Ter = 2,6-bis(2,4,6-trimethylphenyl)phenyl].","Inorganic chemistry","2016","55","7","3692","3699","10.1021/acs.inorgchem.6b00218","","","0.71073","MoKα","","0.0991","0.0461","","","0.0812","0.0969","","","","","","1.014","","","","has coordinates,has disorder","232338","2020-10-21","18:00:00",""
"4347491","18.6397","0.0005","12.4461","0.0003","30.7444","0.0009","90","","90","","90","","7132.4","0.3","180","","180","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29.5 H35 Br Dy N3 O12.5 Zn -","- C29.5 H31 Br Dy N3 O12.5 Zn -","- C236 H248 Br8 Dy8 N24 O100 Zn8 -","8","1","","Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique","Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.","Inorganic chemistry","2016","55","9","4428","4440","10.1021/acs.inorgchem.6b00228","","","0.71073","MoKα","","0.0505","0.0441","","0.0531","0.0412","0.0392","","","","","","1.0184","","","","has coordinates","232339","2020-10-21","18:00:00",""
"4347550","16.255","","16.2548","0.001","22.2047","0.0015","90","","90","","90","","5867","0.5","100","2","100.02","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Cl2 Mo O3 P2 -","- C31 H38 Cl2 Mo O3 P2 -","- C248 H304 Cl16 Mo8 O24 P16 -","8","1","","Henthorn, Justin T.; Agapie, Theodor","Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions.","Inorganic chemistry","2016","55","11","5337","5342","10.1021/acs.inorgchem.6b00331","","","0.71073","MoKα","","0.0634","0.0338","","","0.0805","0.0868","","","","","","0.954","","","","has coordinates","232374","2020-10-21","18:00:00",""
"4347646","12.6873","0.0004","15.5411","0.0004","46.6493","0.0018","90","","90","","90","","9198.1","0.5","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H36 F12 N8 P2 Ru -","- C50 H36 F12 N8 P2 Ru -","- C400 H288 F96 N64 P16 Ru8 -","8","1","","Schlotthauer, Tina; Suchland, Benedikt; Görls, Helmar; Parada, Giovanny A.; Hammarström, Leif; Schubert, Ulrich S.; Jäger, Michael","Aryl-Decorated Ru(II) Polypyridyl-type Photosensitizer Approaching NIR Emission with Microsecond Excited State Lifetimes.","Inorganic chemistry","2016","55","11","5405","5416","10.1021/acs.inorgchem.6b00420","","","0.71073","MoKα","","0.0591","0.0391","","","0.0819","0.09","","","","","","1.034","","","","has coordinates,has disorder","232420","2020-10-21","18:00:00",""
"4347683","10.8495","0.0008","20.5248","0.0016","30.165","0.003","90","","90","","90","","6717.3","1","100","2","100","2","","","","","","","synthetical product","6","P b c a","-P 2ac 2ab","61","trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)","trans chloro-oxo-[2,2'-{1,2-phenylenebis[nitrilo(E)methylyli- dene]}bis(4,6-di-tert-butyl-phenolato)-N,N',O,O']-rhenium(V)","","- C36 H46 Cl N2 O3 Re -","- C36 H46 Cl N2 O3 Re -","- C288 H368 Cl8 N16 O24 Re8 -","8","1","","Zwettler, Niklas; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxidorhenium(V) Complexes with Tetradentate Iminophenolate Ligands: Influence of Ligand Flexibility on the Coordination Motif and Oxygen-Atom-Transfer Activity.","Inorganic chemistry","2016","55","12","5973","5982","10.1021/acs.inorgchem.6b00466","","","0.71073","MoKα","","0.1301","0.0661","","","0.1071","0.1172","","","","","","1.029","","","","has coordinates,has disorder","232438","2020-10-21","18:00:00",""
"4347784","8.5436","0.0004","14.1363","0.001","17.4376","0.0011","90","","90","","90","","2106","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(trimethylsilyl)methyl nitrocarbamate","(trimethylsilyl)methyl nitrocarbamate","","- C5 H12 N2 O4 Si -","- C5 H12 N2 O4 Si -","- C40 H96 N16 O32 Si8 -","8","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.078","0.0441","","","0.0975","0.1179","","","","","","1.015","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347791","17.64","0.002","22.476","0.002","25.573","0.003","90","","90","","90","","10139.1","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H57 Cl2 N3 O4 P2 Re -","- C55 H57 Cl2 N3 O4 P2 Re -","- C440 H456 Cl16 N24 O32 P16 Re8 -","8","1","","Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl","Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study.","Inorganic chemistry","2016","55","10","5019","5036","10.1021/acs.inorgchem.6b00609","","","0.71073","MoKα","","0.0494","0.028","","","0.0523","0.0598","","","","","","1.068","","","","has coordinates","232503","2020-10-21","18:00:00",""
"4347894","17.7742","0.0003","25.4947","0.0004","27.3526","0.0006","90","","90","","90","","12394.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H108 Ge14 O90 Pr12 -","- C51.74 H100 Ge14 O90 Pr12 -","- C206.96 H400 Ge56 O360 Pr48 -","4","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0404","0.0316","","","0.0782","0.083","","","","","","1.046","","","","has coordinates","232573","2020-10-21","18:00:00",""
"4347897","17.7374","0.0003","25.2703","0.0004","27.2582","0.0004","90","","90","","90","","12217.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H108 Ge14 Nd12 O90 -","- C52 H96 Ge14 Nd12 O86 -","- C208 H384 Ge56 Nd48 O344 -","4","0.5","","Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.","Inorganic chemistry","2016","55","11","5671","5683","10.1021/acs.inorgchem.6b00754","","","0.71073","MoKα","","0.0812","0.0717","","","0.1811","0.1875","","","","","","1.061","","","","has coordinates","232576","2020-10-21","18:00:00",""
"4347904","12.3156","0.0006","15.5113","0.001","18.9521","0.0012","90","","90","","90","","3620.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cd N3 O6 -","- C15 H17 Cd N3 O6 -","- C120 H136 Cd8 N24 O48 -","8","1","","Pachfule, Pradip; Garai, Bikash; Banerjee, Rahul","Functionalization and Isoreticulation in a Series of Metal-Organic Frameworks Derived from Pyridinecarboxylates.","Inorganic chemistry","2016","55","15","7200","7205","10.1021/acs.inorgchem.6b00758","","","0.71073","MoKα","","0.0398","0.0233","","","0.051","0.0534","","","","","","0.97","","","","has coordinates","232579","2020-10-21","18:00:00",""
"4347913","21.6936","0.0013","17.4045","0.001","23.677","0.0014","90","","90","","90","","8939.6","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H68 Cl4 Fe6 N2 O26 -","- C90 H68 Cl4 Fe6 N2 O26 -","- C360 H272 Cl16 Fe24 N8 O104 -","4","0.5","","Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George","Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters.","Inorganic chemistry","2016","55","13","6597","6608","10.1021/acs.inorgchem.6b00769","","","0.71073","MoKα","","0.07","0.0331","","","0.0668","0.0741","","","","","","0.882","","","","has coordinates,has disorder","232583","2020-10-21","18:00:00",""
"4347959","20.5188","0.0007","16.0971","0.001","26.4535","0.001","90","","90","","90","","8737.4","0.7","150.01","0.11","150.01","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylamido)europium(II)","","- C36 H84 Eu N2 Si4 -","- C36 H84 Eu N2 Si4 -","- C288 H672 Eu8 N16 Si32 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.07","0.0487","","","0.1135","0.1264","","","","","","1.039","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347960","20.4847","0.0005","16.0637","0.0007","26.4034","0.001","90","","90","","90","","8688.3","0.5","100.03","0.1","100.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylsilyl)amido)europium(II)","","- C36 H84 Eu N2 Si4 -","- C36 H84 Eu N2 Si4 -","- C288 H672 Eu8 N16 Si32 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","x-ray","0.71073","MoKα","","0.0552","0.0382","","","0.0726","0.0789","","","","","","1.039","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347962","20.4979","0.0007","16.1891","0.0006","26.1295","0.0008","90","","90","","90","","8670.9","0.5","150.02","0.1","150.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H84 N2 Si4 Yb -","- C36 H84 N2 Si4 Yb -","- C288 H672 N16 Si32 Yb8 -","8","1","","Goodwin, Conrad A. P.; Chilton, Nicholas F.; Vettese, Gianni F.; Moreno Pineda, Eufemio; Crowe, Iain F.; Ziller, Joseph W.; Winpenny, Richard E. P.; Evans, William J.; Mills, David P.","Physicochemical Properties of Near-Linear Lanthanide(II) Bis(silylamide) Complexes (Ln = Sm, Eu, Tm, Yb).","Inorganic chemistry","2016","55","20","10057","10067","10.1021/acs.inorgchem.6b00808","","","0.71073","MoKα","","0.0649","0.0403","","","0.07","0.0826","","","","","","1.055","","","","has coordinates,has disorder","232594","2020-10-21","18:00:00",""
"4347985","11.4978","0.0005","13.3495","0.0006","22.0594","0.0011","90","","90","","90","","3385.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 O P S2 -","- C19 H17 O P S2 -","- C152 H136 O8 P8 S16 -","8","1","","Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich","New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes.","Inorganic chemistry","2016","55","12","6186","6194","10.1021/acs.inorgchem.6b00821","","","0.71073","MoKα","","0.064","0.0458","","","0.1004","0.1085","","","","","","1.121","","","","has coordinates","232615","2020-10-21","18:00:00",""
"4348008","13.4682","0.0003","11.7809","0.0002","30.2654","0.0006","90","","90","","90","","4802.14","0.16","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H35 Cs Li N2 Si4 -","- C12 H35 Cs Li N2 Si4 -","- C96 H280 Cs8 Li8 N16 Si32 -","8","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; O'Hara, Charles T","Structural Studies of Cesium, Lithium/Cesium, and Sodium/Cesium Bis(trimethylsilyl)amide (HMDS) Complexes.","Inorganic chemistry","2016","55","11","5719","5728","10.1021/acs.inorgchem.6b00839","","","1.54184","CuKα","","0.04","0.0336","","","0.0862","0.0912","","","","","","1.032","","","","has coordinates,has disorder","232638","2020-10-21","18:00:00",""
"4348026","19.3028","0.0009","15.8763","0.0007","24.1422","0.0011","90","","90","","90","","7398.5","0.6","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H34 F12 N7 O5 P2 Ru2 -","- C28 H34 F12 N7 O5 P2 Ru2 -","- C224 H272 F96 N56 O40 P16 Ru16 -","8","1","","Suzuki, Tomoyo; Suzuki, Yutaka; Kawamoto, Tatsuya; Miyamoto, Ryo; Nanbu, Shinkoh; Nagao, Hirotaka","Dinuclear Ruthenium(III)-Ruthenium(IV) Complexes, Having a Doubly Oxido-Bridged and Acetato- or Nitrato-Capped Framework.","Inorganic chemistry","2016","55","14","6830","6832","10.1021/acs.inorgchem.6b00890","","","0.71075","MoKα","","0.0509","0.0478","","","0.1194","0.122","","","","","","1.161","","","","has coordinates","232656","2020-10-21","18:00:00",""
"4348055","11.1992","0.0004","7.8525","0.0003","18.8658","0.0006","90","","90","","90","","1659.09","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N5 -","- C9 H9 N5 -","- C72 H72 N40 -","8","1","","Mandal, Soham; Wang, Can; Prajapati, Rajneesh K.; Kösters, Jutta; Verma, Sandeep; Chi, Lifeng; Müller, Jens","Metal-Mediated Assembly of 1,N(6)-Ethenoadenine: From Surfaces to DNA Duplexes.","Inorganic chemistry","2016","55","14","7041","7050","10.1021/acs.inorgchem.6b00927","","","0.71073","MoKα","","0.0474","0.0407","","","0.106","0.1119","","","","","","1.051","","","","has coordinates","232711","2020-10-21","18:00:00",""
"4348192","13.5477","0.0011","20.56","0.002","8.7151","0.0007","90","","90","","90","","2427.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Cu2 I N6 O0 -","- C10 H7 Cu2 I N6 -","- C80 H56 Cu16 I8 N48 -","8","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","0.71073","MoKα","","0.0242","0.0214","","","0.0528","0.0544","","","","","","1.002","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348303","12.9385","0.0003","6.731","0.0001","17.024","0.0004","90","","90","","90","","1482.6","0.05","295","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 3","","- C5 H5 Mn N2 O6 -","- C5 H5 Mn N2 O6 -","- C40 H40 Mn8 N16 O48 -","8","1","","Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar","1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties","Inorganic Chemistry Frontiers","2015","2","3","278","","10.1039/C4QI00129J","","","0.71073","MoKα","","0.0348","0.0274","","","0.0862","0.1113","","","","","","1.328","","","","has coordinates","232868","2020-10-21","18:00:00",""
"4348316","13.919","0.004","13.681","0.004","17.101","0.004","90","","90","","90","","3256.5","1.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 F5 N S -","- C5 H6 F5 N S -","- C80 H96 F80 N16 S16 -","16","2","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0442","0.0298","","","0.0805","0.0936","","","","","","1.093","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348402","23.101","0.0011","12.7869","0.0006","29.6524","0.0014","90","","90","","90","","8759","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br2 N Ni O P -","- C19 H26 Br2 N Ni O P -","- C304 H416 Br32 N16 Ni16 O16 P16 -","16","2","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.0501","0.0303","","","0.0547","0.0619","","","","","","1.092","","","","has coordinates","232901","2020-10-21","18:00:00",""
"4348439","15.5193","0.0003","15.7336","0.0003","17.1506","0.0003","90","","90","","90","","4187.74","0.14","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 F3 N4 O3 P S -","- C19 H20 F3 N4 O3 P S -","- C152 H160 F24 N32 O24 P8 S8 -","8","1","","Macdonald, Charles L. B.; Binder, Justin F.; Swidan, Ala'aeddeen; Nguyen, Jennifer H.; Kosnik, Stephanie C.; Ellis, Bobby D.","Convenient Preparation and Detailed Analysis of a Series of NHC-Stabilized Phosphorus(I) Dyes and Their Derivatives.","Inorganic chemistry","2016","55","14","7152","7166","10.1021/acs.inorgchem.6b01163","","","1.54178","CuKα","","0.0714","0.0509","","","0.1273","0.1418","","","","","","1.026","","","","has coordinates","232915","2020-10-21","18:00:00",""
"4348459","20.07","0.03","12.235","0.016","20.36","0.03","90","","90","","90","","5000","12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Ghosh, Pradyut","A Highly Sensitive ESIPT-Based Ratiometric Fluorescence Sensor for Selective Detection of Al(3.).","Inorganic chemistry","2016","55","18","9212","9220","10.1021/acs.inorgchem.6b01170","","","0.71073","MoKα","","0.0808","0.0455","","","0.1204","0.1477","","","","","","0.96","","","","has coordinates","232957","2020-10-21","18:00:00",""
"4348511","19.0947","0.0003","15.2858","0.0002","21.6894","0.0005","90","","90","","90","","6330.7","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl Cr N4 -","- C32 H46 Cl Cr N4 -","- C256 H368 Cl8 Cr8 N32 -","8","1","","Tyler, Sarah F.; Judkins, Eileen C.; Song, You; Cao, Fan; McMillin, David R.; Fanwick, Phillip E.; Ren, Tong","Cr(III)-HMC (HMC = 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Alkynyl Complexes: Preparation and Emission Properties.","Inorganic chemistry","2016","55","17","8736","8743","10.1021/acs.inorgchem.6b01285","","","0.71073","MoKα","","0.0763","0.0404","","","0.1019","0.1214","","","","","","1.029","","","","has coordinates","233043","2020-10-21","18:00:00",""
"4348524","29.097","0.002","35.554","0.003","45.696","0.003","90","","90","","90","","47273","6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C164 H170 Cl12 N24 O43 Y Yb -","- C164 H170 Cl12 N24 O43 Y Yb -","- C1312 H1360 Cl96 N192 O344 Y8 Yb8 -","8","1","","Polovkova, Marina A.; Martynov, Alexander G.; Birin, Kirill P.; Nefedov, Sergey E.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu","Determination of the Structural Parameters of Heteronuclear (Phthalocyaninato)bis(crownphthalocyaninato)lanthanide(III) Triple-Deckers in Solution by Simultaneous Analysis of NMR and Single-Crystal X-ray Data.","Inorganic chemistry","2016","55","18","9258","9269","10.1021/acs.inorgchem.6b01292","","","0.71073","MoKα","","0.2181","0.1084","","","0.2723","0.3145","","","","","","0.808","","","","has coordinates","233050","2020-10-21","18:00:00",""
"4348640","16.7442","0.0011","19.613","0.0014","19.9989","0.0013","90","","90","","90","","6567.7","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(PPN)2SnCl(NO3)5","","","- C72 H60 Cl5 N3 O3 P4 Sn -","- C72 H60 Cl5 N3 O3 P4 Sn -","- C288 H240 Cl20 N12 O12 P16 Sn4 -","4","0.5","","Portius, Peter; Peerless, Benjamin; Davis, Martin; Campbell, Rory","Homoleptic Poly(nitrato) Complexes of Group 14 Stable at Ambient Conditions.","Inorganic chemistry","2016","55","17","8976","8984","10.1021/acs.inorgchem.6b01455","","","0.71073","MoKα","","0.0361","0.0296","","","0.0725","0.0764","","","","","","1.022","","","","has coordinates,has disorder","233211","2020-10-21","18:00:00",""
"4348733","15.7971","0.0006","14.374","0.0006","40.4208","0.0017","90","","90","","90","","9178.3","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H69 I N3 Ni P3 V -","- C42 H69 I N3 Ni P3 V -","- C336 H552 I8 N24 Ni8 P24 V8 -","8","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0755","0.0473","","0.1244","0.1093","0.1244","","","","","","1.0464","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348774","8.3751","0.0005","18.7073","0.0009","32.532","0.0017","90","","90","","90","","5097","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu4 I6 N3 O -","- C10 H17 Cu4 I6 N3 O -","- C80 H136 Cu32 I48 N24 O8 -","8","1","","Shen, Jun-Ju; Li, Xiang-Xia; Yu, Tan-Lai; Wang, Feng; Hao, Peng-Fei; Fu, Yun-Long","Ultrasensitive Photochromic Iodocuprate(I) Hybrid.","Inorganic chemistry","2016","55","17","8271","8273","10.1021/acs.inorgchem.6b01599","","","0.71073","MoKα","","0.0972","0.0716","","","0.1736","0.1893","","","","","","1.028","","","","has coordinates","233325","2020-10-21","18:00:00",""
"4348775","8.3567","0.0003","18.6751","0.0008","32.4747","0.0014","90","","90","","90","","5068.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu4 I6 N3 O -","- C10 H17 Cu4 I6 N3 O -","- C80 H136 Cu32 I48 N24 O8 -","8","1","","Shen, Jun-Ju; Li, Xiang-Xia; Yu, Tan-Lai; Wang, Feng; Hao, Peng-Fei; Fu, Yun-Long","Ultrasensitive Photochromic Iodocuprate(I) Hybrid.","Inorganic chemistry","2016","55","17","8271","8273","10.1021/acs.inorgchem.6b01599","","","0.71073","MoKα","","0.0563","0.0493","","","0.1207","0.1246","","","","","","1.071","","","","has coordinates","233325","2020-10-21","18:00:00",""
"4348854","20.097","0.003","19.113","0.003","34.639","0.006","90","","90","","90","","13305","4","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H86 Cl6 F12 N12 P2 W2 -","- C47 H86 Cl6 F12 N12 P2 W2 -","- C376 H688 Cl48 F96 N96 P16 W16 -","8","1","","Chiarella, Gina M.; Feng, Chao; Murillo, Carlos A.; Zhao, Qinliang","Exploring the Intricacies of Weak Interactions in Metal-Metal Bonds Using an Unsymmetrical Carbonyl Precursor and a Triple-Bonded W2(6+) Paddlewheel.","Inorganic chemistry","2016","55","18","9471","9481","10.1021/acs.inorgchem.6b01728","","","0.71073","MoKα","","0.0868","0.0499","","","0.1121","0.1247","","","","","","1.739","","","","has coordinates,has disorder","233425","2020-10-21","18:00:00",""
"4348952","34.967","0.002","21.6125","0.0012","41.296","0.002","90","","90","","90","","31208","3","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","Poly{[aquapentakis(mu3-5-cyanoisophtalato-kO:kO':k2O'',O''') tris(mu4-5-cyanoisophtalato-kO:kO':kO'':kO''') di(mu-formate-k2O,O':kO') decakis(dimethylformamide)hexagadolinium(III)] tris(dimethylformamide) trihydrate}","","- C113 H125 Gd6 N21 O53 -","- C104 H96 Gd6 N18 O47 -","- C832 H768 Gd48 N144 O376 -","8","1","","Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.","Inorganic chemistry","2016","55","21","11230","11248","10.1021/acs.inorgchem.6b01845","","","0.71073","MoKα","","0.1952","0.0973","","","0.2034","0.2389","","","","","","1.023","","","","has coordinates","233506","2020-10-21","18:00:00",""
"4349008","8.5275","0.0015","20.048","0.003","25.023","0.004","90","","90","","90","","4277.9","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound3a","","","- C46 H48 Dy2 N2 O14 -","- C46 H46 Dy2 N2 O14 -","- C184 H184 Dy8 N8 O56 -","4","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0985","0.0556","","","0.1141","0.1329","","","","","","1.051","","","","has coordinates","233539","2020-10-21","18:00:00",""
"4349010","8.601","0.002","20.178","0.004","25.138","0.005","90","","90","","90","","4362.7","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound3b","","","- C46 H48 Gd2 N2 O14 -","- C46 H46 Gd2 N2 O14 -","- C184 H184 Gd8 N8 O56 -","4","0.5","","Mukherjee, Soumya; Lu, Jingjing; Velmurugan, Gunasekaran; Singh, Shweta; Rajaraman, Gopalan; Tang, Jinkui; Ghosh, Sujit K.","Influence of Tuned Linker Functionality on Modulation of Magnetic Properties and Relaxation Dynamics in a Family of Six Isotypic Ln<sub>2</sub> (Ln = Dy and Gd) Complexes.","Inorganic chemistry","2016","55","21","11283","11298","10.1021/acs.inorgchem.6b01863","","","0.71073","MoKα","","0.0663","0.0397","","","0.1041","0.1238","","","","","","0.794","","","","has coordinates","233541","2020-10-21","18:00:00",""
"4349018","20.1159","0.0006","15.8862","0.0005","20.4047","0.0006","90","","90","","90","","6520.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dr Cho K1","","","- C35 H48 B2 N4 Ni -","- C35 H48 B2 N4 Ni -","- C280 H384 B16 N32 Ni8 -","8","1","","Tak, Hyeonwoo; Lee, Hyunjoo; Kang, Joongoo; Cho, Jaeheung","A high-spin nickel(ii) borohydride complex in dehalogenation","Inorganic Chemistry Frontiers","2016","3","1","157","","10.1039/C5QI00206K","","","0.71073","","","0.0573","0.0524","","","0.1251","0.1291","","","","","","1.07","","","","has coordinates","233545","2020-10-21","18:00:00",""
"4349064","18.479","0.0004","16.7584","0.0002","26.7961","0.0004","90","","90","","90","","8298.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H65 Fe I N2 -","- C44 H65 Fe I N2 -","- C352 H520 Fe8 I8 N16 -","8","1","","Reiners, Matthias; Baabe, Dirk; Harms, Kristoffer; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","N-Heterocyclic carbene adducts to [Cp′FeI]2: synthesis and molecular and electronic structure","Inorganic Chemistry Frontiers","2016","3","2","250","","10.1039/C5QI00235D","","","1.54184","CuKα","","0.0327","0.0267","","","0.0622","0.065","","","","","","1.032","","","","has coordinates","233561","2020-10-21","18:00:00",""
"4349125","28.0724","0.0002","14.00074","0.00009","44.7159","0.0003","90","","90","","90","","17574.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H60 Cl12 I6 N13 O9 Zn3 -","- C56 H35 I6 N13 O Zn3 -","- C448 H280 I48 N104 O8 Zn24 -","8","1","","Gee, William J.; Cadman, Laura K.; Amer Hamzah, Harina; Mahon, Mary F.; Raithby, Paul R.; Burrows, Andrew D.","Furnishing Amine-Functionalized Metal-Organic Frameworks with the β-Amidoketone Group by Postsynthetic Modification.","Inorganic chemistry","2016","55","21","10839","10842","10.1021/acs.inorgchem.6b01917","","x-ray","1.54184","CuKα","","0.0743","0.0595","","","0.1739","0.1889","","","","","","1.041","","","","has coordinates,has disorder","233605","2020-10-21","18:00:00",""
"4349246","16.6501","0.0008","19.7649","0.0009","19.965","0.0009","90","","90","","90","","6570.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H60 N7 P4 Sb -","- C77 H60 N7 P4 Sb -","- C308 H240 N28 P16 Sb4 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.1027","0.0495","","","0.1092","0.1364","","","","","","1.015","","","","has coordinates,has disorder","233762","2020-10-21","18:00:00",""
"4349249","16.66","0.0004","19.7295","0.0005","19.9862","0.0005","90","","90","","90","","6569.3","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H60 Bi N7 P4 -","- C77 H60 Bi N7 P4 -","- C308 H240 Bi4 N28 P16 -","4","0.5","","Arlt, Sören; Harloff, Jörg; Schulz, Axel; Stoffers, Alrik; Villinger, Alexander","Cyanido Antimonate(III) and Bismuthate(III) Anions.","Inorganic chemistry","2016","55","23","12321","12328","10.1021/acs.inorgchem.6b02174","","","0.71073","MoKα","","0.0875","0.0442","","","0.075","0.0871","","","","","","1.066","","","","has coordinates","233762","2020-10-21","18:00:00",""
"4349335","22.437","0.004","16.062","0.003","32.482","0.005","90","","90","","90","","11706","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H53 Al Mg N4 O2 -","- C24 H53 Al Mg N4 O2 -","- C384 H848 Al16 Mg16 N64 O32 -","16","2","","Schnitzler, Silvia; Spaniol, Thomas P.; Okuda, Jun","Reactivity of a Molecular Magnesium Hydride Featuring a Terminal Magnesium-Hydrogen Bond.","Inorganic chemistry","2016","55","24","12997","13006","10.1021/acs.inorgchem.6b02509","","","0.71073","MoKα","","0.1355","0.0648","","","0.1323","0.1545","","","","","","1.017","","","","has coordinates","233866","2020-10-21","18:00:00",""
"4349350","16.4575","0.0004","17.2962","0.0004","22.7986","0.0005","90","","90","","90","","6489.7","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H44 F6 Ir N2 P -","- C32 H44 F6 Ir N2 P -","- C256 H352 F48 Ir8 N16 P8 -","8","1","","Iali, Wissam; Green, Gary G. R.; Hart, Sam J.; Whitwood, Adrian C.; Duckett, Simon B.","Iridium Cyclooctene Complex That Forms a Hyperpolarization Transfer Catalyst before Converting to a Binuclear C-H Bond Activation Product Responsible for Hydrogen Isotope Exchange.","Inorganic chemistry","2016","55","22","11639","11643","10.1021/acs.inorgchem.6b02560","","x-ray","1.54184","CuKα","","0.0426","0.0293","","","0.0715","0.0783","","","","","","1.008","","","","has coordinates,has disorder","233886","2020-10-21","18:00:00",""
"4349356","17.9857","0.0014","18.2507","0.0017","28.791","0.003","90","","90","","90","","9450.7","1.5","150.03","0.1","150.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H66 Ce N2 Si6 -","- C38 H66 Ce N2 Si6 -","- C304 H528 Ce8 N16 Si48 -","8","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","x-ray","0.71073","MoKα","","0.169","0.0674","","","0.1017","0.1335","","","","","","1.001","","","","has coordinates","233893","2020-10-21","18:00:00",""
"4349401","20.5846","0.0003","14.59839","0.00018","24.2899","0.0003","90","","90","","90","","7299.16","0.17","193.15","","193.15","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C60 H62 Ag2 F6 N6 O6 P8 S2 Se4 -","- C60 H62 Ag2 F6 N6 O6 P8 S2 Se4 -","- C240 H248 Ag8 F24 N24 O24 P32 S8 Se16 -","4","0.5","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","0.71073","MoKα","","0.0376","0.0288","","","0.0698","0.0747","","","","","","1.069","","","","has coordinates,has disorder","233941","2020-10-21","18:00:00",""
"4349423","15.0462","0.0014","26.833","0.003","14.4646","0.0014","90","","90","","90","","5839.9","1","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{hydrotris(3,5-dimethylpyrazol-1-yl)borato}bis(selenophenolato)sulfidotungsten(V)","","- C27 H32 B N6 S Se2 W -","- C27 H32 B N6 S Se2 W -","- C216 H256 B8 N48 S8 Se16 W8 -","8","1","","Sproules, Stephen; Eagle, Aston A.; George, Graham N.; White, Jonathan M.; Young, Charles G.","Mononuclear Sulfido-Tungsten(V) Complexes: Completing the Tp*MEXY (M = Mo, W; E = O, S) Series.","Inorganic chemistry","2017","56","9","5189","5202","10.1021/acs.inorgchem.7b00331","","","0.71073","MoKα","","0.1185","0.0643","","","0.111","0.1271","","","","","","1.027","","","","has coordinates","233978","2020-10-21","18:00:00",""
"4349496","8.9764","0.0019","18.234","0.004","30.861","0.007","90","","90","","90","","5051.2","1.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Al2 N4 -","- C28 H32 Al2 N4 -","- C224 H256 Al16 N32 -","8","1","","Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua","Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization","Inorganic Chemistry Frontiers","2016","3","10","1317","","10.1039/C6QI00177G","","","0.71075","MoKα","","0.0579","0.057","","","0.1324","0.1331","","","","","","1.183","","","","has coordinates","234820","2020-10-21","18:00:00",""
"4349564","30.8754","0.0009","15.5743","0.0007","38.3804","0.0014","90","","90","","90","","18455.7","1.2","149.9","0.2","149.9","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C166 H122 Cl12 N20 O12 Zn2 -","- C166 H122 Cl12 N20 O12 Zn2 -","- C664 H488 Cl48 N80 O48 Zn8 -","4","0.5","","Wang, Kang; Huang, Chunhua; Pan, Houhe; Kobayashi, Nagao; Jiang, Jianzhuang","A post-cyclotetramerization strategy towards novel binuclear phthalocyanine dimers","Inorganic Chemistry Frontiers","2017","4","1","110","","10.1039/C6QI00408C","","","1.54184","CuKα","","0.1574","0.1244","","","0.317","0.3465","","","","","","1.144","","","","has coordinates","234887","2020-10-21","18:00:00",""
"4349565","13.6828","0.0004","19.9361","0.0006","25.5286","0.0008","90","","90","","90","","6963.7","0.4","180","0.1","180","0.1","","","","","","","no","7","P b c a","-P 2ac 2ab","61","2a","2a","","- C30 H38 B2 F8 Fe N6 O4 -","- C30 H38 B2 F8 Fe N6 O4 -","- C240 H304 B16 F64 Fe8 N48 O32 -","8","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0872","0.0531","","","0.1254","0.1486","","","","","","1.028","","","","has coordinates,has disorder","234891","2020-10-21","18:00:00",""
"4349566","16.918","0.003","18.982","0.004","23.007","0.005","90","","90","","90","","7388","3","153.15","","153.15","","","","","","","","no","7","P b c a","-P 2ac 2ab","61","2b","2b","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Zhu, Yuan-Yuan; Li, Hong-Qing; Ding, Zhong-Yu; Lü, Xiao-Jin; Zhao, Liang; Meng, Yin-Shan; Liu, Tao; Gao, Song","Spin transitions in a series of [Fe(pybox)2]2+ complexes modulated by ligand structures, counter anions, and solvents","Inorganic Chemistry Frontiers","2016","3","12","1624","","10.1039/C6QI00417B","","","0.71073","MoKα","","0.0693","0.0663","","","0.1352","0.1365","","","","","","1.264","","","","has coordinates","234891","2020-10-21","18:00:00",""
"4349597","12.8619","0.0004","15.9903","0.0005","18.1591","0.0006","90","","90","","90","","3734.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 Cl N4 O7 Pb -","- C15 H15 Cl N4 O7 Pb -","- C120 H120 Cl8 N32 O56 Pb8 -","8","1","","Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel","Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings","Inorganic Chemistry Frontiers","2017","4","1","171","","10.1039/C6QI00477F","","","0.71073","MoKα","","0.0604","0.0404","","","0.0936","0.0963","","","","","","1.109","","","","has coordinates","234906","2020-10-21","18:00:00",""
"4349614","6.992","0.0004","18.0217","0.0014","22.5014","0.0016","90","","90","","90","","2835.4","0.3","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 O4 -","- C18 H11 N3 O4 -","- C144 H88 N24 O32 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","1.54178","CuKα","","0.1173","0.0825","","","0.2255","0.2698","","","","","","1.04","","","","has coordinates","234919","2020-10-21","18:00:00",""
"4349619","14.4265","0.0006","11.5416","0.0005","17.5201","0.0008","90","","90","","90","","2917.2","0.2","100","2","100.03","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 O4 -","- C18 H11 N3 O4 -","- C144 H88 N24 O32 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur","Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours","Inorganic Chemistry Frontiers","2017","4","2","296","","10.1039/C6QI00498A","","","0.71073","MoKα","","0.098","0.0588","","","0.1346","0.1506","","","","","","1.058","","","","has coordinates,has disorder","234919","2020-10-21","18:00:00",""
"4349713","9.253","0.0019","7.874","0.0016","25.531","0.005","90","","90","","90","","1860.1","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Cd(Etmal)(H2O)]n","","","- C14 H24 Cd2 O10 -","- C14 H20 Cd2 O10 -","- C56 H80 Cd8 O40 -","4","0.5","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","","0.738","","","0.0409","0.0401","","","0.1091","0.11","","","","","","1.088","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349715","9.3966","0.0001","7.8853","0.0001","29.851","0.0004","90","","90","","90","","2211.81","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cd O5 -","- C10 H10 Cd O5 -","- C80 H80 Cd8 O40 -","8","1","","Déniz, Mariadel; Pasán, Jorge; Rasines, Beatriz; Lorenzo-Luis, Pablo; Lahoz, Fernando; Vera-Gonzales, Corina; Julve, Miguel; Ruiz-Pérez, Catalina","Cadmium(ii) coordination polymers based on substituted malonic acid: synthesis, characterization and photoluminescence properties","Inorganic Chemistry Frontiers","2017","4","8","1384","","10.1039/C7QI00212B","","x-ray","0.71073","MoKα","","0.0426","0.0363","","","0.0616","0.0633","","","","","","1.393","","","","has coordinates","235762","2020-10-21","18:00:00",""
"4349775","13.8991","0.0004","19.9517","0.0006","25.3128","0.0008","90","","90","","90","","7019.5","0.4","180","0.1","180","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","Co(L2)2(ClO4)2","2","","- C30 H38 Cl2 Co N6 O12 -","- C30 H38 Cl2 Co N6 O12 -","- C240 H304 Cl16 Co8 N48 O96 -","8","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0868","0.0672","","","0.1695","0.1865","","","","","","1.022","","","","has coordinates,has disorder","235821","2020-10-21","18:00:00",""
"4349777","16.987","0.003","19.242","0.004","22.838","0.005","90","","90","","90","","7465","3","153.15","","153.15","","","","","","","","no","6","P b c a","-P 2ac 2ab","61","Co(L2)2(ClO4)2(MeCN)","3","","- C32 H41 Cl2 Co N7 O12 -","- C32 H41 Cl2 Co N7 O12 -","- C256 H328 Cl16 Co8 N56 O96 -","8","1","","Ding, Zhong-Yu; Meng, Yin-Shan; Xiao, Yi; Zhang, Yi-Quan; Zhu, Yuan-Yuan; Gao, Song","Probing the influence of molecular symmetry on the magnetic anisotropy of octahedral cobalt(ii) complexes","Inorganic Chemistry Frontiers","2017","4","11","1909","","10.1039/C7QI00547D","","","0.71073","MoKα","","0.0861","0.0809","","","0.1405","0.1423","","","","","","1.32","","","","has coordinates","235821","2020-10-21","18:00:00",""
"4349780","14.488","0.016","10.021","0.011","16.448","0.018","90","","90","","90","","2388","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs O12 P3 Zn4 -","- Cs O12 P3 Zn4 -","- Cs8 O96 P24 Zn32 -","8","1","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.0664","0.0394","","","0.0825","0.095","","","","","","1.03","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349781","14","0.03","9.827","0.018","16.04","0.03","90","","90","","90","","2207","7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- O12 P3 Rb Zn4 -","- O12 P3 Rb Zn4 -","- O96 P24 Rb8 Zn32 -","8","1","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.0791","0.0494","","","0.1101","0.1268","","","","","","1.07","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349783","8.0423","0.0004","10.5269","0.0004","32.6069","0.0014","90","","90","","90","","2760.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N5 O3 Zn -","- C12 H13 N5 O3 Zn -","- C96 H104 N40 O24 Zn8 -","8","1","","Zhang, Xiao; Luo, Xuan; Zhang, Nanxi; Wu, Jie; Huang, Yong-Qing","A highly selective and sensitive Zn(ii) coordination polymer luminescent sensor for Al3+and NACs in the aqueous phase","Inorganic Chemistry Frontiers","2017","4","11","1888","","10.1039/C7QI00549K","","x-ray","0.71073","MoKα","","0.0751","0.0428","","","0.0575","0.0678","","","","","","0.951","","","","has coordinates","235826","2020-10-21","18:00:00",""
"4349811","22.398","0.0012","30.4685","0.001","26.8204","0.0013","90","","90","","90","","18303.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H75 Ca4 N3 O27 -","- C78 H75 Ca4 N3 O27 -","- C624 H600 Ca32 N24 O216 -","8","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","1.54184","CuKα","","0.1532","0.0952","","","0.2368","0.2932","","","","","","0.897","","","","has coordinates,has disorder","235855","2020-10-21","18:00:00",""
"4349812","12.5932","0.0002","18.4157","0.0004","33.2641","0.0006","90","","90","","90","","7714.4","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H42 Mg2 N2 O15 -","- C41 H42 Mg2 N2 O15 -","- C328 H336 Mg16 N16 O120 -","8","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","1.54184","CuKα","","0.0663","0.0568","","","0.1509","0.1603","","","","","","1.045","","","","has coordinates","235855","2020-10-21","18:00:00",""
"4349909","12.0944","0.0006","12.6583","0.0006","23.3484","0.0011","90","","90","","90","","3574.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C80 H192 Cl32 Mn8 N16 -","8","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","High quantum yield and unusual photoluminescence behaviour in tetrahedral manganese(ii) based on hybrid compounds","Inorganic Chemistry Frontiers","2018","5","10","2615","","10.1039/C8QI00793D","","","0.71073","MoKα","","0.0772","0.0654","","","0.177","0.1853","","","","","","1.004","","","","has coordinates","236936","2020-10-21","18:00:00",""
"4349914","15.6458","0.0013","19.5934","0.0017","23.431","0.002","90","","90","","90","","7182.9","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H39 F6 Ir N7 P -","- C36 H39 F6 Ir N7 P -","- C288 H312 F48 Ir8 N56 P8 -","8","1","","Tian, Zhenzhen; Yang, Yuliang; Guo, Lihua; Zhong, Genshen; Li, Juanjuan; Liu, Zhe","Dual-functional cyclometalated iridium imine NHC complexes: highly potent anticancer and antimetastatic agents","Inorganic Chemistry Frontiers","2018","5","12","3106","","10.1039/C8QI00920A","","","0.71073","MoKα","","0.0739","0.0329","","","0.0628","0.0726","","","","","","1.098","","","","has coordinates,has disorder","236941","2020-10-21","18:00:00",""
"4349969","16.1634","0.0004","15.8968","0.0003","26.1094","0.0006","90","","90","","90","","6708.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(NNN-Et-pincer)-OH] (Et4N)","","","- C35 H50 Cu N4 O3 -","- C35 H50 Cu N4 O3 -","- C280 H400 Cu8 N32 O24 -","8","1","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.082","0.0774","","","0.1746","0.1767","","","","","","1.155","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4349970","15.6043","0.0003","12.4174","0.0003","16.1889","0.0003","90","","90","","90","","3136.84","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CN(Ph)CC(Ph)-OH...O-C(Ph)C(Ph)CN](Et4N)","","","- C38 H41 N3 O2 -","- C38 H41 N3 O2 -","- C152 H164 N12 O8 -","4","0.5","","Zhang, Xiaofeng; Zhang, Zilong; Xiang, Shiqun; Zhu, Yingzu; Chen, Changneng; Huang, Deguang","Base induced C‒CN bond cleavage at room temperature: a convenient method for the activation of acetonitrile","Inorganic Chemistry Frontiers","2019","6","5","1135","","10.1039/C8QI01258J","","","1.54184","CuKα","","0.0473","0.0411","","","0.1098","0.1146","","","","","","1.064","","","","has coordinates,has disorder","236988","2020-10-21","18:00:00",""
"4350068","17.3539","0.0003","8.80152","0.00017","19.8411","0.0003","90","","90","","90","","3030.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(Pz-COO)(Py)2]2 2H2O","[Cu(Pz-COO)(Py)2]2 2H2O","","- C28 H28 Cu2 N8 O6 -","- C28 H28 Cu2 N8 O6 -","- C112 H112 Cu8 N32 O24 -","4","0.5","","Xiang, Shiqun; Zhang, Xiaofeng; Chen, Hui; Li, Yinghua; Fan, Weibin; Huang, Deguang","Copper(ii) facilitated decarboxylation for the construction of pyridyl‒pyrazole skeletons","Inorganic Chemistry Frontiers","2019","6","9","2359","","10.1039/C9QI00599D","","","1.54184","CuKα","","0.0394","0.0367","","","0.1039","0.1063","","","","","","1.041","","","","has coordinates","237974","2020-10-21","18:00:00",""
"4350081","23.688","0.003","17.7123","0.0017","33.552","0.003","90","","90","","90","","14077","3","128","3","128","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 Co4 Dy8 N52 O56 -","- C84 H70 Co4 Dy8 N52 O56 -","- C336 H280 Co16 Dy32 N208 O224 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1677","0.0979","","","0.1907","0.2322","","","","","","1.086","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350082","24.1637","0.0009","17.1973","0.0009","33.583","0.0012","90","","90","","90","","13955.4","1","128","3","128","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H66 Co4 N52 O56 Tm8 -","- C82 H66 Co4 N52 O56 Tm8 -","- C328 H264 Co16 N208 O224 Tm32 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1213","0.085","","","0.1989","0.223","","","","","","1.015","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350083","24.0051","0.0009","17.292","0.0006","33.5961","0.0008","90","","90","","90","","13945.6","0.8","128","3","128","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 Co4 Ho8 N52 O56 -","- C84 H70 Co4 Ho8 N52 O56 -","- C336 H280 Co16 Ho32 N208 O224 -","4","0.5","","Zhang, Hong-Gang; Du, Yu-Chang; Yang, Hua; Zhuang, Man-Yun; Li, Da-Cheng; Dou, Jian-Min","A new family of {Co4Ln8} metallacrowns with a butterfly-shaped structure","Inorganic Chemistry Frontiers","2019","6","7","1904","","10.1039/C9QI00661C","","","1.54184","CuKα","","0.1243","0.0787","","","0.199","0.2185","","","","","","1.084","","","","has coordinates","237978","2020-10-21","18:00:00",""
"4350092","7.975","0.0003","22.7119","0.0011","32.7398","0.0014","90","","90","","90","","5930.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H33 Cl O6 Os -","- C31 H33 Cl O6 Os -","- C248 H264 Cl8 O48 Os8 -","8","1","","Pettinari, Riccardo; Marchetti, Fabio; Di Nicola, Corrado; Pettinari, Claudio; Cuccioloni, Massimiliano; Bonfili, Laura; Eleuteri, Anna Maria; Therrien, Bruno; Batchelor, Lucinda K.; Dyson, Paul J.","Novel osmium(ii)‒cymene complexes containing curcumin and bisdemethoxycurcumin ligands","Inorganic Chemistry Frontiers","2019","6","9","2448","","10.1039/C9QI00843H","","","0.71073","MoKα","","0.1779","0.0937","","","0.215","0.2565","","","","","","1.029","","","","has coordinates,has disorder","237986","2020-10-21","18:00:00",""
"4350129","18.964","0.005","14.599","0.005","32.075","0.005","90","","90","","90","","8880","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cl4 N9 O6 P3 Zn2 -","- C30 H24 Cl4 N9 O6 P3 Zn2 -","- C240 H192 Cl32 N72 O48 P24 Zn16 -","8","1","","Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Azhakar, Ramachandran","Di- and trinuclear complexes derived from hexakis(2-pyridyloxy)cyclotriphosphazene. Unusual P-O bond cleavage in the formation of [{(L'CuCl)2(Co(NO3)}Cl] (L' = N3P3(OC5H4N)5(O)).","Inorganic chemistry","2006","45","9","3510","3518","10.1021/ic0517467","","","0.71069","MoKα","","0.1696","0.084","","","0.1741","0.2056","","","","","","0.966","","","","has coordinates","239752","2020-10-21","18:00:00",""
"4350257","12.6712","0.0005","18.2899","0.0004","26.8276","0.0009","90","","90","","90","","6217.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H34 B Cl3 Mn N6 O7 -","- C25 H34 B Cl3 Mn N6 O7 -","- C200 H272 B8 Cl24 Mn8 N48 O56 -","8","1","","Hsieh, Wen-Yuan; Liu, Shuang","Novel biscapped and monocapped tris(dioxime) Mn(II) complexes: x-ray crystal structure of the first cationic tris(dioxime) Mn(II) complex [Mn(CDOH)3BPh]OH (CDOH2= 1,2-cyclohexanedione dioxime).","Inorganic chemistry","2006","45","13","5034","5043","10.1021/ic060216n","","","0.71073","MO-Kα","","0.07","0.048","","","0.123","0.136","","","","","","1.039","","","","has coordinates","239815","2020-10-21","18:00:00",""
"4350318","24.3293","0.0013","11.6824","0.0006","41.935","0.002","90","","90","","90","","11919","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H71.75 Cr2 N34 Ni2 O5.88 -","- C36 H52 Cr2 N34 Ni2 O5.884 -","- C288 H416 Cr16 N272 Ni16 O47.072 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.0891","0.055","","","0.1554","0.1675","","","","","","1.091","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350319","24.3293","0.0013","11.6824","0.0006","41.935","0.002","90","","90","","90","","11919","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H58 Cr2 K2 N32 Ni2 O7.5 -","- C36 H52 Cr2 K2 N32 Ni2 O7.42 -","- C288 H416 Cr16 K16 N256 Ni16 O59.36 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.1027","0.0651","","","0.1654","0.1821","","","","","","1.097","","","","has coordinates,has disorder","239836","2020-10-21","18:00:00",""
"4350320","24.41","0.002","11.5284","0.001","41.176","0.003","90","","90","","90","","11587.3","1.6","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H60 Fe2 K2 N32 Ni2 O8 -","- C36 H44 Fe2 K2 N32 Ni2 O8 -","- C288 H352 Fe16 K16 N256 Ni16 O64 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","","0.71073","MoKα","","0.13","0.0554","","","0.1037","0.1209","","","","","","0.77","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350321","24.2333","0.0013","11.6957","0.0006","41.013","0.002","90","","90","","90","","11624.1","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Fe2 N32 Ni2 O7 Rb2 -","- C36 H52 Fe2 N32 Ni2 O7 Rb2 -","- C288 H416 Fe16 N256 Ni16 O56 Rb16 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.084","0.0561","","","0.1419","0.1548","","","","","","1.078","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350322","24.4696","0.0011","11.7515","0.0006","41.0003","0.0019","90","","90","","90","","11789.8","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Cs2 Fe2 N32 Ni2 O7 -","- C36 H52 Cs2 Fe2 N32 Ni2 O7 -","- C288 H416 Cs16 Fe16 N256 Ni16 O56 -","8","1","","Atanasov, Mihail; Comba, Peter; Förster, Sebastian; Linti, Gerald; Malcherek, Thomas; Miletich, Ronald; Prikhod'ko, Alexander I.; Wadepohl, Hubert","Tuning of inter- versus intrachain magnetic interactions in cyano-bridged Ni(II)/M(III) (M = Cr, Fe, Co) chain complexes.","Inorganic chemistry","2006","45","19","7722","7735","10.1021/ic060453q","","x-ray","0.71073","MoKα","","0.1277","0.074","","","0.1761","0.2034","","","","","","1.078","","","","has coordinates","239836","2020-10-21","18:00:00",""
"4350332","8.547","0.0003","21.894","0.0011","26.3773","0.001","90","","90","","90","","4935.9","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","""7,11-(Etane-1,2-diyldioxydi-o-phenylene-dimethylene)-4,4,6,6- tetrachloro-2(lambda)**5, 4(lambda)**5,6(lambda)**5-triphosphaza(6-P**V)- 1,3,5,7,11-pentaaza-spiro[5.5]dodeca-1,3,5-triene "" by ""Selen Bilge, Þemsay Demiriz, Aytuð Okumuþ, Zeynel Kýlýç, Barýþ Tercan, Tuncer Hökelek, Orhan Büyükgüngör""","","- C19 H22 Cl4 N5 O2 P3 -","- C19 H22 Cl4 N5 O2 P3 -","- C152 H176 Cl32 N40 O16 P24 -","8","1","","Bilge, Selen; Demiriz, Semsay; Okumus, Aytug; Kiliç, Zeynel; Tercan, Baris; Hökelek, Tuncer; Büyükgüngör, Orhan","Phosphorus-nitrogen compounds. Part 13. Syntheses, crystal structures, spectroscopic, stereogenic, and anisochronic properties of novel spiro-ansa-spiro-, spiro-bino-spiro-, and spiro-crypta phosphazene derivatives.","Inorganic chemistry","2006","45","21","8755","8767","10.1021/ic060630n","","","0.71073","MoKα","","0.0406","0.0281","","","0.0653","0.0679","","","","","","0.937","","","","has coordinates","239841","2020-10-21","18:00:00",""
"4350356","10.0066","0.0007","10.5736","0.0008","22.9813","0.0017","90","","90","","90","","2431.6","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Methylcymantrenyldibromoborane","","","- C9 H6 B Br2 Mn O3 -","- C9 H6 B Br2 Mn O3 -","- C72 H48 B8 Br16 Mn8 O24 -","8","1","","Braunschweig, Holger; Kraft, Mario; Schwarz, Silvia; Seeler, Fabian; Stellwag, Sascha","Preparation and structural characterization of transition-metal complexes featuring the cymantrenyl(bromo)boryl ligand.","Inorganic chemistry","2006","45","14","5275","5277","10.1021/ic0607080","","","0.71073","MoKα","","0.0389","0.029","","","0.0626","0.0659","","","","","","1.062","","","","has coordinates","239854","2020-10-21","18:00:00",""
"4350357","8.5509","0.001","15.5135","0.0019","32.237","0.004","90","","90","","90","","4276.4","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(bromomethylcymantrenyl)boryl (pentamethylcyclopentadienyldicarbonyl)iron","","","- C20 H19 B Br Fe Mn O5 -","- C20 H19 B Br Fe Mn O5 -","- C160 H152 B8 Br8 Fe8 Mn8 O40 -","8","1","","Braunschweig, Holger; Kraft, Mario; Schwarz, Silvia; Seeler, Fabian; Stellwag, Sascha","Preparation and structural characterization of transition-metal complexes featuring the cymantrenyl(bromo)boryl ligand.","Inorganic chemistry","2006","45","14","5275","5277","10.1021/ic0607080","","","0.71073","MoKα","","0.0511","0.043","","","0.1175","0.1227","","","","","","1.082","","","","has coordinates","239854","2020-10-21","18:00:00",""
"4350358","13.579","0.014","21.12","0.02","28.62","0.03","90","","90","","90","","8208","14","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[2.F][S(NMe2)3]","","","- C46 H54 B2 F N3 O S -","- C46 H54 B2 F N3 O S -","- C368 H432 B16 F8 N24 O8 S8 -","8","1","","Melaïmi, Mohand; Solé, Stéphane; Chiu, Ching-Wen; Wang, Huadong; Gabbaï, François P","Structural and electrochemical investigations of the high fluoride affinity of sterically hindered 1,8-bis(boryl)naphthalenes.","Inorganic chemistry","2006","45","20","8136","8143","10.1021/ic060709s","","","0.71073","MoKα","","0.1384","0.0753","","","0.1528","0.1701","","","","","","1.077","","","","has coordinates,has disorder","239855","2020-10-21","18:00:00",""
"4350517","10.8082","0.0005","17.5942","0.001","33.6626","0.0019","90","","90","","90","","6401.3","0.6","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis-(ethylmethylamido)-bis-(N,N-diisopropyl-2-ethylmethylamido-guanidinato) hafnium(IV)","","- C26 H60 Hf N8 -","- C26 H60 Hf N8 -","- C208 H480 Hf8 N64 -","8","1","","Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana","Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.","Inorganic chemistry","2006","45","26","11008","11018","10.1021/ic061056i","","","0.71073","MoKα","","0.1705","0.0998","","","0.1568","0.1802","","","","","","1.261","","","","has coordinates","239914","2020-10-21","18:00:00",""
"4350548","24.21","0.004","21.279","0.005","27.345","0.006","90","","90","","90","","14087","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H72 F6 Fe2 Ni P5 -","- C82 H56 F6 Fe2 Ni P5 -","- C656 H448 F48 Fe16 Ni8 P40 -","8","1","","Pilloni, Giuseppe; Toffoletti, Antonio; Bandoli, Giuliano; Longato, Bruno","Homoleptic complexes of cobalt(0) and nickel(0,I) with 1,1'-bis(diphenylphosphino)ferrocene (dppf): synthesis and characterization.","Inorganic chemistry","2006","45","25","10321","10328","10.1021/ic061185z","","","0.71073","MoKα","","0.1395","0.0787","","","0.1454","0.1868","","","","","","1.135","","","","has coordinates","239938","2020-10-21","18:00:00",""
"4500016","6.8585","0.0002","13.2958","0.0004","18.505","0.0005","90","","90","","90","","1687.46","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0338","0.0307","","","0.0808","0.0835","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500023","7.0142","0.0002","18.5089","0.0004","18.5309","0.0004","90","","90","","90","","2405.78","0.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0322","0.0314","","","0.0845","0.0855","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500066","10.0538","0.0005","25.6951","0.0012","34.3888","0.0017","90","","90","","90","","8883.8","0.7","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C61 H44 O4 -","- C61 H44 O4 -","- C488 H352 O32 -","8","1","","Dominic Laliberté; Thierry Maris; Patrick Eddy Ryan; James D. Wuest","Weak Interactions in the Crystal Structures of Tetraacetylenes Derived from Pentaerythrityl Tetraphenyl Ether","Cryst. Growth & Design","2006","6","","1335","1340","10.1021/cg050568p","","","1.54178","CuKα","","0.0822","0.0511","","","0.1181","0.1269","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500187","5.7526","0.0011","15.465","0.003","30.087","0.006","90","","90","","90","","2676.7","0.9","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C96 H88 N24 O32 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0543","","","","0.0692","","","","","","1.149","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500213","10.3373","0.0007","7.6643","0.0005","26.9445","0.0019","90","","90","","90","","2134.8","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C104 H96 Fe8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.026","0.0221","","","0.056","0.0588","","","","","","1.062","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500228","12.525","0.005","8.55","0.003","26.157","0.01","90","","90","","90","","2801.1","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O3 Pd S -","- C13 H11 N3 O3 Pd S -","- C104 H88 N24 O24 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.1017","0.0929","","","0.1566","0.1602","","","","","","1.354","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500280","9.7665","0.0002","19.3844","0.0009","20.3345","0.0009","90","","90","","90","","3849.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O9 U -","- C16 H21 N O9 U -","- C128 H168 N8 O72 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0505","0.0416","","","0.0933","0.0961","","","","","","1.135","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500351","14.799","0.0003","15.7385","0.0003","19.0145","0.0005","90","","90","","90","","4428.74","0.17","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Dy2 N3 O16 -","- C18 H17 Dy2 N3 O16 -","- C144 H136 Dy16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0572","0.0277","","","0.0418","0.0439","","","","","","0.938","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500352","14.8594","0.0002","15.8477","0.0002","19.0553","0.0003","90","","90","","90","","4487.28","0.11","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Gd2 N3 O16 -","- C18 H17 Gd2 N3 O16 -","- C144 H136 Gd16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0292","0.0198","","","0.0444","0.0457","","","","","","0.95","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500353","14.8267","0.0007","15.7817","0.0003","19.0579","0.0007","90","","90","","90","","4459.4","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O16 Tb2 -","- C18 H17 N3 O16 Tb2 -","- C144 H136 N24 O128 Tb16 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0328","0.0222","","","0.0477","0.0492","","","","","","0.921","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500354","14.8656","0.0016","15.9425","0.0018","19.175","0.002","90","","90","","90","","4544.4","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Eu2 N3 O16 -","- C18 H17 Eu2 N3 O16 -","- C144 H136 Eu16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0817","0.0404","","","0.0682","0.074","","","","","","0.969","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500355","14.7597","0.0005","15.7023","0.0006","18.9885","0.0009","90","","90","","90","","4400.8","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Ho2 N3 O16 -","- C18 H17 Ho2 N3 O16 -","- C144 H136 Ho16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0301","0.0192","","","0.034","0.0346","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500406","9.328","0.001","15.087","0.001","33.966","0.003","90","","90","","90","","4780.1","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag I3 N4 S4 -","- C12 H20 Ag I3 N4 S4 -","- C96 H160 Ag8 I24 N32 S32 -","8","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0405","0.0295","","","0.0668","0.0724","","","","","","1.022","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500434","9.371","0.0009","7.7868","0.0008","19.53","0.002","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500467","13.144","0.003","13.454","0.003","31.573","0.006","90","","90","","90","","5583","2","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Temazepam","7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C256 H208 Cl16 N32 O32 -","16","2","","Jetti, Ram K. R.; Bhogala, Balakrishna R.; Gorantla, Asha R.; Karusula, Nageswara R.; Datta, Debashish","Structural and Thermodynamic Features of Three Stable Crystal Forms of Temazepam: A Sedative Drug","Crystal Growth & Design","2011","11","6","2039","","10.1021/cg1015675","","","0.71073","MoKα","","0.056","0.0452","","","0.0993","0.1054","","","","","","1.117","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500513","7.3847","0.0017","15.339","0.004","23.11","0.005","90","","90","","90","","2617.8","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Co O5 -","- C14 H10 Co O5 -","- C112 H80 Co8 O40 -","8","1","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.0641","0.0476","","","0.1351","0.1513","","","","","","1.03","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500522","10.6924","0.0002","11.6169","0.0002","22.441","0.0003","90","","90","","90","","2787.45","0.08","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hfsu.H2O","tetrafluorosuccinic acid monohydrate","","- C4 H4 F4 O5 -","- C4 H4 F4 O5 -","- C64 H64 F64 O80 -","16","2","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.0653","0.0381","","","0.1032","0.1243","","","","","","1.13","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500533","14.896","0.003","21.236","0.003","30.962","0.005","90","","90","","90","","9794","3","296","2","296","2","500000","","","","","","","5","P b c a","-P 2ac 2ab","61","dabcoHI hydarte","1,4-diazabicyclo[2.2.2]octanium iodide hydrate","","- C30 H75 I5 N10 O5 -","- C30 H73 I5 N10 O5 -","- C240 H584 I40 N80 O40 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Hydration of 1,4-Diazabicyclo[2.2.2]octane Hydroiodide (dabcoHI)","Crystal Growth & Design","2011","11","6","2250","","10.1021/cg101653x","","","0.71073","MoKα","","0.2167","0.1822","","","0.3019","0.3151","","","","","","1.421","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500552","11.207","0.002","8.1064","0.0016","30.386","0.006","90","","90","","90","","2760.5","0.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Br2 N2 Se -","- C11 H12 Br2 N2 Se -","- C88 H96 Br16 N16 Se8 -","8","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0841","0.0417","","","0.1247","0.1856","","","","","","0.558","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500554","7.0137","0.0018","11.257","0.003","35.392","0.009","90","","90","","90","","2794.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Br2 N4 Se2 -","- C8 H12 Br2 N4 Se2 -","- C64 H96 Br16 N32 Se16 -","8","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0947","0.0531","","","0.1542","0.1989","","","","","","0.688","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500565","22.254","0.005","11.464","0.005","23.344","0.005","90","0.005","90","0.005","90","0.005","5956","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Cu4 N8 O40 Si W12 -","- C24 H32 Cu4 N8 O40 Si W12 -","- C96 H128 Cu16 N32 O160 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1174","0.0694","","","0.1658","0.1838","","","","","","0.997","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500613","15.6457","0.0003","11.2144","0.0002","21.0605","0.0004","90","","90","","90","","3695.22","0.12","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0535","0.0334","","","0.074","0.0774","","","","","","0.917","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500639","13.9277","0.0003","11.22","0.0003","20.7001","0.0007","90","","90","","90","","3234.78","0.16","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C144 H184 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0546","0.0325","","","0.0692","0.0734","","","","","","0.924","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500707","16.08","0.006","15.054","0.006","19.34","0.007","90","","90","","90","","4682","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C208 H160 N16 O48 Zn8 -","8","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0972","0.0931","","","0.182","0.184","","","","","","1.388","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500708","16.176","0.012","14.453","0.011","19.137","0.015","90","","90","","90","","4474","6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N2 O6 Zn -","- C24 H20 N2 O6 Zn -","- C192 H160 N16 O48 Zn8 -","8","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0859","0.0727","","","0.222","0.2363","","","","","","1.137","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500822","9.684","0.004","15.716","0.006","25.31","0.009","90","","90","","90","","3852","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C144 H160 N48 O24 S8 -","8","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0862","0.0475","","","0.1094","0.142","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500958","13.787","0.003","5.9735","0.0011","16.925","0.003","90","","90","","90","","1393.9","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0446","0.0379","","","0.0849","0.0894","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501072","7.7574","0.0003","14.4873","0.0004","24.7349","0.0007","90","","90","","90","","2779.8","0.15","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-carbamoylpyridinium picrate","","- C12 H9 N5 O8 -","- C12 H9 N5 O8 -","- C96 H72 N40 O64 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0798","0.0469","","","0.1287","0.1397","","","","","","1.032","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501190","14.2565","0.0016","10.7542","0.0015","14.769","0.003","90","","90","","90","","2264.3","0.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.1081","0.0497","","","0.1026","0.1144","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501191","9.0787","0.0011","14.2261","0.0017","17.154","0.002","90","","90","","90","","2215.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0546","0.0521","","","0.1475","0.1488","","","","","","1.185","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501192","9.25","0.004","14.207","0.004","17.509","0.01","90","","90","","90","","2300.9","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.1578","0.0646","","","0.135","0.1537","","","","","","0.929","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501207","7.1691","0.0005","13.5819","0.001","30.767","0.002","90","","90","","90","","2995.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.0731","0.0518","","","0.1243","0.1383","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501278","25.698","0.0004","19.7165","0.0004","30.1786","0.0006","90","","90","","90","","15290.7","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C73 H91 N16 O21.5 -","- C73 H80 N16 O21.5 -","- C584 H640 N128 O172 -","8","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","1.54178","CuKα","","0.0746","0.063","","","0.1801","0.1898","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501365","11.0822","0.0004","20.8637","0.0009","22.935","0.001","90","","90","","90","","5302.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N7 Ni O6 S2 -","- C24 H21 N7 Ni O6 S2 -","- C192 H168 N56 Ni8 O48 S16 -","8","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1223","0.0853","","","0.2323","0.2525","","","","","","1.019","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501397","25.8301","0.0013","15.4939","0.0004","5.9465","0.0002","90","","90","","90","","2379.84","0.16","","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","naproxen","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.","Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form","Crystal Growth & Design","2011","11","12","5659","","10.1021/cg201203u","powder diffraction","","","","","","","","","","","","","2.344","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501494","15.9995","0.0018","14.8698","0.0016","16.0733","0.0018","90","","90","","90","","3824","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N7 O6 Zn -","- C19 H16 N7 O6 Zn -","- C152 H128 N56 O48 Zn8 -","8","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Chen, Man-Sheng; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Interpenetrating and Self-Penetrating Zinc(II) Complexes with Rigid Tripodal Imidazole-Containing Ligand and Benzenedicarboxylate","Crystal Growth & Design","2010","10","4","1911","","10.1021/cg100020t","","","0.71073","MoKα","","0.049","0.0435","","","0.1088","0.1119","","","","","","1.053","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501527","18.166","0.002","18.211","0.002","21.2","0.003","90","","90","","90","","7013.4","1.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H48 Cu6 F12 N18 O14 S4 -","- C52 H48 Cu6 F12 N18 O14 S4 -","- C208 H192 Cu24 F48 N72 O56 S16 -","4","0.5","","Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.","Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice","Crystal Growth & Design","2010","10","6","2606","","10.1021/cg100060p","","","0.71073","MoKα","","0.0556","0.0356","","","0.0892","0.0988","","","","","","1.085","","","","has coordinates","179546","2020-10-21","18:00:00",""
"4501570","11.73","0.03","16.68","0.03","19.55","0.07","90","","90","","90","","3825","18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cobalt-bipyridylpropane-terephthalate","","","- C21 H18 Co N2 O4 -","- C21 H18 Co N2 O4 -","- C168 H144 Co8 N16 O32 -","8","1","","Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.","Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates","Crystal Growth & Design","2010","10","5","2041","","10.1021/cg100121n","","","0.71073","MoKα","","0.0945","0.0661","","","0.141","0.1566","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501702","7.3801","0.0015","9.5154","0.0019","6.9029","0.0014","90","","90","","90","","484.75","0.17","295","2","295","2","","","150000","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","","Katrusiak, Andrzej; Podsiadło, Marcin; Budzianowski, Armand","Association CH···π and No van der Waals Contacts at the Lowest Limits of Crystalline Benzene I and II Stability Regions†","Crystal Growth & Design","2010","10","8","3461","","10.1021/cg1002594","","","0.71073","MoKα","","0.1352","0.0852","","","0.2175","0.2547","","","","","","1.214","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501720","19.0164","0.0018","8.3989","0.0008","19.303","0.0018","90","","90","","90","","3083","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H14 B2 Cl2 N2 O5 Pt -","- C10 H14 B2 Cl2 N2 O5 Pt -","- C80 H112 B16 Cl16 N16 O40 Pt8 -","8","1","","Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario","Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons","Crystal Growth & Design","2010","10","7","3182","","10.1021/cg100325c","","","0.71073","MoKα","","0.0442","0.0423","","","0.0789","0.0798","","","","","","1.314","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501765","8.8381","0.0009","11.7662","0.0012","23.36","0.002","90","","90","","90","","2429.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 As2 Cl2 S4 -","- C20 H24 As2 Cl2 S4 -","- C80 H96 As8 Cl8 S16 -","4","0.5","","Cangelosi, Virginia M.; Pitt, Melanie A.; Vickaryous, W. Jake; Allen, Corinne A.; Zakharov, Lev N.; Johnson, Darren W.","Design Considerations for the Group 15 Elements: The Pnictogen···π Interaction As a Complementary Component in Supramolecular Assembly Design","Crystal Growth & Design","2010","10","8","3531","","10.1021/cg100444n","","","0.71073","MoKα","","0.0502","0.0349","","","0.0688","0.0801","","","","","","1.12","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501784","14.207","0.002","9.918","0.003","16.545","0.003","90","","90","","90","","2331.3","0.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd3 N22 O2 -","- C12 H16 Cd3 N22 O2 -","- C48 H64 Cd12 N88 O8 -","4","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0208","0.0178","","","0.0387","0.04","","","","","","1.116","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501785","14.2128","0.0004","9.8325","0.0002","16.3309","0.0004","90","","90","","90","","2282.2","0.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd3 Cl2 N16 O2 -","- C12 H16 Cd3 Cl2 N16 O2 -","- C48 H64 Cd12 Cl8 N64 O8 -","4","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71073","MoKα","","0.0195","0.0176","","","0.0412","0.0417","","","","","","1.139","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501786","14.3329","0.0009","9.8015","0.0006","16.5134","0.001","90","","90","","90","","2319.9","0.2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Br2 Cd3 N16 O2 -","- C12 H16 Br2 Cd3 N16 O2 -","- C48 H64 Br8 Cd12 N64 O8 -","4","0.5","","Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane","Crystal Growth & Design","2010","10","10","4370","","10.1021/cg100467p","","","0.71075","MoKα","","0.0358","0.0321","","","0.0871","0.0893","","","","","","1.12","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501880","17.8558","0.0009","6.5035","0.0004","20.0646","0.0013","90","","90","","90","","2330","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 B F4 N4 O2 Rh -","- C8 H6 B F4 N4 O2 Rh -","- C64 H48 B8 F32 N32 O16 Rh8 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0404","0.0271","","","0.0622","0.0682","","","","","","1.026","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501881","17.9281","0.0005","6.5784","0.0002","20.1763","0.0005","90","","90","","90","","2379.56","0.11","220","2","220","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 B F4 N4 O2 Rh -","- C8 H6 B F4 N4 O2 Rh -","- C64 H48 B8 F32 N32 O16 Rh8 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0734","0.0357","","","0.0682","0.0805","","","","","","1.014","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501882","18.091","0.005","6.6391","0.0019","20.244","0.006","90","","90","","90","","2431.5","1.2","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 B F4 N4 O2 Rh -","- C8 H6 B F4 N4 O2 Rh -","- C64 H48 B8 F32 N32 O16 Rh8 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0676","0.0349","","","0.0799","0.0932","","","","","","1.015","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501885","16.0043","0.0005","11.7564","0.0003","26.4903","0.0006","90","","90","","90","","4984.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cl2 N4 O4 Rh2 -","- C24 H18 Cl2 N4 O4 Rh2 -","- C192 H144 Cl16 N32 O32 Rh16 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Niskanen, Mika; Hirva, Pipsa; Haukka, Matti","Metal−Metal Interactions in Stacked Mononuclear and Dinuclear Rhodium 2,2′-Biimidazole Carbonyl Complexes","Crystal Growth & Design","2010","10","8","3775","","10.1021/cg100606f","","","0.71073","MoKα","","0.0542","0.0326","","","0.067","0.0733","","","","","","1.131","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501951","13.2565","0.0002","17.8931","0.0004","23.6966","0.0005","90","","90","","90","","5620.83","0.19","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Cl14 N10 Pt -","- C42 H50 Cl14 N10 Pt -","- C168 H200 Cl56 N40 Pt4 -","4","0.5","","Gushchin, Pavel V.; Starova, Galina L.; Haukka, Matti; Kuznetsov, Maxim L.; Eremenko, Igor L.; Kukushkin, Vadim Yu.","Chloride−Chloroform Clusters Exhibiting Weak Hydrogen and Halogen Bondings Are Fully Characterized in the Solid State by X-ray Diffraction","Crystal Growth & Design","2010","10","11","4839","","10.1021/cg1007507","","","0.71073","MoKα","","0.0881","0.036","","","0.0747","0.0884","","","","","","1.022","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501979","11.094","0.007","7.803","0.003","14.174","0.009","90","","90","","90","","1227","1.2","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H4 F N -","- C7 H4 F N -","- C56 H32 F8 N8 -","8","1","","Vasylyeva, Vera; Merz, Klaus","Fluorobenzonitriles: Influence of the Substitution Pattern on Melting and Crystallization Properties","Crystal Growth & Design","2010","10","10","4250","","10.1021/cg100794s","","","0.71073","MoKα","","0.1116","0.0699","","","0.1657","0.1895","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501995","16.8539","0.0003","19.4252","0.0004","46.02","0.001","90","","90","","90","","15066.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C71 H61 N8 O29.47 S4 -","- C71 H61 N8 O29.467 S4 -","- C568 H488 N64 O235.736 S32 -","8","1","","Danylyuk, Oksana; Leśniewska, Barbara; Suwinska, Kinga; Matoussi, Nabila; Coleman, Anthony W.","Structural Diversity in the Crystalline Complexes ofpara-Sulfonato-calix[4]arene with Bipyridinium Derivatives","Crystal Growth & Design","2010","10","10","4542","","10.1021/cg100831c","","","0.71073","MoKα","","0.1455","0.0987","","","0.199","0.2138","","","","","","1.114","","","","has coordinates,has disorder","179550","2020-10-21","18:00:00",""
"4502112","11.9228","0.0006","11.8475","0.0006","19.5004","0.001","90","","90","","90","","2754.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Ag N3 O2 P -","- C13 H17 Ag N3 O2 P -","- C104 H136 Ag8 N24 O16 P8 -","8","1","","Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Design of Silver(I)−PTA Coordination Polymers through Controlled N,P-Coordination of 1,3,5-Triaza-7-phosphaadamantane (PTA) with Arylcarboxylates","Crystal Growth & Design","2010","10","12","5244","","10.1021/cg101058x","","","0.71073","MoKα","","0.0494","0.0283","","","0.0702","0.0781","","","","","","1.032","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502238","15.7936","0.0011","15.1937","0.001","20.058","0.0014","90","","90","","90","","4813.2","0.6","81","2","81","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(2,6-dibromopyrdinium) tetrabromoferrate(III) bromide","","- C10 H12 Br9 Fe N6 -","- C10 H12 Br9 Fe N6 -","- C80 H96 Br72 Fe8 N48 -","8","1","","Awwadi, Firas; Haddad, Salim F.; Willett, Roger D.; Twamley, Brendan","The Analogy of C−Br···Br−C, C−Br···Br−Fe, and Fe−Br···Br−Fe Contacts: Crystal Structures of (26DAPH)FeBr4and (26DA35DBPH)2FeBr4·Br","Crystal Growth & Design","2010","10","1","158","","10.1021/cg900762s","","","0.71073","MoKα","","0.0746","0.0426","","","0.0922","0.1048","","","","","","0.961","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502241","18.328","0.002","17.464","0.0018","23.66","0.003","90","","90","","90","","7573.1","1.5","293","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H64 Fe4 N4 O32 W10 -","- C64 H64 Fe4 N4 O32 W10 -","- C256 H256 Fe16 N16 O128 W40 -","4","0.5","","Xu, Haisheng; Li, Zhanfeng; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu","Charge-Transfer Salts via Cocrystallization of the Cationic Ferrocenyl Donor with Polyoxometalate Acceptors","Crystal Growth & Design","2010","10","3","1096","","10.1021/cg900777g","","","0.71073","MoKα","","0.0531","0.0347","","","0.0718","0.0754","","","","","","0.907","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502305","8.623","0.003","9.893","0.003","18.924","0.005","90","","90","","90","","1614.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H9 Cu O9 P -","- C2 H9 Cu O9 P -","- C16 H72 Cu8 O72 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","","","0.71073","MoKα","","0.0413","0.0315","","","0.0646","0.0673","","","","","","1.087","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502306","8.7008","0.0005","9.96","0.0006","17.0108","0.0009","90","","90","","90","","1474.16","0.15","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Cu O8 P -","- C2 Cu O8 P -","- C16 Cu8 O64 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502307","8.64","0.004","9.8981","0.003","19.073","0.013","90","","90","","90","","1631.1","1.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Cu O9 P -","- C2 Cu O9 P -","- C16 Cu8 O72 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502308","8.60953","0.00013","9.89223","0.00014","11.7314","0.00016","90","","90","","90","","999.13","0.02","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Cu O6 P -","- C2 Cu O6 P -","- C16 Cu8 O48 P8 -","8","1","","Demadis, Konstantinos D.; Papadaki, Maria; Aranda, Miguel A. G.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Sanakis, Yiannis","Stepwise Topotactic Transformations (1D to 3D) in Copper Carboxyphosphonate Materials: Structural Correlations","Crystal Growth & Design","2010","10","1","357","","10.1021/cg900943x","powder diffraction","x-ray","1.5406","","","","","","","","","0.03556","","3.02","","","","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502528","8.34","0.0008","9.4598","0.0009","17.8056","0.0017","90","","90","","90","","1404.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H6 N12 Zn -","- C10 H6 N12 Zn -","- C40 H24 N48 Zn4 -","4","0.5","","Zhang, Jian-Yong; Cheng, Ai-Ling; Sun, Qian; Yue, Qi; Gao, En-Qing","Syntheses, Structures, and Properties of Honeycomb and Square Grid Coordination Polymers with In Situ Formed 5-(2′-Pyrimidyl)tetrazolate","Crystal Growth & Design","2010","10","7","2908","","10.1021/cg9013398","","","0.71073","MoKα","","0.0453","0.0284","","","0.0712","0.0801","","","","","","1.027","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502601","7.126","0.0005","12.5407","0.001","30.918","0.003","90","","90","","90","","2763","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 Cu2 N6 -","- C12 H10 Cl2 Cu2 N6 -","- C96 H80 Cl16 Cu16 N48 -","8","1","","Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua","Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects","Crystal Growth & Design","2010","10","5","2192","","10.1021/cg901438x","","","0.71073","MoKα","","0.0627","0.0384","","","0.0815","0.0881","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502642","7.9678","0.0007","18.85","0.002","19.575","0.002","90","","90","","90","","2940","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H9 Na3 O13 S3 -","- C6 H9 Na3 O13 S3 -","- C48 H72 Na24 O104 S24 -","8","1","","Yi, Fei-Yan; Lin, Qi-Pu; Zhou, Tian-Hua; Mao, Jiang-Gao","A Series of Novel Lanthanide(III) Trisulfonates Based on Dinuclear Clusters","Crystal Growth & Design","2010","10","4","1788","","10.1021/cg901463f","","","0.71073","MoKα","","0.0828","0.0651","","","0.1314","0.1404","","","","","","1.158","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502669","16.3656","0.0002","27.4265","0.0003","30.3946","0.0004","90","","90","","90","","13642.7","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H43 Cl6 N12 O14 Sm -","- C58 H43 Cl6 N12 O14 Sm -","- C464 H344 Cl48 N96 O112 Sm8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Porphyrin Framework Solids. Hybrid Supramolecular Assembly Modes of Tetrapyridylporphyrin and Aqua Nitrates of Lanthanoid Ions","Crystal Growth & Design","2010","10","4","1823","","10.1021/cg901505m","","","0.71073","MoKα","","0.0826","0.0488","","","0.1201","0.133","","","","","","0.975","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502696","7.466","0.007","10.534","0.001","38.576","0.004","90","","90","","90","","3034","3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","1","","Varughese, Sunil; Draper, Sylvia M.","Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies","Crystal Growth & Design","2010","10","6","2571","","10.1021/cg9015383","","","0.71073","MoKα","","0.0534","0.0382","","","0.0864","0.0939","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502864","12.9282","0.0009","6.0241","0.0005","34.834","0.003","90","","90","","90","","2712.9","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","1","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.093","0.0696","","","0.1564","0.1664","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502866","10.9186","0.0009","22.3367","0.0018","22.3619","0.0017","90","","90","","90","","5453.7","0.8","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C208 H192 F32 N96 O16 -","16","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.1143","0.0861","","","0.2236","0.265","","","","","","1.066","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4503042","7.1368","0.0018","13.564","0.003","13.981","0.004","90","","90","","90","","1353.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Fe N2 O5 -","- C5 H4 Fe N2 O5 -","- C40 H32 Fe8 N16 O40 -","8","1","","Lu, Wen-Guan; Gu, Jin-Zhong; Jiang, Long; Tan, Min-Yu; Lu, Tong-Bu","Achiral and Chiral Coordination Polymers Containing Helical Chains: The Chirality Transfer Between Helical Chains","Crystal Growth & Design","2008","8","1","192","","10.1021/cg060778h","","","0.71073","MoKα","","0.0589","0.0358","","","0.0826","0.0908","","","","","","1.102","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503220","10.9724","0.0005","9.1655","0.0005","29.1477","0.0015","90","","90","","90","","2931.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl N O Pt S -","- C14 H16 Cl N O Pt S -","- C112 H128 Cl8 N8 O8 Pt8 S8 -","8","1","","Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun","The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes","Crystal Growth & Design","2008","8","8","2721","2728","10.1021/cg700785h","","","0.71073","MoKα","","0.0431","0.0355","","","0.0737","0.0772","","","","","","1.078","","","","has coordinates","211131","2020-10-21","18:00:00",""
"4503298","8.9765","0.0007","20.8175","0.0015","21.5274","0.0016","90","","90","","90","","4022.8","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,6-Diisopropylfuchsone","2,6-Diisopropyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C25 H26 O -","- C25 H26 O -","- C200 H208 O8 -","8","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0536","0.0453","","","0.1007","0.1047","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503312","8.1131","0.0011","13.093","0.0018","20.74","0.003","90","","90","","90","","2203.1","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 Eu N O9 -","- C6 H12 Eu N O9 -","- C48 H96 Eu8 N8 O72 -","8","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0289","0.0234","","","0.0577","0.0602","","","","","","1.066","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503373","8.5661","0.0007","9.3203","0.0007","30.749","0.002","90","","90","","90","","2455","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 I N O -","- C13 H10 I N O -","- C104 H80 I8 N8 O8 -","8","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.0554","0.0425","","","0.1123","0.1193","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503402","7.5923","0.0017","18.203","0.004","30.102","0.007","90","","90","","90","","4160.2","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Br Cu N3 O4 -","- C21 H15 Br Cu N3 O4 -","- C168 H120 Br8 Cu8 N24 O32 -","8","1","","Huang, Xue-Feng; Fu, Da-Wei; Xiong, Ren-Gen","Copper(I) Bromide-Mediated Coupling of Imidazoles. Trapping and X-Ray Crystal Structures of the Reaction Intermediates","Crystal Growth & Design","2008","8","6","1795","1797","10.1021/cg701085c","","","0.71073","MoKα","","0.1023","0.0382","","","0.0807","0.0973","","","","","","0.702","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503508","10.284","0.006","13.114","0.006","17.371","0.008","90","","90","","90","","2343","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H30 N4 O10 U -","- C16 H30 N4 O10 U -","- C64 H120 N16 O40 U4 -","4","0.5","","Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa","Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion","Crystal Growth & Design","2008","8","7","2364","","10.1021/cg7012254","","","0.71075","MoKα","","0.0779","0.0409","","","0.0809","0.0939","","","","","","1.054","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503518","17.5805","0.001","18.0403","0.001","32.8141","0.0018","90","","90","","90","","10407.2","1","187","2","187","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H54 Cd2 N6 O10 -","- C55 H54 Cd2 N6 O10 -","- C440 H432 Cd16 N48 O80 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading","Crystal Growth & Design","2008","8","6","1932","","10.1021/cg701232n","","","0.71073","MoKα","","0.0644","0.0458","","","0.0967","0.1028","","","","","","1.016","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503566","16.8125","0.0009","8.4528","0.0004","19.4257","0.001","90","","90","","90","","2760.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5.33 H8 Br3.56 N2.67 Pb0.89 -","- C5.33333 H8 Br3.55556 N2.66667 Pb0.888889 -","- C48 H72 Br32 N24 Pb8 -","9","1.125","","Li, Yinyan; Zheng, Guoli; Lin, Cuikun; Lin, Jun","New Organic‒Inorganic Perovskite Materials with Different Optical Properties Modulated by Different Inorganic Sheets","Crystal Growth & Design","2008","8","6","1990","","10.1021/cg800047p","","","0.71073","MoKα","","0.0752","0.0414","","","0.0818","0.0924","","","","","","0.997","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503584","14.959","0.003","9.0758","0.0016","22.131","0.004","90","","90","","90","","3004.6","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N2 O8 -","- C34 H32 N2 O8 -","- C136 H128 N8 O32 -","4","0.5","","Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini","Guest Control in the Self-Assembly of H-Shaped Host to Cyclopentanoid (5,43) Net","Crystal Growth & Design","2008","8","5","1471","","10.1021/cg800089v","","","0.71073","MoKα","","0.1144","0.0582","","","0.106","0.125","","","","","","1.003","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503628","14.167","0.003","5.6343","0.0013","18.694","0.005","90","","90","","90","","1492.2","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Hauser, Melanie R.; Zhakarov, Lev; Doxsee, Kenneth M.; Li, Tonglei","Polymorphism of a Simple Organic Amide","Crystal Growth & Design","2008","8","12","4428","","10.1021/cg800171h","","","0.71073","MoKα","","0.0452","0.0389","","","0.1035","0.1086","","","","","","1.028","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503686","9.1695","0.0016","10.3607","0.0019","12.504","0.002","90","","90","","90","","1187.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N4 O2 Zn -","- C3 H4 N4 O2 Zn -","- C24 H32 N32 O16 Zn8 -","8","1","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.0387","0.0343","","","0.0862","0.0889","","","","","","1.093","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503697","19.59","0.002","19.487","0.002","31.312","0.003","90","","90","","90","","11953","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H98 N8 O31 S3 -","- C36 H94 N8 O31 S3 -","- C288 H752 N64 O248 S24 -","8","1","","Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity","Crystal Growth & Design","2008","8","10","3689","","10.1021/cg800292e","","","0.71073","MoKα","","0.1197","0.0669","","","0.1704","0.2123","","","","","","1.012","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4503774","19.1978","0.0012","12.9544","0.0006","27.0343","0.0016","90","","90","","90","","6723.3","0.7","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H30 Cu2 N10 O5 -","- C35 H30 Cu2 N10 O5 -","- C280 H240 Cu16 N80 O40 -","8","1","","Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun","Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation","Crystal Growth & Design","2008","8","10","3791","","10.1021/cg8004322","","","0.71073","MoKα","","0.0512","0.048","","","0.1271","0.1293","","","","","","1.111","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503782","13.9238","0.0013","8.0603","0.0005","17.796","0.001","90","","90","","90","","1997.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-2-(3-methoxyphenoxy)propanoic acid","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","","Breen, Meghan E.; Tameze, Shella L.; Dougherty, William G.; Kassel, W. Scott; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(3-Bromophenoxy)propionic Acid and 2-(3-Methoxyphenoxy)propionic Acid","Crystal Growth & Design","2008","8","10","3863","","10.1021/cg800449r","","","0.71073","MoKα","","0.0943","0.0474","","","0.0933","0.1103","","","","","","1.021","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503868","30.238","0.005","12.8652","0.0012","39.247","0.003","90","","90","","90","","15268","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H81 Cl6 Cu3 N15 O27 -","- C57 H75 Cl6 Cu3 N15 O27 -","- C456 H600 Cl48 Cu24 N120 O216 -","8","1","","Fernández-Fernández, M. del Carmen; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Valencia, Laura","Trinuclear Copper(II) Endomacrocyclic Complex with a New Nonaazamacrocyclic Ligand Showing a Trapped Perchlorate Anion","Crystal Growth & Design","2008","8","11","3924","","10.1021/cg800758d","","","1.54184","CuKα","","0.0764","0.0636","","","0.1662","0.1781","","","","","","0.996","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503921","17.268","0.005","15.465","0.005","17.929","0.005","90","","90","","90","","4788","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 3 dcbcds","","","- C20 H26 Cd N6 O8 S -","- C20 H20 Cd N6 O8 S -","- C160 H160 Cd8 N48 O64 S8 -","8","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine","Crystal Growth & Design","2007","7","2","328","","10.1021/cg0604632","","","0.71069","MoKα","","0.0589","0.0332","","","0.0718","0.0835","","","","","","1.051","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4504015","9.374","0.003","17.514","0.005","20.342","0.006","90","","90","","90","","3339.7","1.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclophane-bis-lactol","cyclophane-bis-lactol","","- C20 H21 O3 S -","- C20 H21 O3 S -","- C160 H168 O24 S8 -","8","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy","Double [2+2] Photocycloaddition: Topochemical Conversion of 4-Methyl-7-Styrylcoumarin Dimorphs into a Strained Cyclophane","Crystal Growth & Design","2007","7","4","713","","10.1021/cg060652k","","","0.71073","MoKα","","0.0856","0.0635","","","0.1293","0.1378","","","","","","1.081","","","","has coordinates,has disorder","179575","2020-10-21","18:00:00",""
"4504038","10.237","0.0002","16.077","0.0004","21.155","0.0006","90","","90","","90","","3481.7","0.15","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethylamide of 7,7-dipropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1j]","","- C17 H31 N O3 -","- C17 H31 N O3 -","- C136 H248 N8 O24 -","8","1","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.102","0.0687","","","0.1817","0.2142","","","","","","1.09","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504043","18.799","0.002","7.7538","0.001","19.174","0.003","90","","90","","90","","2794.9","0.6","566","2","566","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cd N2 O4 -","- C14 H12 Cd N2 O4 -","- C112 H96 Cd8 N16 O32 -","8","1","","Wu, Chuan-De; Ayyappan, Ponnaiyan; Evans, Owen R.; Lin, Wenbin","Synthesis and X-ray Structures of Cadmium Coordination Polymers Based on New Pyridine−Carboxylate and Imidazole−Carboxylate Linkers","Crystal Growth & Design","2007","7","9","1690","","10.1021/cg060677j","","","0.71073","MoKα","","0.0706","0.0506","","","0.1242","0.1373","","","","","","1.077","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504187","11.2561","0.0007","15.9146","0.001","30.6537","0.0017","90","","90","","90","","5491.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H44 O2.5 P2 Pd -","- C24 H43 O2.456 P2 Pd -","- C192 H344 O19.648 P16 Pd8 -","8","1","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.1682","0.0567","","","0.1424","0.1783","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504217","12.2599","0.0009","12.1377","0.0009","21.1716","0.0016","90","","90","","90","","3150.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H14 Cu2 F8 N2 O8 -","- C34 H14 Cu2 F8 N2 O8 -","- C136 H56 Cu8 F32 N8 O32 -","4","0.5","","Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.","Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate","Crystal Growth & Design","2007","7","6","1154","","10.1021/cg070055d","","","0.71073","MoKα","","0.0641","0.0476","","","0.0981","0.1047","","","","","","1.089","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504312","9.3888","0.0014","10.1152","0.0014","11.571","0.0017","90","","90","","90","","1098.9","0.3","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Cl N4 Zn -","- C2 H2 Cl N4 Zn -","- C16 H16 Cl8 N32 Zn8 -","8","1","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0316","0.0302","","","0.0855","0.0869","","","","","","1.024","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504313","9.1976","0.0011","10.3412","0.0013","12.5765","0.0015","90","","90","","90","","1196.2","0.3","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N4 O2 Zn -","- C3 H4 N4 O2 Zn -","- C24 H32 N32 O16 Zn8 -","8","1","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0453","0.0349","","","0.1007","0.1102","","","","","","1.026","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504355","9.077","0.0009","13.2357","0.0015","19.652","0.002","90","","90","","90","","2361","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.1245","0.0749","","","0.1409","0.1592","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504362","11.6368","0.0008","7.2494","0.0005","24.7339","0.0017","90","","90","","90","","2086.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C88 H96 N32 O8 -","8","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0507","0.0415","","","0.1056","0.1124","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504374","10.0616","0.0014","11.2358","0.0016","14.92","0.002","90","","90","","90","","1686.7","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Mg O9 -","- C4 H10 Mg O9 -","- C32 H80 Mg8 O72 -","8","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0849","0.0575","","","0.1237","0.1359","","","","","","1.292","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504460","11.378","0.002","16.38","0.003","22.925","0.005","90","","90","","90","","4272.6","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 O4 -","- C20 H26 N4 O4 -","- C160 H208 N32 O32 -","8","1","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.157","0.0725","","","0.1875","0.2319","","","","","","1.007","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504476","11.5539","0.0005","7.5514","0.0003","19.2074","0.0012","90","","90","","90","","1675.81","0.14","120","2","120","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Mn O5 -","- C6 H10 Mn O5 -","- C48 H80 Mn8 O40 -","8","1","","Tan, Jin-Chong; Saines, Paul J.; Bithell, Erica G.; Cheetham, Anthony K.","Hybrid nanosheets of an inorganic-organic framework material: facile synthesis, structure, and elastic properties.","ACS nano","2012","6","1","615","621","10.1021/nn204054k","","x-ray","0.71073","MoKα","","0.0549","0.0393","","","0.13","0.1447","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504492","13.326","0.004","21.715","0.006","26.318","0.008","90","","90","","90","","7616","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Cl2 Cu N8 O11 -","- C36 H28 Cl2 Cu N8 O11 -","- C288 H224 Cl16 Cu8 N64 O88 -","8","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He","Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications","Crystal Growth & Design","2006","6","1","99","","10.1021/cg050210t","","","0.71073","MoKα","","0.2054","0.0791","","","0.1541","0.2049","","","","","","1.028","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504515","15.1889","0.0018","7.5002","0.0009","25.839","0.003","90","","90","","90","","2943.6","0.6","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh","Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts","Crystal Growth & Design","2006","6","1","150","","10.1021/cg050251p","","","0.71073","MoKα","","0.1234","0.0815","","","0.1619","0.1792","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504557","27.37","0.009","6.884","0.002","15.483","0.005","90","","90","","90","","2917.2","1.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cl4 N3 O Pt -","- C11 H11 Cl4 N3 O Pt -","- C88 H88 Cl32 N24 O8 Pt8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates","Crystal Growth & Design","2006","6","1","216","","10.1021/cg050296q","","","0.71073","MoKα","","0.049","0.0417","","","0.1052","0.1091","","","","","","1.239","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504567","7.309","0.002","15.18","0.003","27.115","0.004","90","","90","","90","","3008.4","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","246-DMT","1,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene","","- C32 H38 O10 -","- C32 H38 O10 -","- C128 H152 O40 -","4","0.5","","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","The Precarious Equilibrium between Different Types of Weak Hydrogen Bonds in Methoxy-Substituted Distyrylbenzenes: The Hybrid Network inE,E-1,4-Bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-2,3,5,6-tetramethoxybenzene","Crystal Growth & Design","2006","6","1","241","","10.1021/cg050317g","","","0.71073","MoKα","","0.1403","0.0457","","","0.0996","0.1307","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504662","15.1129","0.0015","12.4966","0.0011","16.848","0.0016","90","","90","","90","","3181.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Cd N2 O6 -","- C15 H14 Cd N2 O6 -","- C120 H112 Cd8 N16 O48 -","8","1","","Liao, Ju-Hsiou; Wu, Pei-Chi; Huang, Wei-Chia","Ionic Liquid as Solvent for the Synthesis and Crystallization of a Coordination Polymer: (EMI)[Cd(BTC)] (EMI = 1-Ethyl-3-methylimidazolium, BTC = 1,3,5-Benzenetricarboxylate)","Crystal Growth & Design","2006","6","5","1062","","10.1021/cg0504197","","","0.71073","MoKα","","0.0933","0.0715","","","0.13","0.1373","","","","","","1.21","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504768","18.051","0.004","21.21","0.005","17.979","0.004","90","","90","","90","","6883","3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cu2 N8 O15 -","- C26 H30 Cu2 N8 O15 -","- C208 H240 Cu16 N64 O120 -","8","1","","Lou, Ben-Yong; Jiang, Fei-Long; Wu, Ben-Lai; Yuan, Da-Qiang; Hong, Mao-Chun","From Helical Array to Porous Architecture: Exploring the Use of Side Chains of Amino Acids to Engineer 1D Infinite Coordination Polymeric Chain into Porous Frameworks","Crystal Growth & Design","2006","6","4","989","","10.1021/cg050589j","","","0.71073","MoKα","","0.0659","0.0587","","","0.131","0.1348","","","","","","1.163","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504794","18.61","","8.949","","25.27","","90","","90","","90","","4208.49","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H39 N O2 -","- C20 H39 N O2 -","- C160 H312 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D","Crystal Growth & Design","2006","6","4","1022","","10.1021/cg050674r","","","0.71073","MoKα","","0.1477","0.1018","","","0.2644","0.2973","","","","","","1.054","","","","has coordinates","179582","2020-10-21","18:00:00",""
"4504807","11.7789","0.0013","9.4606","0.001","18.262","0.002","90","","90","","90","","2035","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(3-pyridyl)-N'-phenylurea","N-(3-pyridyl)-N'-phenylurea","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","","Reddy, L. Sreenivas; Basavoju, Srinivas; Vangala, Venu R.; Nangia, Ashwini","Hydrogen Bonding in Crystal Structures ofN,N‘-Bis(3-pyridyl)urea. Why Is the N−H···O Tape Synthon Absent in Diaryl Ureas with Electron-Withdrawing Groups?","Crystal Growth & Design","2006","6","1","161","","10.1021/cg0580152","","","0.71073","MoKα","","0.0445","0.0425","","","0.1024","0.1038","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504883","12.256","0.005","33.236","0.011","8.387","0.002","90","","90","","90","","3416","2","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 N3 O S -","- C21 H14 N3 O S -","- C168 H112 N24 O8 S8 -","8","1","","Yao, Masaru; Asakura, Satoshi; Abe, Masahiro; Inoue, Hidenari; Yoshioka, Naoki","Formation of a One-Dimensional Stacking Structure of π-Conjugated Nitroxyl Radical Bearing a 1,2,5-Thiadiazole Ring and Its Magnetic Property","Crystal Growth & Design","2005","5","2","413","","10.1021/cg049599v","","","0.71073","MoKα","","","0.049","","","","0.137","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504896","12.137","0.007","7.742","0.005","18.618","0.009","90","","90","","90","","1749.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C56 H56 Cd8 N8 O48 -","8","1","","Tong, Ming-Liang; Hu, Sheng; Wang, Jing; Kitagawa, Susumu; Ng, Seik Weng","Supramolecular Isomerism in Cadmium Hydroxide Phases. Temperature-Dependent Synthesis and Structure of Photoluminescent Coordination Polymers of α- and β-Cd2(OH)2(2,4-pyda)","Crystal Growth & Design","2005","5","3","837","","10.1021/cg049610r","","","0.71073","MoKα","","0.0465","0.0391","","","0.0906","0.0939","","","","","","1.133","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504931","19.971","0.004","10.782","0.002","20.781","0.004","90","","90","","90","","4474.7","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H46 N2 O4 -","- C62 H46 N2 O4 -","- C248 H184 N8 O16 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli","Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines","Crystal Growth & Design","2005","5","3","1041","","10.1021/cg049650v","","","0.71073","MoKα","","0.0518","0.034","","","0.0722","0.0753","","","","","","0.829","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4505068","9.521","0.0019","19.944","0.004","26.149","0.005","90","","90","","90","","4965.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C192 H192 N16 O48 S16 -","8","1","","Biradha, Kumar; Mahata, Goutam","A 3D-Honeycomb Network with Unique Encapsulation of Dimers of 1D-Chains","Crystal Growth & Design","2005","5","1","49","","10.1021/cg0499257","","","0.71073","MoKα","","0.1326","0.0687","","","0.1715","0.2195","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505083","19.9519","0.0018","7.2218","0.0006","25.516","0.002","90","","90","","90","","3676.6","0.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N Ni1.5 O16 P -","- C6 H25 N Ni1.5 O16 P -","- C48 H200 N8 Ni12 O128 P8 -","8","1","","Kong, Deyuan; Clearfield, Abraham","Supramolecular Hydrogen-Bonded Frameworks from 6-Phosphonopyridine-2-carboxylic Acid and Transition Metal Ions","Crystal Growth & Design","2005","5","3","1263","","10.1021/cg050015e","","","0.71073","MoKα","","0.0665","0.0611","","","0.1499","0.1591","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505181","16.9957","0.0005","9.8726","0.0003","21.8641","0.0007","90","","90","","90","","3668.62","0.19","293","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Benzimidazolyl)-3,5-di-tert-butylphenol","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C168 H208 N16 O8 -","8","1","","Delen, Zeynep; Xie, Chunping; Hill, Pamela J.; Choi, Jong; Lahti, Paul M.","Hindered Hydrogen Bonding in 2,6-Di-tert-butylphenols with Para Aza-Heterocyclic Rings","Crystal Growth & Design","2005","5","5","1867","","10.1021/cg050156g","","","1.54178","CuKα","","0.0625","0.0492","","","0.1205","0.1277","","","","","","0.944","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505189","14.741","0.002","9.137","0.0015","20.542","0.002","90","","90","","90","","2766.8","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N4 S2 -","- C12 H18 N4 S2 -","- C96 H144 N32 S16 -","8","1","","Succaw, Gary L.; Weakley, Timothy J. R.; Han, Fusan; Doxsee, Kenneth M.","Crystal Engineering with Bis(thiourea) Derivatives†","Crystal Growth & Design","2005","5","6","2288","","10.1021/cg050162c","","","0.71073","MoKα","","0.072","0.044","","0.093","","0.042","","","1.08","","","1.14","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505222","19.27","0.003","19.906","0.003","25.249","0.003","90","","90","","90","","9685","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2:3 co-crystal Form I of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form I of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C432 H384 N48 O96 -","8","1","","Shattock, Tanise R.; Vishweshwar, Peddy; Wang, Zhenqiang; Zaworotko, Michael J.","18-Fold Interpenetration and Concomitant Polymorphism in the 2:3 Co-Crystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane†","Crystal Growth & Design","2005","5","6","2046","","10.1021/cg0501985","","","0.71073","MoKα","","0.0915","0.0557","","","0.1262","0.1548","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505340","18.907","0.002","14.565","0.003","21.414","0.004","90","","90","","90","","5897","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Co3 Na O25.5 -","- C18 H32 Co3 Na O25.5 -","- C144 H256 Co24 Na8 O204 -","8","1","","Cheng, Deping; Khan, Masood A.; Houser, Robert P.","Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]","Crystal Growth & Design","2004","4","3","599","","10.1021/cg0342415","","","0.71073","MoKα","","0.0562","0.0402","","","0.1017","0.1103","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505394","10.755","0.002","18.3","0.003","26.828","0.005","90","","90","","90","","5280.2","1.6","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-iodophenylsulfonylimino)-1,2-dihydropyridine","","- C11 H10 I N3 O2 S -","- C11 H10 I N3 O2 S -","- C176 H160 I16 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0713","0.0433","","","0.1","0.1245","","","","","","1.082","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505397","10.8897","0.0013","18.343","0.002","26.64","0.003","90","","90","","90","","5321.3","1","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-amino-2-[4-(trifluoromethyl)phenylsulfonylimino]-1,2-dihydropyridine","","- C12 H10 F3 N3 O2 S -","- C12 H10 F3 N3 O2 S -","- C192 H160 F48 N48 O32 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.0822","0.0589","","","0.1342","0.1481","","","","","","1.051","","","","has coordinates,has disorder","179588","2020-10-21","18:00:00",""
"4505398","10.614","0.003","18.276","0.005","27.402","0.007","90","","90","","90","","5315","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-amino-2-(4-methoxyphenylsulfonylimino)-1,2-dihydropyridine","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C192 H208 N48 O48 S16 -","16","2","","Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland","Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine","Crystal Growth & Design","2004","4","4","701","","10.1021/cg049912t","","","0.71073","MoKα","","0.1106","0.1024","","","0.2517","0.256","","","","","","1.118","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505431","10.7217","0.0001","10.8998","0.0001","27.6353","0.0002","90","","90","","90","","3229.58","0.05","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cββ.Py","5H,11H-Dibenzo[b,f][1,5]diazocine-6,12-dione, Pyridine Solvate","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C152 H120 N24 O16 -","8","1","","Gordon-Wylie, Scott W.; Teplin, Eleanor; Morris, James C.; Trombley, Margaret I.; McCarthy, Sean M.; Cleaver, William M.; Clark, George R.","Exploring Hydrogen-Bonded Structures: Synthesis and X-ray Crystallographic Screening of a Cisoid Cyclic Dipeptide Mini-Library","Crystal Growth & Design","2004","4","4","789","","10.1021/cg049957u","","","0.71073","MoKα","","0.0433","0.0381","","","0.0945","0.0977","","","","","","1.066","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505501","12.17","0.002","13.601","0.003","17.4","0.004","90","","90","","90","","2880.1","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Mn3 N10 O18 -","- C16 H28 Mn3 N10 O18 -","- C64 H112 Mn12 N40 O72 -","4","0.5","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0531","0.0514","","","0.139","0.1407","","","","","","1.093","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505574","21.2339","0.0001","28.3875","0.0001","28.7497","0.0002","90","","90","","90","","17329.7","0.16","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","tetrakis(dimethylammonium) [octaacuatetrakis(mu-pyridazine-3,6-dicarboxylato) -k2N,O:k2N',O')bis(mu-pyridazine-3,6-dicarboxylato)-k2N,O:k2O',O'') bis(mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') tetrakis(mu-pyridazine-3,6-dicarboxylato)-kO:kO')octaindate(III)octahydrate]","","- C80 H76 In8 N28 O68 -","- C80 H76 In8 N28 O68 -","- C320 H304 In32 N112 O272 -","4","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","1.5418","CuKα","","0.0347","0.0317","","","0.0873","0.0889","","","","","","1.079","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505577","10.0216","0.0018","18.327","0.004","24.871","0.005","90","","90","","90","","4568","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Li4 N2 O10 S2 -","- C18 H18 Li4 N2 O10 S2 -","- C144 H144 Li32 N16 O80 S16 -","8","1","","El Osta, Racha; Frigoli, Michel; Marrot, Jérôme; Medina, Manuela E.; Walton, Richard I.; Millange, Franck","Synthesis, Structure, and Crystallization Study of a Layered Lithium Thiophene-Dicarboxylate","Crystal Growth & Design","2012","12","3","1531","","10.1021/cg201587u","","","0.71073","MoKα","","0.0559","0.0425","","","0.1193","0.1333","","","","","","1.057","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505695","11.474","0.0001","15.117","0.0002","33.857","0.0005","90","","90","","90","","5872.58","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Ag2 Cl2 N6 O8 -","- C22 H34 Ag2 Cl2 N6 O8 -","- C176 H272 Ag16 Cl16 N48 O64 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0435","0.0299","","","0.066","0.0712","","","","","","1.037","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505745","12.157","0.003","18.073","0.004","22.72","0.005","90","","90","","90","","4992","2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H8 F16 S2 -","- C27 H8 F16 S2 -","- C216 H64 F128 S16 -","8","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.0493","0.0352","","","0.0814","0.088","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505786","12.372","0.0002","15.8687","0.0003","16.8796","0.0003","90","","90","","90","","3313.93","0.1","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 Cl Co N10 O2 -","- C8 H22 Cl Co N10 O2 -","- C64 H176 Cl8 Co8 N80 O16 -","8","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0681","0.0417","","","0.1043","0.1157","","","","","","1.033","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505839","9.4207","0.0007","16.3613","0.0013","18.3476","0.0018","90","","90","","90","","2828","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-N-(2-Bromobenzoyl)-?-methylbenzylamine, (±)-2","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C120 H112 Br8 N8 O8 -","8","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.2033","0.061","","","0.1053","0.1456","","","","","","0.953","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505895","9.1026","0.0009","13.6901","0.0017","20.269","0.002","90","","90","","90","","2525.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cl Cu N3 -","- C10 H17 Cl Cu N3 -","- C80 H136 Cl8 Cu8 N24 -","8","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0568","0.0419","","","0.096","0.1031","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505934","8.4623","0.0009","21.721","0.002","29.534","0.003","90","","90","","90","","5428.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Co2 N6 O6 -","- C30 H23 Co2 N6 O6 -","- C240 H184 Co16 N48 O48 -","8","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0487","0.0388","","","0.0947","0.0972","","","","","","1.023","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505982","9.7939","0.0007","21.688","0.0017","27.677","0.002","90","","90","","90","","5878.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cd2 N6 O9 -","- C26 H22 Cd2 N6 O9 -","- C208 H176 Cd16 N48 O72 -","8","1","","Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang","Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands","Crystal Growth & Design","2012","12","4","1697","","10.1021/cg300036y","","","0.71073","MoKα","","0.0502","0.0424","","","0.0963","0.1007","","","","","","1.017","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505991","12.701","0.005","7.34","0.005","39.243","0.005","90","","90","","90","","3658","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cd O6 -","- C21 H16 Cd O6 -","- C168 H128 Cd8 O48 -","8","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0676","0.0416","","","0.0665","0.0731","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506018","11.355","0.005","7.443","0.003","18.452","0.009","90","","90","","90","","1559.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C56 H40 Ca8 N8 O40 -","8","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0379","0.0303","","","0.0863","0.0908","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506058","13.8657","0.0003","9.2077","0.0002","37.9347","0.0008","90","","90","","90","","4843.17","0.18","95","","95","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 Cl N7 O3 S -","- C22 H28 Cl N7 O3 S -","- C176 H224 Cl8 N56 O24 S8 -","8","1","","Roy, Saikat; Quiñones, Rosalynn; Matzger, Adam J.","Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate phases.","Crystal growth & design","2012","12","4","2122","2126","10.1021/cg300152p","","","1.54187","CuKα","","","0.0905","","","","0.237","","","","","","1.047","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506259","10.8948","0.0004","16.0279","0.0006","21.7661","0.0005","90","","90","","90","","3800.8","0.2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Cu2 N6 Ni3 O6 -","- C24 H60 Cl4 Cu2 N6 Ni3 O6 -","- C96 H240 Cl16 Cu8 N24 Ni12 O24 -","4","0.5","","Buvaylo, Elena A.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Boča, Roman; Nesterov, Dmytro S.","Discussion of Planarity of Molecular Structures Using Novel Pentanuclear Cu/Ni Complexes as an Example","Crystal Growth & Design","2012","12","6","3200","","10.1021/cg300353b","","","0.71073","MoKα","","0.0743","0.0285","","","0.0672","0.0954","","","","","","0.564","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506267","8.0191","0.0002","17.305","0.0005","23.3034","0.0005","90","","90","","90","","3233.83","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cu La2 N2 O20 -","- C30 H22 Cu La2 N2 O20 -","- C120 H88 Cu4 La8 N8 O80 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0305","0.0227","","","0.0514","0.0569","","","","","","1.01","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506268","7.9905","0.0003","17.245","0.0005","23.2987","0.0007","90","","90","","90","","3210.47","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ce2 Cu N2 O20 -","- C30 H22 Ce2 Cu N2 O20 -","- C120 H88 Ce8 Cu4 N8 O80 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0336","0.0267","","","0.0695","0.0731","","","","","","1.021","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506269","7.9529","0.0002","17.2466","0.0007","23.2702","0.0007","90","","90","","90","","3191.75","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cu N2 O20 Pr2 -","- C30 H22 Cu N2 O20 Pr2 -","- C120 H88 Cu4 N8 O80 Pr8 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0369","0.0261","","","0.0644","0.0856","","","","","","1.018","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506402","14.4255","0.0002","11.6661","0.0002","17.4006","0.0002","90","","90","","90","","2928.34","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-4,6-dimethoxypyrimidine-5-chlorosalicylic acid","","- C13 H14 Cl N3 O5 -","- C13 H14 Cl N3 O5 -","- C104 H112 Cl8 N24 O40 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0866","0.0484","","","0.1213","0.139","","","","","","1.028","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506468","7.1323","0.0008","13.0072","0.0015","24.302","0.003","90","","90","","90","","2254.5","0.5","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C6 H7 Cd2 Cl2 N5 O2 -","- C6 H7 Cd2 Cl2 N5 O2 -","- C48 H56 Cd16 Cl16 N40 O16 -","8","1","","Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh","Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer","Crystal Growth & Design","2012","12","8","3825","","10.1021/cg300405j","","x-ray","0.71073","MoKα","","0.0202","0.0191","","","0.0472","0.0478","","","","","","1.122","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506529","15.163","0.003","11.876","0.002","18.546","0.004","90","","90","","90","","3339.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 F6 N2 P -","- C12 H25 F6 N2 P -","- C96 H200 F48 N16 P8 -","8","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.1427","0.064","","","0.1535","0.1961","","","","","","1.016","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506573","8.0763","0.0002","19.9989","0.0004","27.302","0.0006","90","","90","","90","","4409.74","0.17","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Ag2 F6 N2 O10 P2 S2 -","- C38 H36 Ag2 F6 N2 O10 P2 S2 -","- C152 H144 Ag8 F24 N8 O40 P8 S8 -","4","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0687","0.0536","","","0.1487","0.1632","","","","","","1.033","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506578","22.398","0.003","15.1572","0.0017","23.824","0.003","90","","90","","90","","8088","1.7","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C360 H480 O72 -","24","3","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0791","0.0569","","","0.1651","0.178","","","","","","1.077","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506636","7.8579","0.0007","10.917","0.0009","32.253","0.003","90","","90","","90","","2766.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.079","0.0516","","","0.109","0.1199","","","","","","1.056","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506637","19.7104","0.0004","10.8346","0.0002","24.3804","0.0004","90","","90","","90","","5206.54","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H28 N4 O3 -","- C29 H28 N4 O3 -","- C232 H224 N32 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.1263","0.0584","","","0.147","0.1872","","","","","","1.045","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506727","7.1874","0.0003","11.4435","0.0005","14.9673","0.0009","90","","90","","90","","1231.05","0.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O3 S -","- C5 H5 N O3 S -","- C40 H40 N8 O24 S8 -","8","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0442","0.0382","","","0.0965","0.1016","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506733","8.7354","0.0006","9.8973","0.0006","32.784","0.003","90","","90","","90","","2834.4","0.4","295","2","295","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","(Z)-1-(4'-benzamide-2'-butenyl)cytosine","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1132","0.0424","","","0.0626","0.0688","","","","","","0.998","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506734","8.5569","0.0006","10.007","0.0006","33.317","0.004","90","","90","","90","","2852.9","0.4","295","2","295","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","(Z)-1-(4'-benzamide-2'-butenyl)-5-fluorocytosine","","- C15 H15 F N4 O2 -","- C15 H15 F N4 O2 -","- C120 H120 F8 N32 O16 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1087","0.066","","","0.1898","0.2097","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506736","14.4861","0.0005","19.8854","0.0007","21.2864","0.0008","90","","90","","90","","6131.8","0.4","295","2","295","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","(Z)-1-[4'-(4''-fluoro)benzamide-2'-butenyl]-5-fluorocytosine hemihydrate","","- C15 H15 F2 N4 O2.5 -","- C15 H15 F2 N4 O2.5 -","- C240 H240 F32 N64 O40 -","16","2","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1115","0.0358","","","0.058","0.0625","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506913","11.0569","0.0003","13.1725","0.0003","15.5061","0.0004","90","","90","","90","","2258.42","0.1","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H14 N6 S -","- C9 H14 N6 S -","- C72 H112 N48 S8 -","8","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0399","0.033","","","0.0855","0.0907","","","","","","1.048","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506954","12.777","0.003","10.638","0.002","21.391","0.004","90","","90","","90","","2907.5","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4,5-tetrakis-perfluorobutyl-benzene","","","- C22 H2 F36 -","- C22 H2 F36 -","- C88 H8 F144 -","4","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0779","0.0738","","","0.1692","0.1711","","","","","","1.317","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507043","11.4053","0.0005","12.3693","0.0007","16.2184","0.0007","90","","90","","90","","2288.02","0.19","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium 2,5-dihydroxybenzoate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C96 H96 N16 O32 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0524","0.0358","","","0.0969","0.1005","","","","","","1.02","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507136","11.2332","0.0009","16.7375","0.0014","33.095","0.003","90","","90","","90","","6222.4","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","08212z","","","- C31 H31 Cl3 Cr N4 P -","- C31 H31 Cl3 Cr N4 P -","- C248 H248 Cl24 Cr8 N32 P8 -","8","1","","Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.","Selective Ethylene Tri-/Tetramerization Catalysts","ACS Catalysis","2012","2","12","2452","","10.1021/cs300488t","","","0.71073","MoKα","","0.0636","0.0363","","","0.0865","0.0953","","","","","","0.99","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507208","7.9085","0.0016","11.011","0.002","21.752","0.004","90","","90","","90","","1894.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyethylammonium benzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0459","0.034","","","0.09","0.0958","","","","","","1.012","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507241","9.821","0.006","7.969","0.005","13.109","0.009","90","","90","","90","","1026","1.1","296","2","296","2","","","2230000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1525","0.1234","","","0.2058","0.2175","","","","","","1.22","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507242","9.81","0.007","7.966","0.005","13.074","0.009","90","","90","","90","","1021.7","1.2","296","2","296","2","","","2270000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1879","0.1407","","","0.1889","0.2033","","","","","","1.401","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507243","9.782","0.006","7.859","0.004","12.967","0.008","90","","90","","90","","996.9","1","296","2","296","2","","","2900000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1557","0.1222","","","0.1935","0.2064","","","","","","1.241","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507278","11.372","0.001","9.4405","0.0008","28.453","0.002","90","","90","","90","","3054.6","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C136 H120 N8 O24 S8 -","8","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.076","0.0671","","","0.1554","0.1606","","","","","","1.139","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507325","9.4109","0.0002","18.8592","0.0003","20.2575","0.0004","90","","90","","90","","3595.34","0.12","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 I4.14 N2 S9.72 -","- C28 H20 I4.1374 N2 S9.7168 -","- C112 H80 I16.5496 N8 S38.8672 -","4","0.5","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0504","0.0317","","","0.0589","0.0631","","","","","","1.032","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507326","9.58","0.0003","18.999","0.0006","19.0798","0.0006","90","","90","","90","","3472.72","0.19","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 I3 N S2 -","- C14 H10 I3 N S2 -","- C112 H80 I24 N8 S16 -","8","1","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0376","0.0305","","","0.0739","0.077","","","","","","1.084","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507333","13.3978","0.0019","12.5471","0.0017","13.8797","0.0019","90","","90","","90","","2333.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0714","0.0638","","","0.128","0.1315","","","","","","1.256","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507380","15.9397","0.0006","9.6503","0.0004","26.8957","0.0012","90","","90","","90","","4137.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N3 O3 -","- C25 H20 N3 O3 -","- C200 H160 N24 O24 -","8","1","","Fernández-Mato, Antonio; García, Marcos D.; Peinador, Carlos; Quintela, José M.; Sánchez-Andújar, Manuel; Pato-Doldán, Breogán; Señarís-Rodríguez, M. Antonia; Tordera, Daniel; Bolink, Henk J.","Polymorphism-Triggered Reversible Thermochromic Fluorescence of a Simple 1,8-Naphthyridine","Crystal Growth & Design","2013","13","2","460","","10.1021/cg301656x","","","0.71073","MoKα","","0.0922","0.0504","","","0.1261","0.1664","","","","","","1.089","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507441","6.9888","0.0003","46.665","0.009","7.18","0.0004","90","","90","","90","","2341.6","0.5","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,10-DPhDNTT","3,10-DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C136 H80 S8 -","4","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","1","synchrotron","","0.0698","0.0594","","","0.1608","0.1651","","","","","","1.338","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507467","12.449","0.003","17.904","0.004","27.691","0.006","90","","90","","90","","6172","2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 1","Iridium (4-trifluoromethylphenylbenzothiazole)2 (acac)","","- C33 H21 F6 Ir N2 O2 S2 -","- C33 H21 F6 Ir N2 O2 S2 -","- C264 H168 F48 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0571","0.0356","","","0.0776","0.0879","","","","","","0.97","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507468","10.0877","0.0001","18.273","0.0002","30.8642","0.0003","90","","90","","90","","5689.28","0.1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Iridium 2","Iridium (4-methylphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O2 S2 -","- C33 H27 Ir N2 O2 S2 -","- C264 H216 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.058","0.0347","","","0.0782","0.0884","","","","","","1.041","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507469","17.1215","0.0002","17.2024","0.0002","18.135","0.0003","90","","90","","90","","5341.32","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 3","Iridium (4-fluorophenylbenzothiazole)2 (acac)","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0513","0.0313","","","0.0688","0.0782","","","","","","1.04","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507477","18.2469","0.0006","13.187","0.0005","18.6203","0.0006","90","","90","","90","","4480.5","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C21 H28 N8 O7 -","- C21 H28 N8 O7 -","- C168 H224 N64 O56 -","8","1","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.048","0.0453","","","0.1164","0.1184","","","","","","1.103","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507527","12.4378","0.0006","14.7717","0.0008","16.6097","0.0009","90","","90","","90","","3051.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0793","0.0594","","","0.159","0.1748","","","","","","1.053","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507528","12.6991","0.0005","15.5711","0.0006","16.3313","0.0006","90","","90","","90","","3229.3","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0983","0.0882","","","0.2477","0.2584","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507529","12.6358","0.0008","15.2897","0.0009","16.4183","0.001","90","","90","","90","","3172","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.1031","0.0685","","","0.1652","0.1879","","","","","","1.086","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507534","14.705","0.002","15.934","0.003","16.796","0.003","90","","90","","90","","3935.5","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N6 O6 Zn -","- C20 H17 N6 O6 Zn -","- C160 H136 N48 O48 Zn8 -","8","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0781","0.052","","","0.1365","0.1555","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507546","16.811","0.003","13.891","0.003","20.743","0.004","90","","90","","90","","4843.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C168 H128 Cd8 N16 O48 -","8","1","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0434","0.0297","","","0.0728","0.0792","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507554","5.807","0.002","13.549","0.008","14.28","0.006","90","","90","","90","","1123.5","0.9","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0815","0.043","","","0.1003","0.1316","","","","","","1.113","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507556","5.96","0.003","14.019","0.009","15.021","0.011","90","","90","","90","","1255.1","1.4","205","","205","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.065","0.0477","","","0.1199","0.1348","","","","","","1.08","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507557","5.4526","0.0012","13.538","0.003","14.735","0.004","90","","90","","90","","1087.7","0.5","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1033","0.0558","","","0.1209","0.1549","","","","","","1.093","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507635","13.5383","0.001","18.7314","0.0014","26.43","0.0019","90","","90","","90","","6702.4","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O6 Zn -","- C37 H31 N5 O6 Zn -","- C296 H248 N40 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0762","0.0619","","","0.1896","0.1997","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507696","8.5022","0.0002","9.0863","0.0002","15.6786","0.0004","90","","90","","90","","1211.23","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.0806","0.0414","","","0.0819","0.1033","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507697","8.5568","0.0002","9.1952","0.0002","15.7495","0.0004","90","","90","","90","","1239.19","0.05","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.1046","0.0514","","","0.0802","0.1008","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507734","20.415","0.004","13.369","0.003","20.967","0.004","90","","90","","90","","5722","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Cl N2 P2 -","- C31 H28 Ag Cl N2 P2 -","- C248 H224 Ag8 Cl8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0632","0.0534","","","0.0922","0.0964","","","","","","1.189","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507735","20.619","0.004","13.453","0.003","21.059","0.004","90","","90","","90","","5842","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Br N2 P2 -","- C31 H28 Ag Br N2 P2 -","- C248 H224 Ag8 Br8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0663","0.0559","","","0.1064","0.111","","","","","","1.244","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507736","13.815","0.003","20.767","0.004","41.214","0.008","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 Ag2 N6 P4 S2 -","- C64 H56 Ag2 N6 P4 S2 -","- C512 H448 Ag16 N48 P32 S16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0833","0.0665","","","0.1368","0.1459","","","","","","1.191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507774","14.8823","0.0006","15.0709","0.0006","15.0819","0.0006","90","","90","","90","","3382.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl N O2 S -","- C16 H22 Cl N O2 S -","- C128 H176 Cl8 N8 O16 S8 -","8","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0504","0.0424","","","0.1163","0.1293","","","","","","1.039","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507802","23.47","0.005","22.051","0.004","52.645","0.01","90","","90","","90","","27246","9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C116 H108 B2 Cu2 F8 N32 O40 -","- C96 H48 B2 Cu2 F8 N12 -","- C768 H384 B16 Cu16 F64 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0867","0.0765","","","0.2232","0.2338","","","","","","1.021","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507803","23.653","0.005","23.737","0.004","51.93","0.01","90","","90","","90","","29156","10","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C110 H90 Cu2 F12 N26 O28 P2 -","- C96 H48 Cu2 N12 -","- C768 H384 Cu16 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","synchrotron","","0.1779","0.1336","","","0.3397","0.359","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507820","15.4331","0.0016","12.9048","0.0013","15.7762","0.0016","90","","90","","90","","3142","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H24 Cu N2 O8 -","- C38 H24 Cu N2 O8 -","- C152 H96 Cu4 N8 O32 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0532","0.0349","","","0.0693","0.0751","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507855","13.2964","0.0008","7.0927","0.0004","27.3093","0.0015","90","","90","","90","","2575.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H9 Cl Er3 N O10 -","- C7 H9 Cl Er3 N O10 -","- C56 H72 Cl8 Er24 N8 O80 -","8","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0894","0.055","","","0.1214","0.1343","","","","","","1.181","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507859","13.887","0.005","9.302","0.004","32.649","0.005","90","","90","","90","","4217","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N O4 Zn -","- C24 H22 N O4 Zn -","- C192 H176 N8 O32 Zn8 -","8","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0561","0.0472","","","0.1253","0.1335","","","","","","1.053","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507864","19.708","0.002","24.955","0.003","35.224","0.004","90","","90","","90","","17324","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C93 H90 N14 Ni2 O10 -","- C93 H90 N14 Ni2 O10 -","- C744 H720 N112 Ni16 O80 -","8","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.103","0.0722","","","0.1645","0.1833","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4508124","16.251","0.0006","18.0786","0.0007","18.6411","0.0006","90","","90","","90","","5476.7","0.3","100.05","0.1","100.05","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H44 Ag2 F6 N16 O6 S2 -","- C54 H44 Ag2 F6 N16 O6 S2 -","- C216 H176 Ag8 F24 N64 O24 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0304","0.0265","","","0.0656","0.0688","","","","","","1.044","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508129","5.9421","0.0012","17.846","0.004","19.075","0.004","90","","90","","90","","2022.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C72 H40 Cl24 N16 O8 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.71073","MoKα","","0.0343","0.0294","","","0.0737","0.0764","","","","","","1.066","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508153","9.8937","0.0006","10.9771","0.0008","17.1409","0.0011","90","","90","","90","","1861.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0635","0.0414","","","0.0734","0.0805","","","","","","1.008","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508168","10.912","0.001","9.586","0.003","24.842","0.003","90","","90","","90","","2598.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0654","0.0378","","","0.092","0.1114","","","","","","1.027","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508169","14.455","0.003","11.514","0.002","14.857","0.003","90","","90","","90","","2472.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N3 O3 S -","- C11 H14 N3 O3 S -","- C88 H112 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0748","0.0442","","","0.1358","0.1439","","","","","","1.11","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508210","7.843","0.002","7.484","0.002","19.078","0.003","90","","90","","90","","1119.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O6 P2 -","- C10 H10 O6 P2 -","- C40 H40 O24 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0933","0.0326","","","0.0468","0.0553","","","","","","1.008","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508275","6.8248","0.0012","13.871","0.003","16.678","0.003","90","","90","","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 O10 Zn -","- C12 H14 N4 O10 Zn -","- C48 H56 N16 O40 Zn4 -","4","0.5","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0313","0.0268","","","0.0714","0.0747","","","","","","1.077","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508374","18.625","0.003","20.786","0.003","32.239","0.005","90","","90","","90","","12481","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cr O4 P2 -","- C34 H30 Cr O4 P2 -","- C544 H480 Cr16 O64 P32 -","16","2","","Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min","Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands","ACS Catalysis","2013","3","10","2311","","10.1021/cs400651h","","","0.71073","MoKα","","0.0698","0.0507","","","0.1261","0.1394","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508375","9.218","0.003","16.424","0.004","24.589","0.008","90","","90","","90","","3722.7","1.9","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Ir O5 S -","- C16 H27 Ir O5 S -","- C128 H216 Ir8 O40 S8 -","8","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0423","0.0235","","","0.0408","0.044","","","","","","1.021","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508507","4.9312","0.0003","19.156","0.0013","41.744","0.002","90","","90","","90","","3943.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C184 H184 F8 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1407","0.0708","","","0.1083","0.1352","","","","","","1.087","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508531","11.5833","0.0004","12.7133","0.0003","41.9519","0.0016","90","","90","","90","","6177.9","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C37 H10 B F12 N6 O -","- C37 H10 B F12 N6 O -","- C296 H80 B8 F96 N48 O8 -","8","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1439","0.0646","","","0.152","0.2045","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508563","8.2744","0.0008","10.0481","0.0009","31.309","0.003","90","","90","","90","","2603.1","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0486","","","","0.155","","","","","","1.055","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508578","10.408","0.002","11.342","0.002","35.927","0.007","90","","90","","90","","4241.1","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.2118","0.04","","","0.0644","0.09","","","","","","0.654","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508613","12.528","0.007","10.051","0.005","19.086","0.01","90","","90","","90","","2403","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C112 H64 N16 O8 S16 -","8","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.1961","0.1544","","","0.3891","0.4355","","","","","","1.704","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508615","12.807","0.002","9.9871","0.0018","20.311","0.003","90","","90","","90","","2597.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.0955","0.0581","","","0.1545","0.1828","","","","","","1.075","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508627","17.36","0.009","15.178","0.008","24.457","0.013","90","","90","","90","","6444","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Cd2 I4 N7 O0 -","- C25 H19 Cd2 I4 N7 -","- C200 H152 Cd16 I32 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.057","0.0425","","","0.1005","0.1083","","","","","","1.005","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508628","16.7768","0.0012","14.4667","0.001","23.534","0.0016","90","","90","","90","","5711.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Cl4 Hg2 N7 O0 -","- C25 H19 Cl4 Hg2 N7 -","- C200 H152 Cl32 Hg16 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0499","0.0312","","","0.0676","0.0789","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508629","17.1651","0.0008","14.7379","0.0007","23.655","0.0011","90","","90","","90","","5984.2","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Br4 Hg2 N7 O0 -","- C25 H19 Br4 Hg2 N7 -","- C200 H152 Br32 Hg16 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0759","0.0447","","","0.0954","0.1071","","","","","","1.009","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508630","17.755","0.003","15.139","0.003","24.304","0.005","90","","90","","90","","6533","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 Hg2 I4 N7 O0 -","- C25 H19 Hg2 I4 N7 -","- C200 H152 Hg16 I32 N56 -","8","1","","Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang","Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks","Crystal Growth & Design","2006","6","6","1341","","10.1021/cg0505822","","","0.71073","MoKα","","0.0652","0.0384","","","0.0838","0.0943","","","","","","0.987","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508654","19.576","0.005","21.306","0.005","29.998","0.007","90","","90","","90","","12512","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H52 Co N6 O23 S8 -","- C60 H36 Co N6 O23 S8 -","- C480 H288 Co8 N48 O184 S64 -","8","1","","Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Kang, Shu; Song, Hai-Bin","Diverse Conformation and Extended Structure ofp-Sulfonatothiacalix[4]arene Manipulated by Guest Molecules","Crystal Growth & Design","2006","6","6","1399","","10.1021/cg060012h","","","0.71073","MoKα","","0.1278","0.0631","","","0.1408","0.1938","","","","","","1.136","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508687","14.04","0.003","14.345","0.003","27.756","0.005","90","","90","","90","","5590","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N5 O10 Zn2 -","- C25 H25 N5 O10 Zn2 -","- C200 H200 N40 O80 Zn16 -","8","1","","Eubank, Jarrod F.; Walsh, Rosa D.; Poddar, Pankaj; Srikanth, Hariharan; Larsen, Randy W.; Eddaoudi, Mohamed","Metal−Organic Framework Diversity via Heterocoordination of a Multifunctional Ligand: SrAl2and a Novel (3,4)-Connected Network","Crystal Growth & Design","2006","6","6","1453","","10.1021/cg060087l","","","0.71073","MoKα","","0.1045","0.0707","","","0.1738","0.2027","","","","","","0.913","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508740","8.9793","0.0002","16.7321","0.0004","21.4072","0.0005","90","","90","","90","","3216.27","0.13","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Ag2 N2 O6 S4 -","- C6 H16 Ag2 N2 O6 S4 -","- C48 H128 Ag16 N16 O48 S32 -","8","1","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0688","0.0531","","","0.1247","0.13","","","","","","0.996","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508743","10.992","0.0001","8.7129","0.0001","28.4137","0.0003","90","","90","","90","","2721.24","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Ag2 O6 S6 -","- C20 H30 Ag2 O6 S6 -","- C80 H120 Ag8 O24 S24 -","4","0.5","","Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François","Influence of the Anion on the Structure of Bis(methylthio)methane Supramolecular Coordination Complexes","Crystal Growth & Design","2006","6","12","2674","","10.1021/cg060148f","","","1.54178","CuKα","","0.0347","0.0311","","","0.0776","0.0793","","","","","","1.013","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508764","11.1187","0.0017","16.862","0.003","18.577","0.005","90","","90","","90","","3482.9","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C112 H216 N24 O32 -","8","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0694","0.0443","","","0.0951","0.1068","","","","","","1.022","","","","has coordinates,has disorder","179623","2020-10-21","18:00:00",""
"4508789","11.722","0.002","16.609","0.003","19.65","0.004","90","","90","","90","","3825.7","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Co N2 O4 -","- C21 H18 Co N2 O4 -","- C168 H144 Co8 N16 O32 -","8","1","","Chen, Pang-Kuan; Che, Yun-Xia; Xue, Lin; Zheng, Ji-Min","Two 2-Fold Interpenetrated Frameworks Showing Different Topologies Based on the Isomerous Benzenedicarboxylate Mixed with a FlexibleN,N‘-Type Ligand","Crystal Growth & Design","2006","6","11","2517","","10.1021/cg0602717","","","0.71073","MoKα","","0.0516","0.041","","","0.1112","0.1165","","","","","","1.063","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508812","8.8752","0.001","17.898","0.002","24.41","0.003","90","","90","","90","","3877.5","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Br N O2 -","- C21 H20 Br N O2 -","- C168 H160 Br8 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0452","0.038","","","0.0968","0.1018","","","","","","1.065","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508818","22.4126","0.0017","16.699","0.0013","10.7237","0.0008","90","","90","","90","","4013.5","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Br2 N2 O4 -","- C46 H44 Br2 N2 O4 -","- C184 H176 Br8 N8 O16 -","4","0.5","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0286","0.0264","","","0.0655","0.0672","","","","","","1.043","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508819","10.7493","0.001","22.797","0.002","16.6738","0.0016","90","","90","","90","","4085.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C192 H200 N8 O16 -","8","1","","Trivedi, Darshak R.; Dastidar, Parthasarathi","Cation-Induced Supramolecular Isomerism in the Hydrogen-Bonded Network of Secondary Ammonium Monocarboxylate Salts: A New Class of Organo Gelator and Their Structures","Crystal Growth & Design","2006","6","9","2114","","10.1021/cg060325c","","","0.71073","MoKα","","0.0621","0.0483","","","0.1152","0.1219","","","","","","1.142","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508953","10.962","0.012","9.79","0.012","12.7","0.012","90","","90","","90","","1363","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl2 N2 O8 -","- C8 H14 Cl2 N2 O8 -","- C32 H56 Cl8 N8 O32 -","4","0.5","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0513","0.0413","","","0.1096","0.1184","","","","","","1.045","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508977","13.932","0.0005","18.412","0.0007","19.482","0.0007","90","","90","","90","","4997.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N4 O8 Zn2 -","- C26 H21 N4 O8 Zn2 -","- C208 H168 N32 O64 Zn16 -","8","1","","Lan, Ya-Qian; Li, Shun-Li; Fu, Yao-Mei; Du, Dong-Ying; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Fu, Qiang","Syntheses, Structures, and Luminescent Properties of Zinc(II) and Cadmium(II) Coordination Complexes Based on Different (Pyridyl)imidazole Derivatives and 1,4-Benzenedicarboxylate","Crystal Growth & Design","2009","9","3","1353","","10.1021/cg8005234","","","0.71069","MoKα","","0.0509","0.0336","","","0.0797","0.0872","","","","","","1.054","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509013","13.6516","0.0019","6.3323","0.0009","15.573","0.002","90","","90","","90","","1346.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Yakovenko, Andrey A.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Molecular and Crystal Structure of Low Melting Nitrotoluene Isomers","Crystal Growth & Design","2009","9","1","57","","10.1021/cg800659f","","","0.71073","MoKα","","0.0584","0.0438","","","0.0936","0.101","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509141","13.4095","0.0006","14.0204","0.0007","16.6409","0.0008","90","","90","","90","","3128.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N4 O4 Zn -","- C13 H18 N4 O4 Zn -","- C104 H144 N32 O32 Zn8 -","8","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0512","0.0333","","","0.0846","0.095","","","","","","1.028","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509254","16.602","0.005","14.728","0.004","18.757","0.005","90","","90","","90","","4586","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N2 O5.5 Zn -","- C24 H18.484 N2 O5.5 Zn -","- C192 H147.872 N16 O44 Zn8 -","8","1","","Sun, Qian; Yue, Qi; Zhang, Jian-Yong; Wang, Li; Li, Xue; Gao, En-Qing","Hydrothermal Synthesis, Structures, and Properties of Manganese(II) and Zinc(II) Coordination Polymers with Different Phenylenediacrylates","Crystal Growth & Design","2009","9","5","2310","","10.1021/cg8011266","","","0.71073","MoKα","","0.1644","0.0719","","","0.1847","0.2245","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509328","19.244","0.003","18.468","0.003","19.444","0.003","90","","90","","90","","6910.4","1.9","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Co2 N6 O15 S2 -","- C26 H36 Co2 N6 O15 S2 -","- C208 H288 Co16 N48 O120 S16 -","8","1","","Huang, Fu-Ping; Li, Hai-Ye; Tian, Jin-Lei; Gu, Wen; Jiang, Yi-Min; Yan, Shi-Ping; Liao, Dai-Zheng","A Three-Dimensional (42.84)-lvt Topology and a Two-Dimensional Brick-Wall Network: Two Pillared Supramolecular Isomers Exploring the Use ofl-Cysteic Acid to Engineer Porous Frameworks","Crystal Growth & Design","2009","9","7","3191","","10.1021/cg801243a","","","0.71073","MoKα","","0.1726","0.0697","","","0.1593","0.2188","","","","","","1.014","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509420","11.088","0.003","9.669","0.003","28.537","0.007","90","","90","","90","","3059.4","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 La N O8 P -","- C13 H9 La N O8 P -","- C104 H72 La8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0712","0.0558","","","0.0961","0.1025","","","","","","1.179","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509421","11.0097","0.0005","9.6183","0.0005","28.4383","0.0013","90","","90","","90","","3011.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O8 P Pr -","- C13 H9 N O8 P Pr -","- C104 H72 N8 O64 P8 Pr8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0593","0.0451","","","0.0784","0.0842","","","","","","1.158","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509422","10.967","0.0018","9.5949","0.0017","28.377","0.005","90","","90","","90","","2986","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N Nd O8 P -","- C13 H9 N Nd O8 P -","- C104 H72 N8 Nd8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0355","0.0336","","","0.062","0.0626","","","","","","1.318","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509423","10.863","0.002","9.5249","0.0016","28.298","0.005","90","","90","","90","","2928","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Eu N O8 P -","- C13 H9 Eu N O8 P -","- C104 H72 Eu8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0431","0.0398","","","0.082","0.083","","","","","","1.382","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509424","10.8523","0.0006","9.528","0.0005","28.2963","0.0016","90","","90","","90","","2925.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Gd N O8 P -","- C13 H9 Gd N O8 P -","- C104 H72 Gd8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0847","0.0697","","","0.1115","0.117","","","","","","1.263","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509425","10.809","0.003","9.47","0.002","28.244","0.006","90","","90","","90","","2891.1","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O8 P Tb -","- C13 H9 N O8 P Tb -","- C104 H72 N8 O64 P8 Tb8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0764","0.0696","","","0.1342","0.1363","","","","","","1.441","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509426","10.717","0.002","9.4278","0.0017","28.146","0.006","90","","90","","90","","2843.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Er N O8 P -","- C13 H9 Er N O8 P -","- C104 H72 Er8 N8 O64 P8 -","8","1","","Song, Jun-Ling; Yi, Fei-Yan; Mao, Jiang-Gao","New Types of Luminescent Lanthanide Squarato-Aminophosphonates","Crystal Growth & Design","2009","9","7","3273","","10.1021/cg900010z","","","0.71073","MoKα","","0.0427","0.0402","","","0.0771","0.0782","","","","","","1.163","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509491","15.5048","0.0004","9.854","0.0002","24.3284","0.0006","90","","90","","90","","3717","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N4 O4 Zn -","- C16 H22 N4 O4 Zn -","- C128 H176 N32 O32 Zn8 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0445","0.0299","","","0.0775","0.0851","","","","","","1.035","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509541","23.178","0.005","24.882","0.005","28.509","0.006","90","","90","","90","","16442","6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H101.5 Fe6 N7.5 Na O19 -","- C75 H96 Fe6 N7.5 Na O19 -","- C600 H768 Fe48 N60 Na8 O152 -","8","1","","Yang, Pei-Pei; Song, Hai-Bin; Gao, Xi-Feng; Li, Li-Cun; Liao, Dai-Zheng","Syntheses, Crystal Structures, and Magnetic Properties of Two Cyclic Clusters Comprising Six Iron(III)/Manganese(III) Ions and Entrapping Sodium Ions","Crystal Growth & Design","2009","9","9","4064","","10.1021/cg9002884","","","0.71073","MoKα","","0.0744","0.0557","","","0.1624","0.1768","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509546","10.335","0.002","20.68","0.004","34.728","0.006","90","","90","","90","","7422","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Cs O17 P4 -","- C32 H35 Cs O17 P4 -","- C256 H280 Cs8 O136 P32 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Raston, Colin L.","Organization of Lower RimO-Alkylatedp-Phosphonic Acid Calix[4]arenes","Crystal Growth & Design","2009","9","8","3575","","10.1021/cg900315h","","","0.71073","MoKα","","0.1324","0.0692","","","0.1603","0.1886","","","","","","1.02","","","","has coordinates,has disorder","179631","2020-10-21","18:00:00",""
"4509572","10.5167","0.0009","19.4581","0.0016","26.198","0.002","90","","90","","90","","5361","0.8","198","2","198","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H37 N3 O5 -","- C26 H33 N3 O5 -","- C208 H264 N24 O40 -","8","1","","Baillargeon, Pierre; Dory, Yves L.","Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions","Crystal Growth & Design","2009","9","8","3638","","10.1021/cg900379n","","","0.71073","MoKα","","0.1126","0.0723","","","0.2348","0.2688","","","","","","1.155","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509597","14.888","0.004","18.24","0.007","49.411","0.013","90","","90","","90","","13418","7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H93 Br6 Dy N6 -","- C52 H99 Br6 Dy N8 -","- C416 H792 Br48 Dy8 N64 -","8","1","","Getsis, Anna; Balke, Benjamin; Felser, Claudia; Mudring, Anja-Verena","Dysprosium-Based Ionic Liquid Crystals: Thermal, Structural, Photo- and Magnetophysical Properties","Crystal Growth & Design","2009","9","10","4429","","10.1021/cg900463b","","","0.71073","MoKα","","0.1518","0.1047","","","0.2442","0.2721","","","","","","1.167","","","","has coordinates","179631","2020-10-21","18:00:00",""
"4509601","10.401","0.004","8.426","0.002","20.995","0.007","90","","90","","90","","1840","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ASA_05PIPERAZINE","","","- C18 H24 N4 O6 -","- C18 H24 N4 O6 -","- C72 H96 N16 O24 -","4","0.5","","André, Vânia; Braga, Dario; Grepioni, Fabrizia; Duarte, M. Teresa","Crystal Forms of the Antibiotic 4-Aminosalicylic Acid: Solvates and Molecular Salts with Dioxane, Morpholine, and Piperazine","Crystal Growth & Design","2009","9","12","5108","","10.1021/cg900495s","","","0.71069","MoKα","","0.0744","0.0562","","","0.1831","0.1961","","","","","","1.103","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509634","8.588","0.0006","15.6232","0.0011","21.717","0.0015","90","","90","","90","","2913.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H20 N4 O2 -","- C13 H20 N4 O2 -","- C104 H160 N32 O16 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Mondal, Raju","Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids","Crystal Growth & Design","2009","9","12","5164","","10.1021/cg900559q","","","0.71073","MoKα","","0.075","0.0563","","","0.1394","0.1511","","","","","","1.058","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509647","14.5643","0.0011","11.7978","0.0009","26.4477","0.0019","90","","90","","90","","4544.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","06035","","","- C22 H27 N4 O5 S -","- C22 H27 N4 O5 S -","- C176 H216 N32 O40 S8 -","8","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.041","0.0359","","","0.0951","0.0985","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509649","13.8848","0.0004","12.2852","0.0004","26.8605","0.0009","90","","90","","90","","4581.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 N4 O5 S -","- C24 H27 N4 O5 S -","- C192 H216 N32 O40 S8 -","8","1","","Soegiarto, Airon C.; Ward, Michael D.","Directed Organization of Dye Aggregates in Hydrogen-Bonded Host Frameworks","Crystal Growth & Design","2009","9","8","3803","","10.1021/cg900578u","","","0.71073","MoKα","","0.0648","0.0541","","","0.1353","0.1478","","","","","","1.064","","","","has coordinates,has disorder","179632","2020-10-21","18:00:00",""
"4509682","14.8704","0.0009","15.4414","0.0009","41.659","0.003","90","","90","","90","","9565.7","1.1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C15.5 H12.5 Br4 Cl Cu N0.5 O S4 -","- C15.5 H12.5 Br4 Cl Cu N0.5 O S4 -","- C248 H200 Br64 Cl16 Cu16 N8 O16 S64 -","16","2","","Wang, Yu; Cui, Shuxin; Li, Bo; Zhang, Jingping; Zhang, Yan","Synthesis and Characterization of Monosubstituted TTF and Its Solvent Dependent Mono- and Dication Charge-Transfer Salts","Crystal Growth & Design","2009","9","9","3855","","10.1021/cg900635f","","","0.71073","MoKα","","0.1023","0.048","","","0.0932","0.1109","","","","","","1.002","","","","has coordinates","179632","2020-10-21","18:00:00",""
"4509703","7.376","0.003","18.396","0.007","24.237","0.008","90","","90","","90","","3289","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Ag2 N O4 -","- C19 H12 Ag2 N O4 -","- C152 H96 Ag16 N8 O32 -","8","1","","Yin, Pei-Xiu; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Zhang, Lei; Lin, Qi-Pu; Yao, Yuan-Gen","Supramolecular Isomerism and Various Chain/Layer Substructures in Silver(I) Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2009","9","11","4884","","10.1021/cg9006839","","","0.71073","MoKα","","0.0431","0.037","","","0.0974","0.1021","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509825","12.8509","0.0005","13.0624","0.0005","45.1287","0.0017","90","","90","","90","","7575.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22.15 H18.46 I3.69 N1.85 -","- C22.1538 H18.4615 I3.69231 N1.84615 -","- C288 H240 I48 N24 -","13","1.625","","García, Marcos D.; Blanco, Víctor; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M.","Interplay between Halogen/Hydrogen Bonding and Electrostatic Interactions in 1,1′-Bis(4-iodobenzyl)-4,4′-bipyridine-1,1′-diium Salts","Crystal Growth & Design","2009","9","12","5009","","10.1021/cg901175e","","","0.71073","MoKα","","0.0368","0.0264","","","0.0622","0.0744","","","","","","1.134","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509952","7.3069","0.0011","17.986","0.003","39.263","0.006","90","","90","","90","","5160","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC4F9dibenzphenazine","11,12-bis(perfluorobutyl)-dibenz[a,c]phenazine","","- C28 H10 F18 N2 -","- C28 H10 F18 N2 -","- C224 H80 F144 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0602","0.0536","","","0.1391","0.1487","","","","","","1.065","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509953","7.5302","0.0008","18.595","0.002","45.45","0.005","90","","90","","90","","6364.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC6F13dibenzphenazine","11,12-bis(perfluorohexyl)-dibenz[a,c]phenazine","","- C32 H10 F26 N2 -","- C32 H10 F26 N2 -","- C256 H80 F208 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0378","0.0322","","","0.0771","0.0803","","","","","","1.149","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509962","9.283","0.001","14.248","0.002","37.628","0.004","90","","90","","90","","4976.8","1","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0778","0.0423","","","0.1062","0.1262","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509981","13.123","0.001","20.4789","0.0016","13.487","0.001","90","","90","","90","","3624.6","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C96 H88 Ag8 F48 N40 P8 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0601","0.049","","","0.1551","0.1615","","","","","","1.118","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509989","10.732","0.0011","20.421","0.002","22.125","0.002","90","","90","","90","","4848.9","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cd N6 O7 S -","- C21 H20 Cd N6 O7 S -","- C168 H160 Cd8 N48 O56 S8 -","8","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.074","0.045","","","0.1107","0.1253","","","","","","1.023","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510128","7.5238","0.0009","16.626","0.002","26.574","0.003","90","","90","","90","","3324.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N4 O2 -","- C15 H23 N4 O2 -","- C120 H184 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.121","0.0656","","","0.1553","0.183","","","","","","1.037","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510147","23.7236","0.0009","13.0622","0.0005","29.5079","0.0012","90","","90","","90","","9144","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H34 F8 Fe2 N8 -","- C52 H34 F8 Fe2 N8 -","- C416 H272 F64 Fe16 N64 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0888","0.0498","","","0.1124","0.1306","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510172","7.6105","0.0006","16.907","0.0012","18.8834","0.0014","90","","90","","90","","2429.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0238","","","0.0526","0.0542","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510201","16.2445","0.0011","16.4805","0.0011","25.7372","0.0017","90","","90","","90","","6890.3","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67 H62 Co5 N6 O25 -","- C67 H62 Co5 N6 O25 -","- C268 H248 Co20 N24 O100 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0572","0.0449","","","0.129","0.1385","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510244","18.1","0.0005","23.3079","0.0007","29.0723","0.0011","90","","90","","90","","12264.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C110 H190 Cd4 N20 O19 -","- C110 H188 Cd4 N20 O19 -","- C440 H752 Cd16 N80 O76 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0871","0.0426","","","0.0869","0.1029","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510304","11.2209","0.0004","10.0203","0.0004","18.7351","0.0008","90","","90","","90","","2106.51","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510305","11.2187","0.0002","10.0056","0.0002","18.73","0.0004","90","","90","","90","","2102.44","0.07","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510306","11.20949","0.00018","9.98321","0.00018","18.7137","0.0003","90","","90","","90","","2094.19","0.06","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510307","11.20324","0.00019","9.96483","0.00018","18.7053","0.0004","90","","90","","90","","2088.23","0.07","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510375","8.6664","0.0011","9.7198","0.0012","27.196","0.003","90","","90","","90","","2290.9","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Co N O6 P -","- C9 H12 Co N O6 P -","- C72 H96 Co8 N8 O48 P8 -","8","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0594","0.0378","","","0.087","0.0988","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510466","23.15","0.02","10.354","0.01","29.282","0.01","90","","90","","90","","7019","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O3.5 -","- C18 H19 N2 O3.5 -","- C288 H304 N32 O56 -","16","2","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1908","0.0568","","","0.1316","0.1639","","","","","","0.923","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4510541","7.018","0.0002","11.8624","0.0004","31.332","0.001","90","","90","","90","","2608.4","0.14","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0317","0.0317","","","0.0384","0.0384","","","","","","1.828","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510544","6.978","0.001","11.921","0.002","29.198","0.006","90","","90","","90","","2428.8","0.7","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","MoKα","","0.0248","0.0248","","","0.0305","0.0305","","","","","","1.36","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510566","8.394","0.002","11.176","0.003","18.168","0.005","90","","90","","90","","1704.4","0.8","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C64 H72 N8 O8 S8 -","8","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0723","0.0448","","","0.1058","0.1194","","","","","","1.036","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510620","16.04","0.003","20.284","0.004","26.321","0.006","90","","90","","90","","8564","3","100","2","100","2","","","","","","","Will Stoate","5","P b c a","-P 2ac 2ab","61","Anti-1a:EtOH","","","- C16 H28 B10 N2 O3 -","- C16 H28 B10 N2 O3 -","- C256 H448 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71075","MoKα","","0.1382","0.1264","","","0.2439","0.2499","","","","","","1.35","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510780","8.6135","0.00016","10.56801","0.00019","25.8505","0.0005","90","","90","","90","","2353.11","0.08","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","1.54187","CuKα","","","0.0439","","","","0.1128","","","","","","1.063","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510805","8.7529","0.0004","9.5545","0.0004","39.9926","0.0017","90","","90","","90","","3344.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0403","0.0354","","","0.0925","0.096","","","","","","1.073","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510838","14.9645","0.0001","14.1657","0.0001","15.9196","0.0001","90","","90","","90","","3374.68","0.04","293","2","293","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl2 N2 Ru -","- C17 H22 Cl2 N2 Ru -","- C136 H176 Cl16 N16 Ru8 -","8","1","","Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian","Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand","ACS Catalysis","2012","2","10","2087","","10.1021/cs300369j","","","1.54184","CuKα","","0.0218","0.0208","","","0.055","0.0556","","","","","","1.035","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510943","5.898","0.004","14.913","0.013","14.979","0.013","90","","90","","90","","1317.5","1.9","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H5 F3 -","- C7 H5 F3 -","- C56 H40 F24 -","8","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0901","0.0799","","","0.2164","0.2225","","","","","","1.146","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510987","9.5912","0.0019","15.983","0.003","24.334","0.005","90","","90","","90","","3730.3","1.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(2-hydroxyl-pyridine-n-oxide)Zinc-2,2'-bipyridine","","- C20 H16 N4 O4 Zn -","- C20 H16 N4 O4 Zn -","- C160 H128 N32 O32 Zn8 -","8","1","","Ma, Zhenbo; Hopson, Russell; Cai, Chen; Han, Shuangbing; Moulton, Brian","Modifying Lipophilicities of Zn(II) Coordination Species by Introduction of Ancillary Ligands: A Supramolecular Chemistry Approach","Crystal Growth & Design","2010","10","5","2376","","10.1021/cg100192z","","","0.71073","MoKα","","0.0308","0.027","","","0.0735","0.0756","","","","","","1.053","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511025","19.27","0.003","19.906","0.003","25.249","0.003","90","","90","","90","","9685","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2:3 co-crystal Form I of Trimesic acid and 1,2-bis(4-pyridyl)ethane","2:3 co-crystal Form I of Benzene-1,3,5-tricarboxylic acid and 1,2-bis(4-pyridyl)ethane","","- C54 H48 N6 O12 -","- C54 H48 N6 O12 -","- C432 H384 N48 O96 -","8","1","","Weyna, David R.; Shattock, Tanise; Vishweshwar, Peddy; Zaworotko, Michael J.","Synthesis and Structural Characterization of Cocrystals and Pharmaceutical Cocrystals: Mechanochemistry vs Slow Evaporation from Solution","Crystal Growth & Design","2009","9","2","1106","","10.1021/cg800936d","","","0.71073","MoKα","","0.0915","0.0557","","","0.1262","0.1548","","","","","","1.062","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511028","9.2355","0.0011","22.702","0.003","24.698","0.003","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H32 N2 O9 -","- C27 H32 N2 O9 -","- C216 H256 N16 O72 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Guo, Wei; Fu, Xiao-Juan","Multi-Component Hydrogen-Bonding Assembly of a Pharmaceutical Agent Pamoic Acid with Piperazine or 4,4′-Bipyridyl: A Channel Hydrated Salt with Multiple-Helical Motifs vs a Bimolecular Cocrystal","Crystal Growth & Design","2009","9","4","1655","","10.1021/cg801393a","","","0.71073","MoKα","","0.0532","0.0374","","","0.0964","0.1055","","","","","","1.065","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511048","14.5596","0.001","13.184","0.0009","17.4423","0.0013","90","","90","","90","","3348.1","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C128 H112 Cu16 N48 -","8","1","","Hu, Mei-Hong; Shen, Gui-Lan; Zhang, Jing-Xiang; Yin, Ye-Gao; Li, Dan","New Copper Coordination Polymers Derived fromp- ando-BIMB via Different Reaction Approaches: Toward the Effects of Isomeric Ligands (BIMB = Bis-(imidazol-1-ylmethyl)benzene)","Crystal Growth & Design","2009","9","10","4533","","10.1021/cg900547b","","","0.71073","MoKα","","0.0474","0.0329","","","0.0766","0.0823","","","","","","1.039","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511066","13.2087","0.0015","13.0913","0.0015","26.916","0.003","90","","90","","90","","4654.3","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 Cd N2 O5 -","- C12 H7 Cd N2 O5 -","- C96 H56 Cd8 N16 O40 -","8","1","","Xue, Ming; Zhu, Guangshan; Ding, Hong; Wu, Lei; Zhao, Xiaojun; Jin, Zhao; Qiu, Shilun","Six Three-Dimensional Metal−Organic Frameworks with (3,4)-, (4,5)-, and (3,4,5)-Connected Nets Based on Mixed Ligands: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2009","9","3","1481","","10.1021/cg8009546","","","0.71073","MoKα","","0.0751","0.0625","","","0.1658","0.1763","","","","","","1.005","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511116","10.35","0.002","13.54","0.005","27.867","0.007","90","","90","","90","","3905.3","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Co N4 O4 -","- C19 H20 Co N4 O4 -","- C152 H160 Co8 N32 O32 -","8","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Wei, Guo-Hua","1D, 2D, and 3D Metal−Organic Frameworks Based on Bis(imidazole) Ligands and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2009","9","11","4660","","10.1021/cg900460k","","","0.71069","MoKα","","0.0565","0.037","","","0.084","0.091","","","","","","1.048","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511131","18.1048","0.0014","10.3065","0.0008","26.212","0.002","90","","90","","90","","4891.1","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cu2 N8 S2 -","- C26 H17 Cu2 N8 S2 -","- C208 H136 Cu16 N64 S16 -","8","1","","Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong","Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands","Crystal Growth & Design","2009","9","11","4626","4633","10.1021/cg900079p","","","0.71073","MoKα","","0.0975","0.0544","","","0.1202","0.1426","","","","","","1.056","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511211","7.939","0.005","8.809","0.004","18.406","0.011","90","","90","","90","","1287.2","1.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1213","0.0881","","","0.2434","0.2695","","","","","","1.147","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511212","7.897","0.004","8.786","0.004","18.235","0.009","90","","90","","90","","1265.2","1.1","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0854","0.0581","","","0.1311","0.1465","","","","","","1.08","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511213","7.868","0.003","8.766","0.003","18.138","0.008","90","","90","","90","","1251","0.8","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0731","0.0566","","","0.1633","0.1712","","","","","","1.03","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511308","11.4666","0.0007","15.5694","0.0009","22.2113","0.0013","90","","90","","90","","3965.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Br2 N2 O2 S -","- C20 H16 Br2 N2 O2 S -","- C160 H128 Br16 N16 O16 S8 -","8","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0344","0.0241","","","0.0589","0.064","","","","","","1.031","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511385","11.7447","0.0011","21.5208","0.0019","28.109","0.003","90","","90","","90","","7104.7","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H33 Cd N5 O10 -","- C37 H33 Cd N5 O10 -","- C296 H264 Cd8 N40 O80 -","8","1","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0767","0.0547","","","0.1057","0.1136","","","","","","1.089","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511464","10.1747","0.0016","6.8415","0.0009","23.881","0.002","90","","90","","90","","1662.4","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","silver(I) imidazolate","","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C48 H48 Ag16 N32 -","16","2","","Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming","One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations","Crystal Growth & Design","2006","6","5","1194","","10.1021/cg060048+","","","0.71073","MoKα","","0.0354","0.0272","","","0.0627","0.067","","","","","","1.064","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511512","17.7817","0.0008","9.9732","0.0004","20.6967","0.0009","90","","90","","90","","3670.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Cd3 N34 -","- C16 H32 Cd3 N34 -","- C64 H128 Cd12 N136 -","4","0.5","","Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin","Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions","Crystal Growth & Design","2006","6","9","2126","","10.1021/cg060359k","","","0.71073","MoKα","","0.0412","0.0384","","","0.0975","0.0998","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511536","12.5299","0.0008","12.7797","0.0007","19.9032","0.0013","90","","90","","90","","3187.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Br3 N2 S Sn -","- C12 H9 Br3 N2 S Sn -","- C96 H72 Br24 N16 S8 Sn8 -","8","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.1358","0.0549","","","0.0634","0.0799","","","","","","0.984","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511724","12.8475","0.0012","8.1256","0.0005","14.3082","0.0013","90","","90","","90","","1493.7","0.2","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","paraldehyde","2,4,6-trimethyl-1,3,5-trioxane","","- C6 H12 O3 -","- C6 H12 O3 -","- C48 H96 O24 -","8","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0468","0.0328","","","0.0868","0.0985","","","","","","1.068","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511729","15.1861","0.0019","10.2844","0.0012","16.0453","0.0019","90","","90","","90","","2506","0.5","140","2","140","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1,5-Diphenyl)-pent-4-en-2-yn-1-one","","- C17 H12 O -","- C17 H12 O -","- C136 H96 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0645","0.0423","","","0.0844","0.0998","","","","","","1.014","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511766","8.5613","0.0006","15.6676","0.0009","32.2872","0.0019","90","","90","","90","","4330.8","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C160 H176 N48 O32 S8 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0848","0.0588","","","0.1747","0.1923","","","","","","1.212","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511854","15.1823","0.0011","7.801","0.0006","31.418","0.002","90","","90","","90","","3721.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cu N2 O7 -","- C21 H16 Cu N2 O7 -","- C168 H128 Cu8 N16 O56 -","8","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.089","0.0406","","","0.0946","0.1389","","","","","","1.001","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511874","16.3369","0.0012","7.4739","0.0006","22.5773","0.0017","90","","90","","90","","2756.7","0.4","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0983","0.0661","","","0.1446","0.168","","","","","","1.063","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511875","16.1474","0.0008","7.2794","0.0004","22.4687","0.0011","90","","90","","90","","2641","0.2","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0488","0.0444","","","0.1179","0.1225","","","","","","1.069","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4512083","13.6576","0.0004","16.2552","0.0005","16.3334","0.0005","90","","90","","90","","3626.13","0.19","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Br Cu N S2 -","- C17 H19 Br Cu N S2 -","- C136 H152 Br8 Cu8 N8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0278","0.02","","","0.046","0.0483","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512135","16.9424","0.0005","7.4436","0.0002","18.1452","0.0006","90","","90","","90","","2288.34","0.12","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.0585","0.0363","","","0.0919","0.0996","","","","","","1.017","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512230","15.5935","0.0009","20.9498","0.0013","24.3944","0.0014","90","","90","","90","","7969.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H92 Cl4 Cu4 N12 O32 -","- C66 H92 Cl4 Cu4 N12 O32 -","- C264 H368 Cl16 Cu16 N48 O128 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.173","0.0733","","","0.1581","0.1924","","","","","","1.034","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512232","15.6239","0.0016","20.84","0.002","24.643","0.003","90","","90","","90","","8023.8","1.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H88 Cl4 Cu4 N12 O32 S2 -","- C64 H80 Cl4 Cu4 N12 O32 S2 -","- C256 H320 Cl16 Cu16 N48 O128 S8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.1514","0.0971","","","0.2443","0.2725","","","","","","1.103","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512266","17.0348","0.0011","8.4649","0.0005","20.0674","0.0011","90","","90","","90","","2893.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Co3 O30 -","- C12 H36 Co3 O30 -","- C48 H144 Co12 O120 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0835","0.0398","","","0.0587","0.0669","","","","","","0.986","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512268","16.9667","0.0009","8.4375","0.0004","19.9676","0.0009","90","","90","","90","","2858.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Ni3 O30 -","- C12 H36 Ni3 O30 -","- C48 H144 Ni12 O120 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0799","0.0437","","","0.0698","0.0778","","","","","","1.007","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512271","19.4561","0.001","12.511","0.0006","21.4202","0.0011","90","","90","","90","","5214","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H26 Cu2 K2 O25 -","- C12 H25.42 Cu2 K2 O25 -","- C96 H203.36 Cu16 K16 O200 -","8","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.7749","synchrotron","","0.0389","0.0345","","","0.0928","0.0952","","","","","","1.077","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512393","17.1748","0.001","14.8738","0.0009","17.6476","0.001","90","","90","","90","","4508.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cu I O3 S2 -","- C21 H26 Cu I O3 S2 -","- C168 H208 Cu8 I8 O24 S16 -","8","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0875","0.0602","","","0.1391","0.1587","","","","","","1.09","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512461","23.711","","24.389","","25.303","","90","","90","","90","","14632.4","","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H61 La2 Mn N6 O53 V13 -","- C18 H42 La2 Mn N6 O53 V13 -","- C144 H336 La16 Mn8 N48 O424 V104 -","8","1","","Liu, Ding; Lu, Ying; Tan, Hua-Qiao; Wang, Ting-Ting; Wang, En-Bo","Series of Organic‒Inorganic Hybrid Rare Earth Derivatives Based on [MnV13O38]7‒Polyoxoanion: Syntheses, Structures, and Magnetic and Electrochemical Properties","Crystal Growth & Design","2015","15","1","103","","10.1021/cg500955d","","","0.71073","MoKα","","0.0831","0.0567","","","0.1584","0.1772","","","","","","0.994","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512527","13.0605","0.0009","16.4911","0.0012","16.6975","0.0011","90","","90","","90","","3596.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cu N7 O6 -","- C15 H19 Cu N7 O6 -","- C120 H152 Cu8 N56 O48 -","8","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.0867","0.0503","","","0.1284","0.1583","","","","","","1.077","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512614","14.5503","0.0005","11.3288","0.0003","34.785","0.0013","90","","90","","90","","5733.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H52 Cl4 Cu2 N14 O16 -","- C52 H52 Cl4 Cu2 N14 O16 -","- C208 H208 Cl16 Cu8 N56 O64 -","4","0.5","","Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong","Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors","Crystal Growth & Design","2015","15","2","625","","10.1021/cg501306n","","","0.71073","MoKα","","0.1055","0.084","","","0.2117","0.2259","","","","","","1.049","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512693","27.226","0.004","20.765","0.003","31.191","0.004","90","","90","","90","","17634","4","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41.5 H37.5 Cl1.5 N5 O8 S2 -","- C41.5 H37.5 Cl1.5 N5 O8 S2 -","- C664 H600 Cl24 N80 O128 S32 -","16","2","","Berryman, Orion B.; Johnson, 2nd, Charles A; Vonnegut, Chris L.; Fajardo, Kevin A.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene.","Crystal growth & design","2015","15","3","1502","1511","10.1021/cg5018856","","","0.71073","MoKα","","0.1251","0.0782","","","0.2096","0.2351","","","","","","1.025","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4512717","8.9805","0.0007","12.9269","0.001","32.531","0.002","90","","90","","90","","3776.5","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19.75 Cl2 Cu N4 O2 -","- C18 H19.75 Cl2 Cu N4 O2 -","- C144 H158 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.1257","0.0674","","","0.1163","0.1278","","","","","","1.158","","","","has coordinates,has disorder","179675","2020-10-21","18:00:00",""
"4512719","8.4622","0.0007","14.4899","0.0013","32.093","0.003","90","","90","","90","","3935.1","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>Bis(thiocyananato-κ<i>N</i>)bis(8-aminoquinoline-κ^2^ <i>N,N'</i>)manganese(II)","","- C20 H16 Mn N6 S2 -","- C20 H16 Mn N6 S2 -","- C160 H128 Mn8 N48 S16 -","8","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.051","0.036","","","0.0835","0.0936","","","","","","1.033","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512728","11.8212","0.0009","7.5692","0.0006","30.657","0.002","90","","90","","90","","2743.1","0.4","145","2","145","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.","Cocrystallization of 2,3-Dihydroxynaphthalene with Itspara-,meta-, andortho-Ditoluates: Insight into Cocrystal Formation and Clues for the Construction of Supramolecular Assemblies Capable of Intermolecular Acyl Group Transfer Reactivity","Crystal Growth & Design","2015","15","3","1226","","10.1021/cg501620g","","","0.71073","MoKα","","0.1154","0.0931","","","0.1959","0.2074","","","","","","1.154","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512734","7.5717","0.0002","21.0577","0.0005","36.3949","0.0009","90","","90","","90","","5802.9","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Mn N10 O3 S2 -","- C26 H22 Mn N10 O3 S2 -","- C208 H176 Mn8 N80 O24 S16 -","8","1","","Servati-Gargari, Masoumeh; Mahmoudi, Ghodrat; Batten, Stuart R.; Stilinović, Vladimir; Butler, Derek; Beauvais, Laurance; Kassel, William Scott; Dougherty, William G.; VanDerveer, Donald","Control of Interpenetration in Two-Dimensional Metal‒Organic Frameworks by Modification of Hydrogen Bonding Capability of the Organic Bridging Subunits","Crystal Growth & Design","2015","15","3","1336","","10.1021/cg501741r","","","0.71073","MoKα","","0.0772","0.0435","","","0.0981","0.1105","","","","","","1.018","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512848","12.2113","0.0006","8.9422","0.0005","19.5495","0.0011","90","","90","","90","","2134.7","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0665","0.04","","","0.0715","0.0771","","","","","","1.039","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512952","8.4187","0.0004","20.3266","0.0011","33.448","0.0016","90","","90","","90","","5723.7","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 Cd N4 O4 -","- C35 H24 Cd N4 O4 -","- C280 H192 Cd8 N32 O32 -","8","1","","Chen, Min-Min; Zhou, Xuan; Li, Hong-Xi; Yang, Xiao-Xi; Lang, Jian-Ping","Luminescent Two-Dimensional Coordination Polymer for Selective and Recyclable Sensing of Nitroaromatic Compounds with High Sensitivity in Water","Crystal Growth & Design","2015","15","6","2753","","10.1021/acs.cgd.5b00095","","","0.71073","MoKα","","0.0416","0.0281","","","0.0603","0.0649","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512980","6.8666","0.0008","11.9826","0.0011","35.436","0.003","90","","90","","90","","2915.7","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 Cl Hg N3 O -","- C11 H8 Br2 Cl Hg N3 O -","- C88 H64 Br16 Cl8 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza","Halogen Bonding Synthon Modularity in Coordination Compounds","Crystal Growth & Design","2015","15","6","2579","","10.1021/acs.cgd.5b00282","","","0.71073","MoKα","","0.091","0.0871","","","0.1782","0.1921","","","","","","1.14","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513063","17.9734","0.00043","17.21788","0.0004","7.95298","0.00035","90","","90","","90","","2461.16","0.14","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-bis-cu(i)","","- C11 H14 Cu2 N4 -","- C11 H14 Cu2 N4 -","- C88 H112 Cu16 N32 -","8","1","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","137779","2020-10-21","18:00:00",""
"4513136","13.7193","0.0004","51.6467","0.002","7.43071","0.0002","90","","90","","90","","5265.1","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","benperidol benzyl alcohol solvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one benzyl alcohol solvate","","- C29 H32 F N3 O3 -","- C29 H32 F N3 O3 -","- C232 H256 F8 N24 O24 -","8","1","","Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris","Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates","Crystal Growth & Design","2015","15","5","2337","","10.1021/acs.cgd.5b00138","powder diffraction","","1.54184","CuKα","","0.0787","","","","","","","","4.57","","","","","","","has coordinates","137836","2020-10-21","18:00:00",""
"4513347","5.9801","0.0001","21.5852","0.0006","30.3091","0.0009","90","","90","","90","","3912.35","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Methyl-4-phenyl-2,3,3a,4-terahydro-chromeno[4,3-c]pyrazol-3-yl)-phenol","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Kupcewicz, Bogumiła; Małecka, Magdalena","Role of Crystal Packing and Weak Intermolecular Interactions in the Solid State Fluorescence ofN-Methylpyrazoline Derivatives","Crystal Growth & Design","2015","15","8","3893","","10.1021/acs.cgd.5b00512","","","1.54184","CuKα","","0.0435","0.0354","","","0.0909","0.0976","","","","","","0.945","","","","has coordinates","154565","2020-10-21","18:00:00",""
"4513453","7.6989","0.0006","27.8771","0.0014","34.694","0.003","90","","90","","90","","7446.1","0.9","295","2","295.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C49 H31 N11 O -","- C46 H24 N10 -","- C368 H192 N80 -","8","1","","Lü, Jian; Han, Li-Wei; Alsmail, Nada H.; Blake, Alexander J.; Lewis, William; Cao, Rong; Schröder, Martin","Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.","Crystal growth & design","2015","15","9","4219","4224","10.1021/acs.cgd.5b00395","","","0.71073","MoKα","","0.1629","0.0757","","","0.1596","0.1928","","","","","","0.972","","","","has coordinates","170054","2020-10-21","18:00:00",""
"4513469","14.037","0.0008","16.2988","0.0006","16.698","0.0007","90","","90","","90","","3820.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N6 O2 S -","- C18 H20 N6 O2 S -","- C144 H160 N48 O16 S8 -","8","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.1046","0.0578","","","0.1183","0.1384","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513545","22.8411","0.0009","12.5825","0.0005","22.9745","0.001","90","","90","","90","","6602.8","0.5","250","2","250","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H12 Ag F6 N4 S6 Sb -","- C28 H12 Ag F6 N4 S6 Sb -","- C224 H96 Ag8 F48 N32 S48 Sb8 -","8","1","","Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D.","Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations","Crystal Growth & Design","2015","15","9","4377","","10.1021/acs.cgd.5b00698","","","0.71073","MoKα","","0.0855","0.0477","","","0.0929","0.0968","","","","","","1.74","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513595","5.3132","0.0006","10.6916","0.0015","16.268","0.002","90","","90","","90","","924.1","0.2","165","2","165","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pyrrolidine - HT phase at 165K","Pyrrolidine - high temperature phase at 165K","","- C4 H9 N -","- C4 H9 N -","- C32 H72 N8 -","8","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0556","0.0502","","","0.1356","0.1405","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513596","5.3112","0.0005","10.7769","0.0013","16.432","0.002","90","","90","","90","","940.54","0.18","207","2","207","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pyrrolidine - HT phase at 207K","Pyrrolidine - high temperature phase at 207K","","- C4 H9 N -","- C4 H9 N -","- C32 H72 N8 -","8","1","","Dobrzycki, Lukasz; Taraszewska, Paulina; Boese, Roland; Cyrański, Michał K.","Pyrrolidine and Its Hydrates in the Solid State","Crystal Growth & Design","2015","15","10","4804","","10.1021/acs.cgd.5b00527","","","0.71073","MoKα","","0.0701","0.0551","","","0.1403","0.1532","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513679","11.77","0.005","16.605","0.005","35.069","0.005","90","0.005","90","0.005","90","0.005","6854","4","290","2","290","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H38 Cl3 N P2 Pd S -","- C32 H38 Cl3 N P2 Pd S -","- C256 H304 Cl24 N8 P16 Pd8 S8 -","8","1","","Sui, Xuelin; Dai, Shengyu; Chen, Changle","Ethylene Polymerization and Copolymerization with Polar Monomers by Cationic Phosphine Phosphonic Amide Palladium Complexes","ACS Catalysis","2015","5","10","5932","","10.1021/acscatal.5b01490","","","0.71073","MoKα","","0.0847","0.0505","","","0.1446","0.176","","","","","","1.096","","","","has coordinates","169971","2020-10-21","18:00:00",""
"4513751","13.5231","0.0009","13.1489","0.0009","19.3467","0.0014","90","","90","","90","","3440.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ken4-153-9","toste82","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C176 H152 F8 N16 O8 -","8","1","","Hiramatsu, Kenichi; Honjo, Takashi; Rauniyar, Vivek; Toste, F. Dean","Enantioselective Synthesis of Fluoro-Dihydroquinazolones and -Benzooxazinones by Fluorination-Initiated Asymmetric Cyclization Reactions.","ACS catalysis","2015","6","1","151","154","10.1021/acscatal.5b02182","","","1.54178","CuKα","","0.0371","0.0369","","","0.0946","0.0948","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513758","19.0615","0.0017","9.325","0.0008","20.7194","0.0018","90","","90","","90","","3682.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F3 N O -","- C22 H20 F3 N O -","- C176 H160 F24 N8 O8 -","8","1","","Yu, Liu-Zhu; Xu, Qin; Tang, Xiang-Yiang; Shi, Min","Iron- or Copper-Catalyzed Trifluoromethylation of Acrylamide-Tethered Alkylidenecyclopropanes: Facile Synthesis of CF3-Containing Polycyclic Benzazepine Derivatives","ACS Catalysis","2016","6","2","526","","10.1021/acscatal.5b02400","","","0.71073","MoKα","","0.0611","0.0458","","","0.121","0.1314","","","","","","1.039","","","","has coordinates,has disorder","177388","2020-10-21","18:00:00",""
"4513776","19.6256","0.0012","13.0146","0.0007","25.6519","0.0017","90","","90","","90","","6552","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 F6 N3 P -","- C37 H28 F6 N3 P -","- C296 H224 F48 N24 P8 -","8","1","","Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta","Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules","ACS Catalysis","2015","","","709","","10.1021/acscatal.5b02540","","","0.71073","MoKα","","0.1608","0.0927","","","0.2599","0.3079","","","","","","1.034","","","","has coordinates","171799","2020-10-21","18:00:00",""
"4513781","6.9469","0.001","15.845","0.002","20.914","0.003","90","","90","","90","","2302.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Zhou, Xukai; Yu, Songjie; Kong, Lingheng; Li, Xingwei","Rhodium(III)-Catalyzed Coupling of Arenes with Cyclopropanols via C‒H Activation and Ring Opening","ACS Catalysis","2016","6","2","647","","10.1021/acscatal.5b02414","","","0.71073","MoKα","","0.0811","0.0613","","","0.1448","0.1557","","","","","","1.091","","","","has coordinates","177390","2020-10-21","18:00:00",""
"4513843","16.0418","0.0006","20.9445","0.0008","23.0959","0.001","90","","90","","90","","7759.9","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H5 B F20 Fe2 O6 S2 -","- C36 H5 B F20 Fe2 O6 S2 -","- C288 H40 B8 F160 Fe16 O48 S16 -","8","1","","Liu, Yu-Chiao; Chu, Kai-Ti; Huang, Yi-Lan; Hsu, Cheng-Huey; Lee, Gene-Hsiang; Tseng, Mei-Chun; Chiang, Ming-Hsi","Protonation/Reduction of Carbonyl-Rich Diiron Complexes and the Direct Observation of Triprotonated Species: Insights into the Electrocatalytic Mechanism of Hydrogen Formation","ACS Catalysis","2016","6","4","2559","","10.1021/acscatal.5b02646","","","0.71073","MoKα","","0.0902","0.0644","","","0.1245","0.1346","","","","","","1.148","","","","has coordinates","181413","2020-10-21","18:00:00",""
"4513891","17.0441","0.001","17.1344","0.0005","26.8405","0.0015","90","","90","","90","","7838.5","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F12 N8 O8 S4 Si2 -","- C20 H36 F6 N7 O4 S2 Si2 -","- C160 H288 F48 N56 O32 S16 Si16 -","8","1","","von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.","Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs","ACS Catalysis","2016","","","4526","","10.1021/acscatal.6b00421","","","0.71073","MoKα","","0.0915","0.0673","","","0.1904","0.2053","","","","","","0.964","","","","has coordinates","183482","2020-10-21","18:00:00",""
"4513916","8.7284","0.0017","19.229","0.004","27.468","0.006","90","","90","","90","","4610.2","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C208 H256 N16 O8 -","8","1","","Zheng, Sichao; Zhong, Shufang; Chen, Zhipeng; Chen, Wenhua; Zhu, Qiuhua","Efficient Synthesis of a Series of Novel Octahydroquinazoline-5-ones via a Simple on-Water Urea-Catalyzed Chemoselective Five-Component Reaction.","ACS combinatorial science","2016","18","8","475","481","10.1021/acscombsci.6b00038","","","0.71073","MoKα","","0.071","0.0519","","","0.1716","0.192","","","","","","1.121","","","","has coordinates","186251","2020-10-21","18:00:00",""
"4513982","8.463","0.0019","20.965","0.008","35.984","0.012","90","","90","","90","","6385","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(pentamethylcyclopentadienyl)(triphenylphosphinimido) titanium dichloride benzene solvate","","- C34 H36 Cl2 N P Ti -","- C34 H36 Cl2 N P Ti -","- C272 H288 Cl16 N8 P8 Ti8 -","8","1","","Ehm, Christian; Cipullo, Roberta; Passaro, Miriana; Zaccaria, Francesco; Budzelaar, Peter H. M.; Busico, Vincenzo","Chain Transfer to Solvent in Propene Polymerization with Ti Cp-phosphinimide Catalysts: Evidence for Chain Termination via Ti‒C Bond Homolysis","ACS Catalysis","2016","","","7989","","10.1021/acscatal.6b02738","","","0.71073","MoKα","","0.0885","0.049","","","0.1007","0.115","","","","","","1.049","","","","has coordinates","187627","2020-10-21","18:00:00",""
"4513997","10.2112","0.0007","7.7666","0.0005","27.5135","0.0019","90","","90","","90","","2182","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","","Potter, Tyler J.; Kamber, David N.; Mercado, Brandon Q.; Ellman, Jonathan A.","Rh(III)-Catalyzed Aryl and Alkenyl C‒H Bond Addition to Diverse Nitroalkenes","ACS Catalysis","2016","","","150","","10.1021/acscatal.6b03217","","","1.54178","CuKα","","0.0302","0.0292","","","0.0727","0.0735","","","","","","1.07","","","","has coordinates","189523","2020-10-21","18:00:00",""
"4514027","16.5344","0.0008","9.4279","0.0005","20.9981","0.0012","90","","90","","90","","3273.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","","Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu","Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)‒H Bonds with Azodiformates via Bidentate-Chelation Assistance","ACS Catalysis","2017","7","3","2042","","10.1021/acscatal.6b03621","","","1.54178","CuKα","","0.0563","0.0465","","","0.1339","0.1437","","","","","","0.982","","","","has coordinates","193397","2020-10-21","18:00:00",""
"4514058","17.2037","0.0018","14.6522","0.0017","19.066","0.002","90","","90","","90","","4806","0.9","299.72","","299.72","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B Mn N O2 P2 -","- C18 H41 B Mn N O2 P2 -","- C144 H328 B8 Mn8 N8 O16 P16 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0563","0.0357","","","0.0875","0.0988","","","","","","1.015","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514081","10.7476","0.0001","15.4502","0.0002","35.31","0.0006","90","","90","","90","","5863.32","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F6 Ir N6 P -","- C30 H26 F6 Ir N6 P -","- C240 H208 F48 Ir8 N48 P8 -","8","1","","Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.","ACS applied materials & interfaces","2017","9","15","13304","13314","10.1021/acsami.7b01735","","","1.54178","CuKα","","0.0324","0.0289","","","0.069","0.0707","","","","","","1.091","","","","has coordinates","196105","2020-10-21","18:00:00",""
"4514082","10.9606","0.0007","15.2789","0.0012","34.871","0.002","90","","90","","90","","5839.7","0.7","285.94","0.1","285.94","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F6 Ir N6 P S2 -","- C26 H22 F6 Ir N6 P S2 -","- C208 H176 F48 Ir8 N48 P8 S16 -","8","1","","Chen, Mu-He; Wang, Fang-Xin; Cao, Jian-Jun; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Light-Up Mitophagy in Live Cells with Dual-Functional Theranostic Phosphorescent Iridium(III) Complexes.","ACS applied materials & interfaces","2017","9","15","13304","13314","10.1021/acsami.7b01735","","","1.54178","CuKα","","0.0304","0.0251","","","0.0601","0.0646","","","","","","1.054","","","","has coordinates","196105","2020-10-21","18:00:00",""
"4514089","19.206","0.0009","15.8073","0.0007","19.2815","0.0009","90","","90","","90","","5853.8","0.5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Co N4 -","- C38 H34 Co N4 -","- C304 H272 Co8 N32 -","8","1","","Maher, Andrew G.; Passard, Guillaume; Dogutan, Dilek K.; Halbach, Robert L.; Anderson, Bryce L.; Gagliardi, Christopher J.; Taniguchi, Masahiko; Lindsey, Jonathan S.; Nocera, Daniel G.","Hydrogen Evolution Catalysis by a Sparsely Substituted Cobalt Chlorin","ACS Catalysis","2017","","","3597","","10.1021/acscatal.7b00969","","","0.71073","MoKα","","0.0649","0.0386","","","0.09","0.102","","","","","","1.023","","","","has coordinates","195654","2020-10-21","18:00:00",""
"4514134","17.784","0.0019","7.5472","0.0008","25.281","0.003","90","","90","","90","","3393.2","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","1","","Butler, Tristan; Mathew, Alexander S.; Sabat, Michal; Fraser, Cassandra L.","Camera Method for Monitoring a Mechanochromic Luminescent β-Diketone Dye with Rapid Recovery.","ACS applied materials & interfaces","2017","9","20","17603","17612","10.1021/acsami.7b01985","","","0.71073","MoKα","","0.0741","0.0475","","","0.1258","0.1467","","","","","","1.056","","","","has coordinates","197202","2020-10-21","18:00:00",""
"4514136","8.539","0.0002","15.0653","0.0004","32.9272","0.0009","90","","90","","90","","4235.84","0.19","270","2","270","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl N3 O P Ru -","- C19 H27 Cl N3 O P Ru -","- C152 H216 Cl8 N24 O8 P8 Ru8 -","8","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","1.54178","CuKα","","0.0534","0.052","","","0.1367","0.1373","","","","","","1.022","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514170","17.0978","0.0005","15.1411","0.0005","22.9374","0.0007","90","","90","","90","","5938","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cl Co N4 O4 -","- C34 H30 Cl Co N4 O4 -","- C272 H240 Cl8 Co8 N32 O32 -","8","1","","Somekh, Miriam; Cohen, Hagai; Diskin-Posner, Yael; Shimon, Linda J. W.; Carmieli, Raanan; Rosenberg, Jeffrey N.; Neumann, Ronny","Formation of Alkanes by Aerobic Carbon‒Carbon Bond Coupling Reactions Catalyzed by a Phosphovanadomolybdic Acid","ACS Catalysis","2017","","","2725","","10.1021/acscatal.7b00461","","","0.71073","MoKα","","0.039","0.0294","","","0.073","0.0801","","","","","","1.032","","","","has coordinates","198935","2020-10-21","18:00:00",""
"4514186","10.6055","0.0004","14.1632","0.0005","20.1734","0.0008","90","","90","","90","","3030.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5'-amino-1,2'-dimethyl-1',2,3'-trioxo-1',2',3',7a'-tetrahydrospiro [indoline-3,7'-pyrrolo[1,2-<i>c</i>]imidazole]-6'-carbonitrile","","- C16 H13 N5 O3 -","- C16 H13 N5 O3 -","- C128 H104 N40 O24 -","8","1","","Rajarathinam, Balakrishnan; Kumaravel, Kandhasamy; Vasuki, Gnanasambandam","""In Water"": Organocatalyzed Diastereoselective Multicomponent Reactions toward 2-Azapyrrolizidine Alkaloid Scaffolds.","ACS combinatorial science","2017","19","7","455","463","10.1021/acscombsci.7b00038","","","0.7107","MoKα","","0.1072","0.0532","","","0.1116","0.1354","","","","","","1.018","","","","has coordinates","200225","2020-10-21","18:00:00",""
"4514187","15.4176","0.0016","11.3505","0.0012","20.247","0.002","90","","90","","90","","3543.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Yang; Hu, Ming; Li, Jin-Heng","Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones","ACS Catalysis","2017","7","10","6757","","10.1021/acscatal.7b02061","","","0.71073","MoKα","","0.0713","0.0421","","","0.0979","0.1124","","","","","","1.024","","","","has coordinates","202645","2020-10-21","18:00:00",""
"4514207","15.8414","0.0002","14.5592","0.0002","24.0253","0.0004","90","","90","","90","","5541.15","0.14","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 F6 Ir N3 O8 S2 -","- C21 H26 F6 Ir N3 O8 S2 -","- C168 H208 F48 Ir8 N24 O64 S16 -","8","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0287","","","","0.0528","","","","","","1.069","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514218","7.1369","0.0003","13.1737","0.0007","35.7724","0.0017","90","","90","","90","","3363.3","0.3","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H6 F8 S2 -","- C20 H6 F8 S2 -","- C160 H48 F64 S16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0567","0.0419","","","0.0851","0.0898","","","","","","1.143","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514236","17.451","0.004","19.304","0.005","20.241","0.005","90","","90","","90","","6819","3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Fe O P S -","- C42 H41 Fe O P S -","- C336 H328 Fe8 O8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0804","0.0458","","","0.1226","0.1491","","","","","","0.94","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514357","9.92477","0.00006","18.1707","0.00013","27.0531","0.00016","90","","90","","90","","4878.76","0.05","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Br N2 O -","- C30 H27 Br N2 O -","- C240 H216 Br8 N16 O8 -","8","1","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","1.54187","CuKα","","0.0281","0.0272","","","0.0785","0.0793","","","","","","1.054","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514398","20.2301","0.0017","28.431","0.002","43.025","0.003","90","","90","","90","","24746","3","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C87 H190 N3 O38 P Si3 Ti W9 -","- C87 H190 N3 O38 P Si3 Ti W9 -","- C696 H1520 N24 O304 P8 Si24 Ti8 W72 -","8","1","","Zhang, Teng; Mazaud, Louis; Chamoreau, Lise-Marie; Paris, Céline; Proust, Anna; Guillemot, Geoffroy","Unveiling the Active Surface Sites in Heterogeneous Titanium-Based Silicalite Epoxidation Catalysts: Input of Silanol-Functionalized Polyoxotungstates as Soluble Analogues","ACS Catalysis","2018","8","3","2330","","10.1021/acscatal.8b00256","","","0.71073","MoKα","","0.0489","0.0292","","","0.046","0.0506","","","","","","1.064","","","","has coordinates,has disorder","227508","2020-10-21","18:00:00",""
"4514417","15.251","0.002","10.6393","0.0016","19.017","0.003","90","","90","","90","","3085.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","","Zhao, Kang; Du, Rongrong; Wang, Bingyang; Liu, Jianhua; Xia, Chungu; Yang, Lei","RhCl3·3H2O-Catalyzed Regioselective C(sp2)‒H Alkoxycarbonylation: Efficient Synthesis of Indole- and Pyrrole-2-carboxylic Acid Esters","ACS Catalysis","2019","9","6","5545","","10.1021/acscatal.9b01193","","","0.71073","MoKα","","0.0562","0.0421","","","0.1342","0.1537","","","","","","1.001","","","","has coordinates","223178","2020-10-21","18:00:00",""
"4514437","9.4145","0.0006","16.7722","0.001","20.1088","0.0011","90","","90","","90","","3175.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B10 N O -","- C10 H19 B10 N O -","- C80 H152 B80 N8 O8 -","8","1","","Baek, Yonghyeon; Kim, Suhui; Son, Jeong-Yu; Lee, Kooyeon; Kim, Dongwook; Lee, Phil Ho","Rhodium-Catalyzed Amidation of the Cage B(4)‒H Bond in o-Carboranes with Dioxazolones by Carboxylic Acid-Assisted B(4)‒H Bond Activation","ACS Catalysis","2019","","","10418","","10.1021/acscatal.9b03380","","","0.71073","MoKα","","0.0979","0.054","","","0.1225","0.1445","","","","","","1.066","","","","has coordinates","219539","2020-10-21","18:00:00",""
"4514483","7.549","0.002","16.219","0.004","33.295","0.009","90","","90","","90","","4076.5","1.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylideneselanyl)copper(III) chloride","","- C18 H20 Cl Cu N4 Se2 -","- C18 H20 Cl Cu N4 Se2 -","- C144 H160 Cl8 Cu8 N32 Se16 -","8","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.1561","0.0674","","","0.1174","0.1434","","","","","","1.044","","","","has coordinates","219671","2020-10-21","18:00:00",""
"4514515","7.1479","0.0006","26.071","0.003","30.737","0.003","90","","90","","90","","5727.9","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H25 N3 O -","- C40 H25 N3 O -","- C320 H200 N24 O8 -","8","1","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1307","0.0566","","","0.1116","0.1408","","","","","","0.997","","","","has coordinates","219700","2020-10-21","18:00:00",""
"4514583","9.8403","0.0004","21.3017","0.0009","24.2115","0.0012","90","","90","","90","","5075.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N O2 S -","- C32 H27 N O2 S -","- C256 H216 N8 O16 S8 -","8","1","","Wu, Tien-Lin; Liao, Ssu-Yu; Huang, Pei-Yun; Hong, Zih-Siang; Huang, Man-Ping; Lin, Chih-Chun; Cheng, Mu-Jeng; Cheng, Chien-Hong","Exciplex Organic Light-Emitting Diodes with Nearly 20% External Quantum Efficiency: Effect of Intermolecular Steric Hindrance between the Donor and Acceptor Pair.","ACS applied materials & interfaces","2019","11","21","19294","19300","10.1021/acsami.9b04365","","","0.71073","MoKα","","0.0458","0.0357","","","0.085","0.0913","","","","","","1.029","","","","has coordinates","219767","2020-10-21","18:00:00",""
"4514596","16.5673","0.0002","15.2797","0.0002","21.0925","0.0003","90","","90","","90","","5339.43","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Gd N4 O8 -","- C27 H25 Gd N4 O8 -","- C216 H200 Gd8 N32 O64 -","8","1","","Zaręba, Jan K; Nyk, Marcin; Janczak, Jan; Samoć, Marek","Three-Photon Absorption of Coordination Polymer Transforms UV-to-VIS Thermometry into NIR-to-VIS Thermometry.","ACS applied materials & interfaces","2019","11","11","10435","10441","10.1021/acsami.8b21937","","","0.71073","MoKα","","0.0549","0.0295","","","0.0617","0.0734","","","","","","1.002","","","","has coordinates","219780","2020-10-21","18:00:00",""
"4514624","23.1713","0.0011","14.6301","0.0007","24.6604","0.0011","90","","90","","90","","8359.8","0.7","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H43 F3 O4 P4 Ru S -","- C44 H43 F3 O4 P4 Ru S -","- C352 H344 F24 O32 P32 Ru8 S8 -","8","1","","Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.","Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System","ACS Catalysis","2019","9","10","9317","","10.1021/acscatal.9b02280","","","0.71073","MoKα","","0.0482","0.0331","","","0.0606","0.0661","","","","","","1.05","","","","has coordinates","219809","2020-10-21","18:00:00",""
"4514648","25.0102","0.0002","21.4146","0.0002","30.8908","0.0003","90","","90","","90","","16544.6","0.3","138.2","0.6","138.2","0.6","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H121 Co2 Li N4 O4.5 -","- C88 H117 Co2 Li N4 O4 -","- C704 H936 Co16 Li8 N32 O32 -","8","1","","Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel","Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates","ACS Catalysis","2019","9","8","7596","","10.1021/acscatal.9b01584","","","1.54184","CuKα","","0.069","0.0623","","","0.1797","0.1864","","","","","","1.02","","","","has coordinates,has disorder","219827","2020-10-21","18:00:00",""
"4514751","16.868","0.001","20.0011","0.0013","26.7439","0.0018","90","","90","","90","","9022.8","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H58 F2 N Ni O2 P -","- C51 H58 F2 N Ni O2 P -","- C408 H464 F16 N8 Ni8 O16 P8 -","8","1","","Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Mecking, Stefan","Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization","ACS Catalysis","2019","9","4","2760","","10.1021/acscatal.8b04707","","","0.71073","MoKα","","0.1466","0.0583","","","0.0957","0.1326","","","","","","0.889","","","","has coordinates","219911","2020-10-21","18:00:00",""
"4514795","10.7285","0.0002","17.9511","0.0007","18.0222","0.0006","90","","90","","90","","3470.87","0.19","296.31","0.1","296.31","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O S -","- C19 H21 N O S -","- C152 H168 N8 O8 S8 -","8","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","x-ray","1.54184","CuKα","","0.1103","0.0865","","","0.2504","0.2749","","","","","","1.063","","","","has coordinates","219955","2020-10-21","18:00:00",""
"4514799","10.4266","0.0017","18.053","0.003","19.734","0.002","90","","90","","90","","3714.6","0.9","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O -","- C24 H22 N2 O -","- C192 H176 N16 O8 -","8","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.1224","0.0584","","","0.1211","0.1541","","","","","","1.017","","","","has coordinates","219959","2020-10-21","18:00:00",""
"4514832","17.0285","0.0007","6.9101","0.0003","21.3006","0.0009","90","","90","","90","","2506.41","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C96 H144 N16 O16 S8 -","8","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.0326","0.0304","","","0.0862","0.0874","","","","","","1.056","","","","has coordinates","219993","2020-10-21","18:00:00",""
"4514835","15.2153","0.0013","14.9228","0.0013","18.7632","0.0015","90","","90","","90","","4260.3","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C160 H240 Cl8 N24 O24 S8 -","8","1","","Lam, Ying-Pong; Wang, Xinyan; Tan, Fei; Ng, Wing-Hin; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Amide/Iminium Zwitterionic Catalysts for (Trans)esterification: Application in Biodiesel Synthesis","ACS Catalysis","2019","9","9","8083","","10.1021/acscatal.9b01959","","","0.71073","MoKα","","0.042","0.0365","","","0.0976","0.102","","","","","","1.029","","","","has coordinates","219996","2020-10-21","18:00:00",""
"4514893","19.6581","0.0013","8.4966","0.0004","27.1209","0.0015","90","","90","","90","","4529.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","14-(4-ethylbenzoyl)-4a,8-dimethyl-3,4,4a,6,7,13a-hexahydro-4,7-methanobenzo[2,3][1,4]oxazepino[4,5- a]indol-2(1 H)-one","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C224 H232 N8 O24 -","8","1","","Thopate, Satish B.; Jadhav, Sandip B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Stereoselective Desymmetrization of Cyclohexadienone-Tethered Enones: Efficient Access to Highly Strained Polycyclic Indoles","ACS Catalysis","2019","","","10012","","10.1021/acscatal.9b03560","","","0.71073","MoKα","","0.1703","0.066","","","0.1493","0.1989","","","","","","1.001","","","","has coordinates","220051","2020-10-21","18:00:00",""
"4514895","10.8454","0.0002","15.0719","0.0003","21.848","0.0004","90","","90","","90","","3571.29","0.12","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 B P -","- C21 H22 B P -","- C168 H176 B8 P8 -","8","1","","Jin, Shengfei; Haug, Graham C.; Nguyen, Vu T.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Decarboxylative Phosphine Synthesis: Insights into the Catalytic, Autocatalytic, and Inhibitory Roles of Additives and Intermediates","ACS Catalysis","2019","","","9764","","10.1021/acscatal.9b03366","","x-ray","0.71073","MoKα","","0.0424","0.0419","","","0.0954","0.0957","","","","","","1.085","","","","has coordinates","220053","2020-10-21","18:00:00",""
"4514906","29.608","0.003","7.135","0.0009","10.0478","0.0011","90","","90","0.004","90","","2122.6","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","","0.71073","MoKα","","0.1071","0.054","","","0.1306","0.1762","","","","","","1.011","","","","has coordinates","220067","2020-10-21","18:00:00",""
"4514911","12.6875","0.0016","11.3244","0.0014","26.09","0.003","90","","90","","90","","3748.6","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.0578","0.0389","","","0.082","0.0904","","","","","","1.025","","","","has coordinates","220072","2020-10-21","18:00:00",""
"4514928","15.52","0.003","13.41","0.003","16.49","0.003","90","0.03","90","0.03","90","0.03","3432","1.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","- C120 H168 Fe8 O48 -","1","0.125","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","","","0.2014","0.1607","","","0.3583","0.3941","","","","","","1.826","","","","has coordinates","220090","2020-10-21","18:00:00",""
"4514943","13.1762","0.0002","17.925","0.0002","20.5378","0.0003","90","","90","","90","","4850.69","0.12","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 N3 O8 -","- C24 H25 N3 O8 -","- C192 H200 N24 O64 -","8","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0995","0.0576","","","0.1272","0.1465","","","","","","1.013","","","","has coordinates","220109","2020-10-21","18:00:00",""
"4514962","10.1121","0.001","9.0764","0.0009","24.912","0.002","90","","90","","90","","2286.5","0.4","298","2","298.49","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 I N2 O3 -","- C10 H11 I N2 O3 -","- C80 H88 I8 N16 O24 -","8","1","","Chen, Zhengwang; Liu, Botao; Liang, Pei; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Luo, Guotian; Ye, Min","Construction of N-S and C-N Bonds from Reactions of Benzofuroxans with DMSO or THF.","ACS omega","2019","4","1","281","291","10.1021/acsomega.8b03353","","","0.71073","MoKα","","0.0518","0.044","","","0.0902","0.093","","","","","","1.228","","","","has coordinates","220128","2020-10-21","18:00:00",""
"4514965","14.342","0.001","10.8063","0.0006","27.4777","0.0018","90","","90","","90","","4258.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C208 H208 O40 -","8","1","","Paymode, Dinesh J.; Ramana, Chepuri V.","Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.","ACS omega","2019","4","1","810","818","10.1021/acsomega.8b02777","","","0.71073","MoKα","","0.1221","0.1048","","","0.2099","0.2205","","","","","","1.4","","","","has coordinates","220131","2020-10-21","18:00:00",""
"4515027","21.268","0.004","14.952","0.003","22.475","0.005","90","","90","","90","","7147","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H90 B6 N6 -","- C84 H90 B6 N6 -","- C336 H360 B24 N24 -","4","0.5","","Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide","Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.","ACS omega","2019","4","5","9343","9351","10.1021/acsomega.9b00830","","","0.7","Synchrotron","","0.0539","0.0496","","","0.1429","0.1474","","","","","","1.03","","","","has coordinates","220161","2020-10-21","18:00:00",""
"4515159","16.2066","0.0006","9.4121","0.0004","22.5224","0.0009","90","","90","","90","","3435.5","0.2","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C136 H152 N8 O16 S16 -","8","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.0884","0.0704","","","0.149","0.1572","","","","","","1.211","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4515235","11.8576","0.0009","9.505","0.0007","31.686","0.003","90","","90","","90","","3571.2","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RD-4-34","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C144 H184 N8 O24 -","8","1","","Dhungana, Roshan K.; KC, Shekhar; Basnet, Prakash; Aryal, Vivek; Chesley, Lucas J.; Giri, Ramesh","Ni(I)-Catalyzed β,δ-Vinylarylation of γ,δ-Alkenyl α-Cyanocarboxylic Esters via Contraction of Transient Nickellacycles","ACS Catalysis","2019","","","10887","","10.1021/acscatal.9b03574","","","0.71073","MoKα","","0.09","0.0554","","","0.1144","0.1273","","","","","","1.12","","","","has coordinates","222061","2020-10-21","18:00:00",""
"4515322","13.9659","0.0005","19.2044","0.0007","19.2173","0.0008","90","","90","","90","","5154.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Cd N5 O5 -","- C25 H25 Cd N5 O5 -","- C200 H200 Cd8 N40 O40 -","8","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","x-ray","0.71073","MoKα","","0.0598","0.0396","","","0.0922","0.1054","","","","","","1.075","","","","has coordinates","225485","2020-10-21","18:00:00",""
"4515383","8.5676","0.0006","7.0454","0.0004","30.713","0.002","90","","90","","90","","1853.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H14 N2 O4 -","- C26 H14 N2 O4 -","- C104 H56 N8 O16 -","4","0.5","","Xu, Haixiao; Zhou, Yecheng; Zhang, Jing; Jin, Jianqun; Liu, Guangfeng; Li, Yongxin; Ganguly, Rakesh; Huang, Li; Xu, Wei; Zhu, Daoben; Huang, Wei; Zhang, Qichun","Polymer-Assisted Single Crystal Engineering of Organic Semiconductors To Alter Electron Transport.","ACS applied materials & interfaces","2018","10","14","11837","11842","10.1021/acsami.8b01731","","","0.71073","MoKα","","0.0914","0.0638","","","0.1476","0.1655","","","","","","1.058","","","","has coordinates","225536","2020-10-21","18:00:00",""
"4515384","11.9302","0.0003","8.1807","0.00016","15.6895","0.0003","90","","90","","90","","1531.25","0.06","120.65","0.1","120.65","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Mn O8 -","- C5 H6 Mn O8 -","- C40 H48 Mn8 O64 -","8","1","","Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng","Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.","ACS applied materials & interfaces","2018","10","7","6398","6406","10.1021/acsami.7b18758","","","0.71073","MoKα","","0.0344","0.0295","","","0.0705","0.0742","","","","","","1.084","","","","has coordinates","225537","2020-10-21","18:00:00",""
"4515385","11.8335","0.0007","8.098","0.0005","15.4367","0.0008","90","","90","","90","","1479.26","0.15","121.3","0.1","121.3","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Co O8 -","- C5 H6 Co O8 -","- C40 H48 Co8 O64 -","8","1","","Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng","Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.","ACS applied materials & interfaces","2018","10","7","6398","6406","10.1021/acsami.7b18758","","x-ray","0.71073","MoKα","","0.0615","0.0411","","","0.0851","0.1054","","","","","","1.083","","","","has coordinates","225538","2020-10-21","18:00:00",""
"4515420","19.05","0.004","19.381","0.004","30.191","0.006","90","","90","","90","","11147","4","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H29 B F20 Ir N5 -","- C64 H29 B F20 Ir N5 -","- C512 H232 B8 F160 Ir8 N40 -","8","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.1972","0.1862","","","0.3867","0.4029","","","","","","1.272","","","","has coordinates","225574","2020-10-21","18:00:00",""
"4515421","11.306","0.002","15.847","0.003","37.356","0.008","90","","90","","90","","6693","2","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 B F4 Ir N5 -","- C40 H29 B F4 Ir N5 -","- C320 H232 B8 F32 Ir8 N40 -","8","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.0822","0.0617","","","0.2098","0.2637","","","","","","1.378","","","","has coordinates","225575","2020-10-21","18:00:00",""
"4515473","13.76","0.0003","7.1297","0.0002","34.2631","0.0007","90","","90","","90","","3361.37","0.14","110","0.14","110","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","1","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.0592","0.0479","","","0.1173","0.1251","","","","","","1.044","","","","has coordinates","225628","2020-10-21","18:00:00",""
"4515475","11.5","0.007","14.765","0.009","34.41","0.02","90","","90","","90","","5843","6","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Mn N3 O5 P2 S -","- C22 H40 Mn N3 O5 P2 S -","- C176 H320 Mn8 N24 O40 P16 S8 -","8","1","","Bertini, Federica; Glatz, Mathias; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Reduction to Methanol Catalyzed by Mn(I) PNP Pincer Complexes under Mild Reaction Conditions","ACS Catalysis","2018","9","1","632","","10.1021/acscatal.8b04106","","","0.71073","MoKα","","0.0714","0.0461","","","0.0923","0.1029","","","","","","1.04","","","","has coordinates,has disorder","225630","2020-10-21","18:00:00",""
"4515502","16.5485","0.0011","10.4399","0.0007","31.246","0.002","90","","90","","90","","5398.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl Fe N2 -","- C29 H35 Cl Fe N2 -","- C232 H280 Cl8 Fe8 N16 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1471","0.0647","","","0.1221","0.1478","","","","","","1.015","","","","has coordinates","225658","2020-10-21","18:00:00",""
"4515503","11.9206","0.0002","15.6644","0.0004","27.735","0.0005","90","","90","","90","","5178.93","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl Fe N3 -","- C26 H38 Cl Fe N3 -","- C208 H304 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0574","0.0357","","","0.079","0.0875","","","","","","1.022","","","","has coordinates","225659","2020-10-21","18:00:00",""
"4515542","13.7717","0.0002","11.1518","0.0001","18.9206","0.0002","90","","90","","90","","2905.81","0.06","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Ge N O3 -","- C14 H21 Ge N O3 -","- C112 H168 Ge8 N8 O24 -","8","1","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.0306","0.0288","","","0.0803","0.082","","","","","","1.054","","","","has coordinates","225699","2020-10-21","18:00:00",""
"4515563","17.7588","0.0004","13.939","0.0003","20.7682","0.0004","90","","90","","90","","5140.96","0.19","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cu N4 O7 S2 -","- C26 H24 Cu N4 O7 S2 -","- C208 H192 Cu8 N32 O56 S16 -","8","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0352","0.0331","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515579","14.17","0.0005","15.3918","0.0006","21.741","0.0008","90","","90","","90","","4741.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H41 N O3 P2 Ru -","- C19 H41 N O3 P2 Ru -","- C152 H328 N8 O24 P16 Ru8 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0291","0.0208","","","0.0473","0.0506","","","","","","1.047","","","","has coordinates","225730","2020-10-21","18:00:00",""
"4515744","16.4612","0.0008","13.7221","0.0007","26.85","0.0013","90","","90","","90","","6064.9","0.5","100","2","100","2","","","","","","","dichloromethane","6","P b c a","-P 2ac 2ab","61","","N-(2,6-diisopropyl-phenyl)-2-dicyclohexyl- phosphinyl-pyridinium hexafluoroantimonate","","- C29 H43 F6 N P Sb -","- C29 H43 F6 N P Sb -","- C232 H344 F48 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","1.54178","Cu-Kα","","0.0356","0.0339","","","0.089","0.0908","","","","","","1.048","","","","has coordinates,has disorder","225869","2020-10-21","18:00:00",""
"4515839","16.355","0.004","7.4111","0.0017","27.977","0.006","90","","90","","90","","3391.1","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C168 H160 N16 O16 -","8","1","","Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming","Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.","ACS combinatorial science","2018","20","3","156","163","10.1021/acscombsci.7b00170","","","0.71073","MoKα","","0.1475","0.0643","","","0.1394","0.1725","","","","","","1.012","","","","has coordinates","225939","2020-10-21","18:00:00",""
"4515878","9.371","0.0009","7.7868","0.0008","19.5301","0.0019","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","225970","2020-10-21","18:00:00",""
"4515935","7.942","0.005","19.31","0.02","22.77","0.02","90","","90","","90","","3492","5","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I2 N2 O Pt -","- C14 H18 I2 N2 O Pt -","- C112 H144 I16 N16 O8 Pt8 -","8","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0346","0.0329","","","0.1014","0.1024","","","","","","1.104","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515956","13.19","0.05","16.96","0.06","20.32","0.07","90","","90","","90","","4546","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","NRM018","NRM018","","- C26 H17 N3 O5 -","- C26 H17 N3 O5 -","- C208 H136 N24 O40 -","8","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0803","0.0546","","","0.1261","0.141","","","","","","1.086","","","","has coordinates,has disorder","226020","2020-10-21","18:00:00",""
"4516001","19.0712","0.0008","18.7238","0.0007","23.2135","0.001","90","","90","","90","","8289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H57 Au B Cl P2 -","- C44 H57 Au B Cl P2 -","- C352 H456 Au8 B8 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0464","0.0272","","","0.049","0.056","","","","","","1.081","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516046","20.8435","0.0006","7.8008","0.0002","34.8632","0.0011","90","","90","","90","","5668.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 F3 N3 O6 Pt S -","- C26 H28 F3 N3 O6 Pt S -","- C208 H224 F24 N24 O48 Pt8 S8 -","8","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0658","0.0564","","","0.0933","0.0959","","","","","","1.31","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516071","15.01162","0.00013","11.84446","0.00011","15.51368","0.00015","90","","90","","90","","2758.4","0.04","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl O Ti -","- C14 H19 Cl O Ti -","- C112 H152 Cl8 O8 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.0593","0.0599","","","","","","1.05","","","","has coordinates","226089","2020-10-21","18:00:00",""
"4516073","12.489","0.0003","11.4556","0.0002","14.6289","0.0003","90","","90","","90","","2092.94","0.08","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C87.28 H101.84 Cl8.72 O7.28 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0319","0.0266","","","0.0635","0.0659","","","","","","1.054","","","","has coordinates,has disorder","226091","2020-10-21","18:00:00",""
"4516116","7.5725","0.0006","11.9171","0.0008","24.932","0.002","90","","90","","90","","2249.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mn N4 O10 -","- C22 H14 Mn N4 O10 -","- C88 H56 Mn4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.0604","0.0593","","","0.217","0.22","","","","","","1.056","","","","has coordinates","226122","2020-10-21","18:00:00",""
"4516117","7.4271","0.0015","11.953","0.003","24.759","0.004","90","","90","","90","","2198","0.8","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Co N4 O10 -","- C22 H14 Co N4 O10 -","- C88 H56 Co4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1639","0.0663","","","0.1668","0.252","","","","","","1.061","","","","has coordinates","226123","2020-10-21","18:00:00",""
"4516123","15.6529","0.0009","9.5364","0.0006","23.3615","0.0014","90","","90","","90","","3487.2","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1055","0.0798","","","0.2569","0.2848","","","","","","1.092","","","","has coordinates","226129","2020-10-21","18:00:00",""
"4516124","16.3607","0.0005","8.454","0.0003","22.5078","0.0007","90","","90","","90","","3113.13","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1413","0.0628","","","0.1456","0.192","","","","","","1.021","","","","has coordinates","226130","2020-10-21","18:00:00",""
"4516173","7.353","0.001","13.0226","0.0009","32.757","0.004","90","","90","","90","","3136.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C168 H104 N8 O16 -","8","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.1783","0.047","","","0.0868","0.1106","","","","","","0.929","","","","has coordinates","226164","2020-10-21","18:00:00",""
"4516201","8.235","0.002","8.12","0.002","27.528","0.007","90","","90","","90","","1840.7","0.8","100","2","99.94","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0879","0.0807","","","0.2058","0.2093","","","","","","1.247","","","","has coordinates","226188","2020-10-21","18:00:00",""
"4516203","8.477","0.004","9.052","0.004","26.186","0.011","90","","90","","90","","2009.4","1.5","109","2","109.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.1003","0.0789","","","0.1962","0.2066","","","","","","1.121","","","","has coordinates","226190","2020-10-21","18:00:00",""
"4516204","8.2451","0.0007","8.1375","0.0007","27.463","0.003","90","","90","","90","","1842.6","0.3","116","2","116.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.054","0.0446","","","0.1232","0.1286","","","","","","1.233","","","","has coordinates","226191","2020-10-21","18:00:00",""
"4516205","8.396","0.003","8.966","0.003","26.188","0.008","90","","90","","90","","1971.4","1.1","100","2","100.09","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.125","0.1123","","","0.2858","0.2913","","","","","","1.397","","","","has coordinates","226192","2020-10-21","18:00:00",""
"4516221","19.9077","0.0006","12.8327","0.0004","22.0152","0.0007","90","","90","","90","","5624.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 N2 O4 Pd -","- C32 H32 N2 O4 Pd -","- C256 H256 N16 O32 Pd8 -","8","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","x-ray","0.41328","synchrotron","","0.034","0.0321","","","0.0867","0.0881","","","","","","1.123","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516226","14.3719","0.0006","6.4267","0.0003","25.3093","0.0011","90","","90","","90","","2337.67","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Ghosh, Koushik; Nishii, Yuji; Miura, Masahiro","Rhodium-Catalyzed Annulative Coupling Using Vinylene Carbonate as an Oxidizing Acetylene Surrogate","ACS Catalysis","2019","","","11455","","10.1021/acscatal.9b04254","","x-ray","1.54184","CuKα","","0.0499","0.045","","","0.1154","0.1206","","","","","","1.057","","","","has coordinates","227805","2020-10-21","18:00:00",""
"4516242","30.671","0.004","10.2786","0.0015","33.812","0.005","90","","90","","90","","10659","3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H45 P -","- C30 H45 P -","- C480 H720 P16 -","16","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.1106","0.0539","","","0.1065","0.1337","","","","","","0.956","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516249","18.317","0.003","13.782","0.002","22.811","0.004","90","","90","","90","","5758.5","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tBuBrettPhos","","","- C31 H49 O2 P -","- C31 H49 O2 P -","- C248 H392 O16 P8 -","8","1","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","0.71073","MoKα","","0.0408","0.0328","","","0.1142","0.1255","","","","","","0.992","","","","has coordinates","231131","2020-10-21","18:00:00",""
"4516252","17.7459","0.0008","19.0935","0.0008","53.801","0.003","90","","90","","90","","18229.5","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Ox_5f","","","- C53.5 H69 Br N O3 P Pd -","- C43 H57 Br N O3 P Pd -","- C688 H912 Br16 N16 O48 P16 Pd16 -","16","2","","Laffoon, Summer D.; Chan, Vincent S.; Fickes, Michael G.; Kotecki, Brian; Ickes, Andrew R.; Henle, Jeremy; Napolitano, José G.; Franczyk, Thaddeus S.; Dunn, Travis B.; Barnes, David M.; Haight, Anthony R.; Henry, Rodger F.; Shekhar, Shashank","Pd-Catalyzed Cross-Coupling Reactions Promoted by Biaryl Phosphorinane Ligands","ACS Catalysis","2019","","","11691","","10.1021/acscatal.9b03012","","","1.54178","CuKα","","0.1074","0.0777","","","0.1899","0.1979","","","","","","1.058","","","","has coordinates,has disorder","231131","2020-10-21","18:00:00",""
"4516271","13.7171","0.0005","18.5012","0.0007","23.9413","0.0008","90","","90","","90","","6075.9","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Br4 O4 S4 -","- C28 H20 Br4 O4 S4 -","- C224 H160 Br32 O32 S32 -","8","1","","Yamada, Manabu; Hamada, Fumio","Halogen Interactions in Macrocyclic Thiacalix[4]arene Systems","Crystal Growth & Design","2015","15","4","1889","","10.1021/acs.cgd.5b00065","","","0.71075","MoKα","","","0.0366","","","","0.1047","","","","","","0.885","","","","has coordinates","231218","2020-10-21","18:00:00",""
"4516491","12.2042","0.0002","13.5361","0.0003","14.7","0.0003","90","","90","","90","","2428.4","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C96 H80 N16 O48 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Łukomska-Rogala, Marlena; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide as a Proton Accepting Group in Multicomponent Crystals: X-ray and Theoretical Studies on New p-Nitropyridine-N-oxide Co-Crystals","Crystal Growth & Design","2015","15","12","5802","","10.1021/acs.cgd.5b01177","","","0.71073","MoKα","","0.0344","0.0318","","","0.0918","0.0932","","","","","","1.13","","","","has coordinates","231343","2020-10-21","18:00:00",""
"4516504","8.6605","0.0018","8.2623","0.0017","36.966","0.008","90","","90","","90","","2645.1","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Loots, Leigh; O’Connor, James P.; le Roex, Tanya; Haynes, Delia A.","Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity","Crystal Growth & Design","2015","15","12","5849","","10.1021/acs.cgd.5b01238","","","0.71073","MoKα","","0.1015","0.0592","","","0.1305","0.1475","","","","","","1.051","","","","has coordinates","231348","2020-10-21","18:00:00",""
"4516563","9.2624","0.0009","12.0268","0.0009","13.943","0.0008","90","","90","","90","","1553.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N2 O5 Pb -","- C6 H4 N2 O5 Pb -","- C48 H32 N16 O40 Pb8 -","8","1","","Wardana, Fendi Y.; Ng, Seik-Weng; Wibowo, Arief C.","The Lead Coordination Polymers Containing Pyrazine-2,3-Dicarboxylic Acid: Rapid Structural Transformations and Cation Exchange","Crystal Growth & Design","2015","15","12","5930","","10.1021/acs.cgd.5b01392","","","0.71073","MoKα","","0.0542","0.0351","","","0.0738","0.0847","","","","","","1.036","","","","has coordinates","231379","2020-10-21","18:00:00",""
"4516654","24.5267","0.0016","18.2686","0.0012","29.5609","0.0019","90","","90","","90","","13245.3","1.5","100","2","99.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N7 O15 Zn2 -","- C63 H68 N7 O15 Zn2 -","- C504 H544 N56 O120 Zn16 -","8","1","","Gupta, Mayank; Kottilil, Dileep; Tomar, Kapil; Lu, Shunbin; Vijayan, C.; Ji, Wei; Bharadwaj, Parimal K.","Two-Photon Absorption and Fluorescence in Micrometer-Sized Single Crystals of a Rhodamine B Coordinated Metal‒Organic Framework","ACS Applied Nano Materials","2018","1","10","5408","","10.1021/acsanm.8b01469","","","0.71073","MoKα","","0.1111","0.1025","","","0.2238","0.2306","","","","","","1.116","","","","has coordinates","239431","2020-10-21","18:00:00",""
"4516720","13.278","0.002","17.113","0.003","20.133","0.003","90","","90","","90","","4574.7","1.3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H23 Cl Cu N2 O3 -","- C26 H23 Cl Cu N2 O3 -","- C208 H184 Cl8 Cu8 N16 O24 -","8","1","","Bose, Shubhankar Kumar; Brand, Simon; Omoregie, Helen Oluwatola; Haehnel, Martin; Maier, Jonathan; Bringmann, Gerhard; Marder, Todd B.","Highly Efficient Synthesis of Alkylboronate Esters via Cu(II)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides in Air","ACS Catalysis","2016","6","12","8332","","10.1021/acscatal.6b02918","","","0.71073","MoKα","","0.0307","0.0271","","","0.0749","0.0767","","","","","","1.029","","","","has coordinates","239487","2020-10-21","18:00:00",""
"4516797","15.978","0.002","11.3704","0.0014","19.168","0.002","90","","90","","90","","3482.4","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","","Yao, Po-Hsin Eric; Kumar, Sunil; Liu, Yu-Li; Fang, Chiu-Ping; Liu, Chia-Chen; Sun, Chung-Ming","Diversity-Oriented Synthesis of Coumarin-Linked Benzimidazoles via a One-Pot, Three-Step, Intramolecular Knoevenagel Cyclization.","ACS combinatorial science","2017","19","4","271","275","10.1021/acscombsci.7b00004","","","0.71073","MoKα","","0.0592","0.0446","","","0.1159","0.1271","","","","","","1.021","","","","has coordinates","239545","2020-10-21","18:00:00",""
"4516800","20.2492","0.0005","8.0522","0.0002","31.5344","0.0006","90","","90","","90","","5141.7","0.2","100","","100.04","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(SO2)-FI2-OMe2","","- C28 H25 N O5 S -","- C30 H31 N O6 S -","- C240 H248 N8 O48 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.045","0.0412","","","0.1016","0.104","","","","","","1.105","","","","has coordinates","239549","2020-10-21","18:00:00",""
"4516835","9.796","","18.22","","22.12","","90","","90","","90","","3948.05","","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C160 H112 F48 O32 -","8","1","","Li, Fang-Ling; Wang, Lei; Li, Cui-Hua; Liu, Ning; Dai, Bin","Substrate-Controlled Product Divergence: Silver-Catalyzed Reaction of Trifluoromethyl Ketones with Terminal Alkynes.","ACS omega","2017","2","3","1104","1115","10.1021/acsomega.6b00432","","","0.71073","MoKα","","0.0833","0.039","","","0.0992","0.1262","","","","","","0.984","","","","has coordinates","239579","2020-10-21","18:00:00",""
"4516852","20.8249","0.0004","8.55531","0.00017","24.3304","0.0005","90","","90","","90","","4334.79","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N3 O -","- C28 H26 N3 O -","- C224 H208 N24 O8 -","8","1","","Melekhova, Anna A.; Smirnov, Andrey S.; Novikov, Alexander S.; Panikorovskii, Taras L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu","Copper(I)-Catalyzed 1,3-Dipolar Cycloaddition of Ketonitrones to Dialkylcyanamides: A Step toward Sustainable Generation of 2,3-Dihydro-1,2,4-oxadiazoles.","ACS omega","2017","2","4","1380","1391","10.1021/acsomega.7b00130","","x-ray","1.54184","CuKα","","0.0452","0.0388","","","0.125","0.1339","","","","","","1.099","","","","has coordinates","239591","2020-10-21","18:00:00",""
"4516906","7.2428","0.0003","13.052","0.0006","29.5375","0.0013","90","","90","","90","","2792.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N2 O6 -","- C14 H11 Cl N2 O6 -","- C112 H88 Cl8 N16 O48 -","8","1","","Oruganti, Madhavi; Nechipadappu, Sunil Kumar; Khade, Pavan A.; Trivedi, Darshak R.","Solid-State Versatility of the Molecular Salts/Cocrystals of 2-Chloro-4-nitrobenzoic Acid: A Case Study on Halogen Bonds.","ACS omega","2017","2","10","7146","7162","10.1021/acsomega.7b00878","","","0.71073","MoKα","","0.0516","0.0449","","","0.1616","0.167","","","","","","1.354","","","","has coordinates","239626","2020-10-21","18:00:00",""
"4517015","17.516","0.005","19.233","0.006","23.482","0.007","90","","90","","90","","7911","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Fe I2 N10 -","- C36 H34 Fe I2 N10 -","- C288 H272 Fe8 I16 N80 -","8","1","","Chen, Fei; Liu, Ning; Dai, Bin","Iron(II) Bis-CNN Pincer Complex-Catalyzed Cyclic Carbonate Synthesis at Room Temperature","ACS Sustainable Chemistry & Engineering","2017","5","10","9065","","10.1021/acssuschemeng.7b01990","","","0.71073","MoKα","","0.1288","0.0857","","","0.2502","0.2816","","","","","","0.992","","","","has coordinates","239697","2020-10-21","18:00:00",""
"4517167","11.3428","0.0003","11.7215","0.0003","24.5548","0.0007","90","","90","","90","","3264.67","0.15","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C144 H192 N16 O8 -","8","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.079","0.0586","","","0.131","0.1517","","","","","","1.125","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517168","16.3043","0.0004","8.1054","0.0002","18.5358","0.0005","90","","90","","90","","2449.56","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N -","- C17 H15 N -","- C136 H120 N8 -","8","1","","Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang","Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex","ACS Catalysis","2019","","","276","","10.1021/acscatal.9b03604","","x-ray","1.54184","CuKα","","0.0548","0.0463","","","0.1182","0.1294","","","","","","1.093","","","","has coordinates","245062","2020-10-21","18:00:00",""
"4517169","9.6851","0.0003","7.3807","0.0003","31.3965","0.0011","90","","90","","90","","2244.31","0.14","180.01","0.12","180.01","0.12","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Wu, Bin; Zhu, Rong","Radical Philicity Inversion in Co- and Fe-Catalyzed Hydrogen-Atom-Transfer-Initiated Cyclizations of Unsaturated Acylsilanes","ACS Catalysis","2019","10","1","510","","10.1021/acscatal.9b04774","","x-ray","1.54184","CuKα","","0.0795","0.0755","","","0.1797","0.182","","","","","","1.022","","","","has coordinates","246531","2020-10-21","18:00:00",""
"4517175","18.7085","0.0006","6.2302","0.0002","24.4878","0.001","90","","90","","90","","2854.24","0.17","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C144 H128 N16 O8 -","8","1","","Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz","Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization","ACS Catalysis","2019","","","435","","10.1021/acscatal.9b04592","","","0.71073","MoKα","","0.0469","0.0436","","","0.108","0.1102","","","","","","1.068","","","","has coordinates","245069","2020-10-21","18:00:00",""
"4517215","21.8565","0.0006","14.7082","0.0004","22.7524","0.0006","90","","90","","90","","7314.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl4 P2 Pd -","- C36 H44 Cl4 P2 Pd -","- C288 H352 Cl32 P16 Pd8 -","8","1","","Tay, Dillon W. P.; Nobbs, James D.; Romain, Charles; White, Andrew J. P.; Aitipamula, Srinivasulu; van Meurs, Martin; Britovsek, George J. P.","gem-Dialkyl Effect in Diphosphine Ligands: Synthesis, Coordination Behavior, and Application in Pd-Catalyzed Hydroformylation","ACS Catalysis","2019","10","1","663","","10.1021/acscatal.9b03007","","","0.71073","MoKα","","0.0713","0.0469","","","0.1043","0.1192","","","","","","1.046","","","","has coordinates,has disorder","246532","2020-10-21","18:00:00",""
"4517219","18.0203","0.0018","18.028","0.002","22.855","0.003","90","","90","","90","","7424.9","1.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44.8 Fe2 N8 O17.4 -","- C32 H44.8 Fe2 N8 O17.4 -","- C256 H358.4 Fe16 N64 O139.2 -","8","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0327","0.0301","","","0.0721","0.0734","","","","","","1.095","","","","has coordinates","246535","2020-10-21","18:00:00",""
"4517231","12.0382","0.0008","7.4286","0.0005","29.694","0.002","90","","90","","90","","2655.4","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","phosphangulene oxide : phosphangulene 0.50:0.50","","- C18 H9 O3.5 P -","- C18 H9 O3.504 P -","- C144 H72 O28.032 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0646","0.0624","","","0.162","0.1636","","","","","","1.152","","","","has coordinates,has Fobs","245439","2020-10-21","18:00:00",""
"4517237","12.085","0.0006","7.4412","0.0004","29.722","0.0016","90","","90","","90","","2672.8","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide","4,8,12-Trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo(cd,mn)pyrene","","- C18 H9 O4 P -","- C18 H9 O4 P -","- C144 H72 O32 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0561","0.0491","","","0.1238","0.131","","","","","","1.088","","","","has coordinates,has Fobs","245445","2020-10-21","18:00:00",""
"4517238","12.0473","0.0004","7.4364","0.0003","29.7151","0.001","90","","90","","90","","2662.13","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.70:0.30","","","- C18 H9 O3.7 P -","- C18 H9 O3.704 P -","- C144 H72 O29.632 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0493","0.0466","","","0.1205","0.1225","","","","","","1.114","","","","has coordinates,has Fobs","245446","2020-10-21","18:00:00",""
"4517239","12.0696","0.0005","7.4375","0.0003","29.7131","0.0012","90","","90","","90","","2667.28","0.19","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","phosphangulene oxide : phosphangulene 0.85:0.15","","","- C18 H9 O3.85 P -","- C18 H9 O3.854 P -","- C144 H72 O30.832 P8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0476","0.0376","","","0.0851","0.0907","","","","","","1.06","","","","has coordinates,has Fobs","245447","2020-10-21","18:00:00",""
"4517241","14.7446","0.0003","13.0971","0.0003","14.9443","0.0003","90","","90","","90","","2885.92","0.11","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","phosphangulene sulfide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-sulfide","","- C18 H9 O3 P S -","- C18 H9 O3 P S -","- C144 H72 O24 P8 S8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0306","0.0294","","","0.0847","0.0857","","","","","","1.051","","","","has coordinates,has Fobs","245449","2020-10-21","18:00:00",""
"4517258","16.8304","0.0006","14.237","0.0005","18.0925","0.0007","90","","90","","90","","4335.2","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate","","- C14 H22 N12 O2 S2 -","- C14 H22 N12 O2 S2 -","- C112 H176 N96 O16 S16 -","8","1","","Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest","Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine","Crystal growth and Design","2019","19","","1299","","10.1021/acs.cgd.8b01694","","x-ray","1.54178","CuKα","","0.0433","0.043","","","0.1192","0.1196","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","245517","2020-10-21","18:00:00",""
"4517322","12.5702","0.0005","16.2085","0.0007","33.5599","0.0014","90","","90","","90","","6837.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinopropyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C36 H42 Fe N4 O6 -","- C36 H42 Fe N4 O6 -","- C288 H336 Fe8 N32 O48 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0706","0.0419","","","0.0848","0.0957","","","","","","1.046","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517323","12.3781","0.0008","16.2241","0.001","31.858","0.002","90","","90","","90","","6397.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-bis(morpholinoethyl)-5,7-diphenyl-1,2,3,4-tetrahyro-6H-cyclopenta[b] pyrazin-6-one iron tricarbonyl","","- C34 H38.5 Fe N4 O6.25 -","- C34 H38.5 Fe N4 O6.25 -","- C272 H308 Fe8 N32 O50 -","8","1","","Coufourier, Sébastien; Gaignard Gaillard, Quentin; Lohier, Jean-François; Poater, Albert; Gaillard, Sylvain; Renaud, Jean-Luc","Hydrogenation of CO2, Hydrogenocarbonate, and Carbonate to Formate in Water using Phosphine Free Bifunctional Iron Complexes","ACS Catalysis","2020","","","2108","2116","10.1021/acscatal.9b04340","","","0.71073","MoKα","","0.0524","0.0368","","","0.0857","0.0944","","","","","","1.016","","","","has coordinates,has disorder","257012","2020-10-21","18:00:00",""
"4517327","12.3683","0.0006","11.2848","0.0005","32.6128","0.0013","90","","90","","90","","4551.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Br N4 Ni -","- C28 H24 Br N4 Ni -","- C224 H192 Br8 N32 Ni8 -","8","1","","Yanagi, Tomoyuki; Somerville, Rosie J.; Nogi, Keisuke; Martin, Ruben; Yorimitsu, Hideki","Ni-Catalyzed Carboxylation of C(sp2)‒S Bonds with CO2: Evidence for the Multifaceted Role of Zn","ACS Catalysis","2020","","","2117","2123","10.1021/acscatal.9b05141","","","0.71075","MoKα","","0.1232","0.0617","","","0.1337","0.1561","","","","","","1.068","","","","has coordinates","257027","2020-10-21","18:00:00",""
"4517368","13.5499","0.0005","15.2341","0.0005","24.4346","0.0009","90","","90","","90","","5043.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F3 N O6 S -","- C27 H24 F3 N O6 S -","- C216 H192 F24 N8 O48 S8 -","8","1","","Uno, Hiroto; Imai, Takanori; Harada, Kyosuke; Shibata, Norio","Synthesis of Highly Functionalized 12-Membered Trifluoromethyl Heterocycles via a Nondecarboxylative Pd-Catalyzed [6 + 6] Annulation","ACS Catalysis","2020","10","2","1454","1459","10.1021/acscatal.9b05377","","","0.71075","MoKα","","","0.0527","","","","0.127","","","","","","1.032","","","","has coordinates","256993","2020-10-21","18:00:00",""
"4517386","15.3961","0.0005","13.602","0.0004","16.0574","0.0004","90","","90","","90","","3362.7","0.17","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N6 O3 S -","- C14 H18 N6 O3 S -","- C112 H144 N48 O24 S8 -","8","1","","Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa","Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions.","ACS omega","2020","5","6","2939","2946","10.1021/acsomega.9b03778","","x-ray","0.71073","MoKα","","0.0678","0.0489","","","0.14","0.1538","","","","","","1.027","","","","has coordinates","248692","2020-10-21","18:00:00",""
"4517503","7.2868","0.0006","14.4003","0.0012","16.4259","0.0013","90","","90","","90","","1723.6","0.2","298","2","295.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Au Cl2 N2 O2 -","- C5 H3 Au Cl2 N2 O2 -","- C40 H24 Au8 Cl16 N16 O16 -","8","1","","Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K.","Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety","ACS Omega","2020","5","12","6826","6833","10.1021/acsomega.0c00071","","","0.71076","MoKα","","0.0286","0.0243","","","0.0627","0.0667","","","","","","1.084","","","","has coordinates","257078","2020-10-21","18:00:00",""
"4517508","7.5273","0.0009","7.4027","0.0009","23.054","0.003","90","","90","","90","","1284.6","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","csp-2fc-cd","","- C4 H12 Cd Cl4 F4 N2 -","- C4 H12 Cd Cl4 F4 N2 -","- C16 H48 Cd4 Cl16 F16 N8 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi","Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4]","ACS Omega","2020","5","12","6773","6780","10.1021/acsomega.0c00113","","","0.71076","MoKα","","0.0539","0.0512","","","0.1184","0.1196","","","","","","1.396","","","","has coordinates","257077","2020-10-21","18:00:00",""
"4517593","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.","Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c02313","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","251019","2020-10-21","18:00:00",""
"4517600","7.1183","0.0002","5.9626","0.0002","29.6753","0.0009","90","","90","","90","","1259.53","0.07","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","","Wu, Hongwei; Gu, Long; Baryshnikov, Glib V.; Wang, Hou; Minaev, Boris F.; Agren, Hans; Zhao, Yanli","Molecular Phosphorescence in Polymer Matrix with Reversible Sensitivity.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04859","","","0.71073","MoKα","","0.0656","0.0467","","","0.117","0.1317","","","","","","1.058","","","","has coordinates","251080","2020-10-21","18:00:00",""
"4517622","14.6776","0.0005","20.6265","0.0007","62.33","0.002","90","","90","","90","","18870.3","1.1","297","2","297.58","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 Zn -","- C42 H76 Cl4 N2 Zn -","- C672 H1216 Cl64 N32 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.114","0.0553","","","0.0969","0.118","","","","","","1.028","","","","has coordinates","251272","2020-10-21","18:00:00",""
"4517623","14.0801","0.0003","20.5166","0.0004","62.5674","0.0012","90","","90","","90","","18074.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl4 N2 O0.13 Zn -","- C42 H76 Cl4 N2 O0.133 Zn -","- C672 H1216 Cl64 N32 O2.128 Zn16 -","16","2","","Dubovoy, Viktor; Nawrocki, Shiri; Verma, Gaurav; Wojtas, Lukasz; Desai, Primit; Al-Tameemi, Hassan; Brinzari, Tatiana V.; Stranick, Michael; Chen, Dailin; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Asefa, Tewodros; Pan, Long","Synthesis, Characterization, and Investigation of the Antimicrobial Activity of Cetylpyridinium Tetrachlorozincate","ACS Omega","2020","","","","","10.1021/acsomega.0c00131","","","1.54178","CuKα","","0.0772","0.0481","","","0.09","0.0997","","","","","","1.043","","","","has coordinates","251273","2020-10-21","18:00:00",""
"4517711","12.2672","0.0002","15.04","0.0003","28.7115","0.0006","90","","90","","90","","5297.23","0.18","170","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H42 Cl Ir N P2 S -","- C23 H42 Cl Ir N P2 S -","- C184 H336 Cl8 Ir8 N8 P16 S8 -","8","1","","Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng","N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects","ACS Catalysis","2020","","","6475","6487","10.1021/acscatal.0c00539","","","1.34139","GaKα","","0.0409","0.0351","","","0.091","0.0965","","","","","","1.066","","","","has coordinates,has disorder","257059","2020-10-21","18:00:00",""
"4517744","8.3345","0.0003","12.5564","0.0003","38.1656","0.0018","90","","90","","90","","3994.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C184 H152 N40 O16 -","8","1","","Li, Jingyao; Di Lorenzo, Vincenzo; Patil, Pravin; Ruiz Moreno, Angel J.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Velasco-Velázquez, Marco A; Dömling, Alexander","Scaffolding-induced property modulation of chemical space.","ACS combinatorial science","2020","","","","","10.1021/acscombsci.0c00072","","","0.71073","MoKα","","0.0849","0.0518","","","0.1007","0.1154","","","","","","1.044","","","","has coordinates","252996","2020-10-21","18:00:00",""
"4517823","24.7131","0.0011","7.4256","0.0005","34.3572","0.0017","90","","90","","90","","6304.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H12 B F15 N2 O2 -","- C34 H12 B F15 N2 O2 -","- C272 H96 B8 F120 N16 O16 -","8","1","","Lu, Bo; Fang, Xiaoyu; Yan, Dongpeng","Luminescent Polymorphic Co-crystals: A Promising Way to the Diversity of Molecular Assembly, Fluorescence Polarization, and Optical Waveguide.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06794","","x-ray","0.71073","MoKα","","0.1729","0.0748","","","0.1751","0.2299","","","","","","1.024","","","","has coordinates","253623","2020-10-21","18:00:00",""
"4517962","14.7578","0.0005","13.4002","0.0005","25.2603","0.0009","90","","90","","90","","4995.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Br2 N3 Pd -","- C25 H31 Br2 N3 Pd -","- C200 H248 Br16 N24 Pd8 -","8","1","","Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam","Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling","ACS Omega","2020","","","","","10.1021/acsomega.0c02413","","","0.71073","MoKα","","0.0551","0.03","","","0.0632","0.0748","","","","","","1.046","","","","has coordinates","255424","2020-10-21","18:00:00",""
"4517973","12.2427","0.0009","13.5652","0.001","17.6056","0.0012","90","","90","","90","","2923.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C128 H200 N8 O16 -","8","1","","Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.","Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior","ACS Omega","2020","","","","","10.1021/acsomega.0c02277","","","0.71073","MoKα","","0.0632","0.047","","","0.1032","0.1094","","","","","","1.035","","","","has coordinates","255512","2020-10-21","18:00:00",""
"4517985","7.3175","0.001","11.8808","0.001","40.778","0.007","90","","90","","90","","3545.1","0.8","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","avobenzone_form_2","1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","d’Agostino, Simone; Azzali, Alessandra; Casali, Lucia; Taddei, Paola; Grepioni, Fabrizia","Environmentally Friendly Sunscreens: Mechanochemical Synthesis and Characterization of β-CD Inclusion Complexes of Avobenzone and Octinoxate with Improved Photostability","ACS Sustainable Chemistry & Engineering","2020","","","","","10.1021/acssuschemeng.0c02735","","x-ray","0.71073","MoKα","","0.2632","0.0761","","","0.0928","0.1399","","","","","","0.96","","","","has coordinates,has disorder","255631","2020-10-21","18:00:00",""
"4518052","9.2362","0.0003","10.9879","0.0003","23.7378","0.0007","90","","90","","90","","2409.06","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H21 N O3 -","- C11 H21 N O3 -","- C88 H168 N8 O24 -","8","1","","Wollenburg, Marco; Heusler, Arne; Bergander, Klaus; Glorius, Frank","trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives","ACS Catalysis","2020","10","19","11365","11370","10.1021/acscatal.0c03423","","","1.54178","CuKα","","0.0744","0.059","","","0.1449","0.1549","","","","","","1.071","","","","has coordinates","256999","2020-10-21","18:00:00",""
"4518056","13.1697","0.0001","8.5458","0.0001","33.8861","0.0003","90","","90","","90","","3813.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 S2 -","- C20 H24 O5 S2 -","- C160 H192 O40 S16 -","8","1","","Dang, Hang T.; Haug, Graham C.; Nguyen, Vu T.; Vuong, Ngan T. H.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Acridine Photocatalysis: Insights into the Mechanism and Development of a Dual-Catalytic Direct Decarboxylative Conjugate Addition","ACS Catalysis","2020","10","19","11448","11457","10.1021/acscatal.0c03440","","x-ray","1.54184","CuKα","","0.0338","0.0307","","","0.0749","0.0767","","","","","","1.058","","","","has coordinates","256998","2020-10-21","18:00:00",""
"4518091","12.8335","0.0002","14.5079","0.0002","25.395","0.0003","90","","90","","90","","4728.22","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Br2 O4 Si -","- C21 H34 Br2 O4 Si -","- C168 H272 Br16 O32 Si8 -","8","1","","Schäfers, Felix; Quach, Linda; Schwarz, J. Luca; Saladrigas, Mar; Daniliuc, Constantin G.; Glorius, Frank","Direct Access to Monoprotected Homoallylic 1,2-Diols via Dual Chromium/Photoredox Catalysis","ACS Catalysis","2020","","","11841","11847","10.1021/acscatal.0c03697","","","1.54178","CuKα","","0.0282","0.0272","","","0.0669","0.0675","","","","","","1.076","","","","has coordinates,has disorder","256806","2020-10-21","18:00:00",""
"4518174","12.351","0.0004","17.281","0.0011","19.134","0.0013","90","","90","","90","","4083.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Charles32 (Nansi)","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C192 H144 Br8 N8 O24 -","8","1","","Gjineci, Nansi; Aharonovich, Sinai; Dekel, Dario R.; Diesendruck, Charles E.","Increasing the Alkaline Stability of <i>N</i>,<i>N</i>-Diaryl Carbazolium Salts Using Substituent Electronic Effects.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c14132","","","0.71073","MoKα","","0.1118","0.054","","","0.1175","0.1366","","","","","","1.051","","","","has coordinates,has disorder","258582","2020-10-23","21:15:19",""
"4518194","9.3985","0.0011","12.781","0.0015","25.714","0.003","90","","90","","90","","3088.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 N2 Pt S -","- C14 H14 Br2 N2 Pt S -","- C112 H112 Br16 N16 Pt8 S8 -","8","1","","Bavi, Marzieh; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Niknam, Fatemeh; Hamidizadeh, Peyman; Hoseini, S. Jafar; Raoof, Fatemeh; Abu-Omar, Mahdi M.","Ligand-Mediated C‒Br Oxidative Addition to Cycloplatinated(II) Complexes and Benzyl-Me C‒C Bond Reductive Elimination from a Cycloplatinated(IV) Complex","ACS Omega","2020","","","","","10.1021/acsomega.0c03573","","","0.71073","MoKα","","0.074","0.0421","","","0.0777","0.0876","","","","","","0.987","","","","has coordinates","258649","2020-10-30","22:37:31",""
"4518332","13.793","0.002","18.478","0.003","20.113","0.003","90","","90","","90","","5126.1","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C248 H232 N8 O16 S8 -","8","1","","Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng","Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization","ACS Catalysis","2020","","","383","389","10.1021/acscatal.0c03853","","","0.71073","MoKα","","0.0563","0.0388","","","0.0964","0.1075","","","","","","1.032","","","","has coordinates","260063","2020-12-21","22:20:40",""
"4518401","8.9064","0.0004","9.2796","0.0005","24.348","0.0008","90","","90","","90","","2012.31","0.16","302","2","302","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0612","0.0365","","","0.0708","0.0804","","","","","","1.097","","","","has coordinates","261495","2021-02-04","03:29:19",""
"4518432","21.747","0.007","16.485","0.005","23.171","0.008","90","","90","","90","","8307","5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","vs_db_vs_nts_6mem","","","- C41 H47 Cl4 N3 O2 Ru S -","- C41 H47 Cl4 N3 O2 Ru S -","- C328 H376 Cl32 N24 O16 Ru8 S8 -","8","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2258","0.0924","","","0.1899","0.2371","","","","","","1.008","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518467","16.8262","0.0002","19.3356","0.0002","41.108","0.0004","90","","90","","90","","13374.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H98 Ag2 O6 P2 -","- C63 H98 Ag2 O6 P2 -","- C504 H784 Ag16 O48 P16 -","8","1","","Tlahuext-Aca, Adrian; Hartwig, John F.","Site-Selective Silver-Catalyzed C‒H Bond Deuteration of Five-Membered Aromatic Heterocycles and Pharmaceuticals","ACS Catalysis","2021","","","1119","1127","10.1021/acscatal.0c04917","","","0.71073","MoKα","","0.048","0.0386","","","0.0963","0.0999","","","","","","1.023","","","","has coordinates","261412","2021-02-03","20:25:39",""
"4518478","19.05","0.003","10.8747","0.0014","19.747","0.003","90","","90","","90","","4090.8","1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F3 N4 O3 -","- C20 H14 Cl F3 N4 O3 -","- C160 H112 Cl8 F24 N32 O24 -","8","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1055","0.0524","","","0.1091","0.1323","","","","","","1.01","","","","has coordinates","261421","2021-02-03","21:02:57",""
"4518501","17.1482","0.0014","16.0706","0.0013","21.2524","0.0017","90","","90","","90","","5856.8","0.8","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H46 B F4 Ir O P2 -","- C24 H46 B F4 Ir O P2 -","- C192 H368 B8 F32 Ir8 O8 P16 -","8","1","","Shada, Arun Dixith Reddy; Miller, Alexander J. M.; Emge, Thomas J.; Goldman, Alan S.","Catalytic Dehydrogenation of Alkanes by PCP‒Pincer Iridium Complexes Using Proton and Electron Acceptors","ACS Catalysis","2021","","","3009","3016","10.1021/acscatal.0c05160","","","0.71073","MoKα","","0.0456","0.0323","","","0.0693","0.0748","","","","","","1.049","","","","has coordinates,has disorder","262165","2021-02-23","22:23:34",""
"4518522","18.5023","0.0007","7.8493","0.0003","22.7256","0.0007","90","","90","","90","","3300.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun","Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition","ACS Catalysis","2021","","","2684","2690","10.1021/acscatal.0c05515","","x-ray","1.54184","CuKα","","0.0695","0.0565","","","0.1526","0.165","","","","","","1.048","","","","has coordinates","262407","2021-03-03","20:34:24",""
"4518603","17.5926","0.0004","8.7826","0.0002","20.6542","0.0005","90","","90","","90","","3191.26","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 I4 N2 Sn -","- C7 H12 I4 N2 Sn -","- C56 H96 I32 N16 Sn8 -","8","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0806","0.0442","","","0.0901","0.1067","","","","","","1.042","","","","has coordinates,has disorder","263868","2021-04-05","21:53:31",""
"4518610","17.9119","0.0004","8.6987","0.0002","20.3708","0.0005","90","","90","","90","","3173.98","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 I4 N2 Sn -","- C7 H12 I4 N2 Sn -","- C56 H96 I32 N16 Sn8 -","8","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0484","0.0351","","","0.0755","0.083","","","","","","1.053","","","","has coordinates","263875","2021-04-05","21:55:56",""
"4518626","18.282","0.004","18.506","0.004","20.018","0.004","90","","90","","90","","6773","2","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H50 O3 P Pd -","- C37 H51 O3 P Pd -","- C296 H408 O24 P8 Pd8 -","8","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0624","0.0415","","","0.0946","0.1104","","","","","","1.118","","","","has coordinates,has disorder","264486","2021-04-23","21:31:18",""
"4518728","8.5057","0.0003","9.0045","0.0004","26.6249","0.0012","90","","90","","90","","2039.19","0.15","270","2","270","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer","Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites","ACS Nano","2021","","","","","10.1021/acsnano.1c02022","","","0.71073","MoKα","","0.0527","0.0413","","","0.1011","0.1065","","","","","","1.045","","","","has coordinates","265310","2021-05-18","21:51:35",""
"4518729","8.8763","0.0003","8.6936","0.0003","27.6162","0.0013","90","","90","","90","","2131.06","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer","Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites","ACS Nano","2021","","","","","10.1021/acsnano.1c02022","","","0.71073","MoKα","","0.0352","0.0256","","","0.0586","0.0616","","","","","","1.071","","","","has coordinates","265311","2021-05-18","21:52:10",""
"4518730","8.4223","0.0002","8.9958","0.0002","26.0751","0.0006","90","","90","","90","","1975.59","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer","Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites","ACS Nano","2021","","","","","10.1021/acsnano.1c02022","","","0.71073","MoKα","","0.0382","0.0339","","","0.0883","0.0911","","","","","","1.111","","","","has coordinates","265312","2021-05-18","21:52:26",""
"4518740","8.617","0.002","21.565","0.007","13.651","0.004","90","","90","","90","","2536.7","1.3","110","2","109.67","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C136 H104 N8 O16 -","4","0.5","","Das, Riyanka; Bej, Sourav; Hirani, Harish; Banerjee, Priyabrata","Trace-Level Humidity Sensing from Commercial Organic Solvents and Food Products by an AIE/ESIPT-Triggered Piezochromic Luminogen and ppb-Level “OFF‒ON‒OFF” Sensing of Cu2+: A Combined Experimental and Theoretical Outcome","ACS Omega","2021","","","","","10.1021/acsomega.1c00565","","","0.71073","MoKα","","0.1484","0.0767","","","0.1733","0.2189","","","","","","1.055","","","","has coordinates","265486","2021-05-25","21:34:26",""
"4518769","14.0817","0.0004","20.8984","0.0006","21.3489","0.0006","90","","90","","90","","6282.7","0.3","170","2","169.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Ca N4 Si -","- C28 H52 Ca N4 Si -","- C224 H416 Ca8 N32 Si8 -","8","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0551","0.0427","","","0.1059","0.1143","","","","","","1.038","","","","has coordinates","265729","2021-06-03","19:13:56",""
"4518776","14.0556","0.0003","8.4265","0.0002","23.4225","0.0006","90","","90","","90","","2774.15","0.11","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl N O3 -","- C13 H22 Cl N O3 -","- C104 H176 Cl8 N8 O24 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0465","0.0449","","","0.117","0.1185","","","","","","1.065","","","","has coordinates","265736","2021-06-03","19:50:41",""
"4518793","11.5282","0.0003","24.9634","0.0008","26.1194","0.0009","90","","90","","90","","7516.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","ReH6(dppp)(Bpin)","","- C40 H52 B O2 P2 Re -","- C40 H52 B O2 P2 Re -","- C320 H416 B8 O16 P16 Re8 -","8","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0585","0.0381","","","0.0503","0.0541","","","","","","1.095","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518803","12.2155","0.0009","18.9312","0.0014","20.4702","0.0016","90","","90","","90","","4733.8","0.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 N3 O Si2 Sr -","- C15 H39 N3 O Si2 Sr -","- C120 H312 N24 O8 Si16 Sr8 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0627","0.0346","","","0.0783","0.0913","","","","","","1.045","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518809","9.6613","0.0001","11.1387","0.0002","15.57","0.0002","90","","90","","90","","1675.55","0.04","295.51","0.14","295.51","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C32 H40 N56 O40 -","8","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","x-ray","1.54184","CuKα","","0.0407","0.0362","","","0.0993","0.104","","","","","","1.063","","","","has coordinates","266948","2021-07-04","01:25:29",""
"4518837","10.759","0.003","17.616","0.004","23.624","0.006","90","","90","","90","","4477","2","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.1487","0.0824","","","0.1726","0.2084","","","","","","1.131","","","","has coordinates","266701","2021-06-26","00:30:03",""
"4518838","10.7705","0.0019","17.623","0.003","23.643","0.004","90","","90","","90","","4487.6","1.3","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.0917","0.0499","","","0.1338","0.1612","","","","","","0.878","","","","has coordinates","266702","2021-06-26","00:30:21",""
"4518840","10.7726","0.0004","17.6372","0.0007","23.6168","0.0008","90","","90","","90","","4487.2","0.3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.0869","0.0503","","","0.1386","0.1708","","","","","","0.932","","","","has coordinates","266704","2021-06-26","00:31:08",""
"4518847","8.5156","0.0004","14.64","0.0004","20.2074","0.0005","90","","90","","90","","2519.22","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","10a","(3R,4R/3S,4S)-2-Acetamidotetrahydroselenophene-3,4-diyl diacetate","","- C10 H15 N O5 Se -","- C10 H15 N O5 Se -","- C80 H120 N8 O40 Se8 -","8","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","1.54187","CuKα","","0.0743","0.0671","","","0.1695","0.1775","","","","","","1.106","","","","has coordinates,has disorder","266744","2021-06-28","21:36:24",""
"4518873","10.5762","0.0002","12.2061","0.0002","34.8949","0.0006","90","","90","","90","","4504.73","0.14","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl Ir N4 O -","- C24 H26 Cl Ir N4 O -","- C192 H208 Cl8 Ir8 N32 O8 -","8","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0393","0.0294","","","0.0617","0.0661","","","","","","1.064","","","","has coordinates","267405","2021-07-08","21:32:34",""
"4518874","18.708","0.0003","9.78149","0.00014","24.7192","0.0004","90","","90","","90","","4523.42","0.12","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl Ir N4 -","- C23 H23 Br Cl Ir N4 -","- C184 H184 Br8 Cl8 Ir8 N32 -","8","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0627","0.0354","","","0.055","0.0626","","","","","","1.046","","","","has coordinates","267406","2021-07-08","21:33:03",""
"4518967","10.727","0.008","13.248","0.009","16.141","0.011","90","","90","","90","","2294","3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O2 Pd S2 -","- C24 H32 N2 O2 Pd S2 -","- C96 H128 N8 O8 Pd4 S8 -","4","0.5","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0215","0.0179","","","0.0459","0.0478","","","","","","1.039","","","","has coordinates","268399","2021-09-03","19:33:04",""
"4518979","11.5675","0.0011","15.2858","0.0015","18.2662","0.0017","90","","90","","90","","3229.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C160 H136 N8 O16 -","8","1","","Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro","Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst","ACS Catalysis","2021","11","16","10429","10435","10.1021/acscatal.1c02627","","","1.5418","CuKα","","0.0402","0.0368","","","0.0887","0.0908","","","","","","1.07","","","","has coordinates","268411","2021-09-03","19:38:38",""
"4518990","13.3874","0.0002","8.8532","0.0001","25.1701","0.0003","90","","90","","90","","2983.19","0.07","150","0.1","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-1","","- C13 H12 Mo N4 O4 -","- C13 H12 Mo N4 O4 -","- C104 H96 Mo8 N32 O32 -","8","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.077","","","","has coordinates","268419","2021-09-03","19:43:54",""
"4519029","18.8852","0.0006","16.4624","0.0005","24.9219","0.0008","90","","90","","90","","7748.1","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H43 B N4 O3 -","- C48 H43 B N4 O3 -","- C384 H344 B8 N32 O24 -","8","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.1076","0.0507","","","0.1022","0.126","","","","","","1.022","","","","has coordinates","269456","2021-10-03","18:12:47",""
"4519031","19.5388","0.0003","12.9417","0.0002","39.3208","0.0006","90","","90","","90","","9942.9","0.3","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H67 B N4 O3 -","- C60 H67 B N4 O3 -","- C480 H536 B8 N32 O24 -","8","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","1.54178","CuKα","","0.077","0.0735","","","0.183","0.1857","","","","","","1.06","","","","has coordinates,has disorder","269458","2021-10-03","18:13:49",""
"4519113","15.2336","0.0008","16.3399","0.0007","13.8528","0.0007","90","","90","","90","","3448.2","0.3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mn N2 O2 S4 -","- C10 H22 Mn N2 O2 S4 -","- C80 H176 Mn8 N16 O16 S32 -","8","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0958","0.0699","","","0.1928","0.2233","","","","","","1.052","","","","has coordinates","270253","2021-11-03","21:16:59",""
"4519132","15.2513","0.0008","13.8071","0.0008","20.4803","0.0012","90","","90","","90","","4312.7","0.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C160 H176 N32 O64 S16 -","8","1","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0885","0.0519","","","0.1162","0.1354","","","","","","1.058","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519198","8.1072","0.0008","7.8957","0.0009","20.389","0.002","90","","90","","90","","1305.1","0.2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C40 H88 N8 O16 -","8","1","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.0634","0.0515","","","0.1385","0.15","","","","","","1.063","","","","has coordinates","271693","2022-01-03","20:10:52",""
"4519323","8.7185","0.0004","10.9411","0.0004","18.8132","0.0007","90","","90","","90","","1794.59","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N6 O6 -","- C6 H4 N6 O6 -","- C48 H32 N48 O48 -","8","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0502","0.0339","","","0.0795","0.0888","","","","","","1.043","","","","has coordinates","273233","2022-03-03","19:54:29",""
"4519373","13.832","","12.061","","17.097","","90","","90","","90","","2852.25","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N -","- C10 H22 Br2 Cu N -","- C80 H176 Br16 Cu8 N8 -","8","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","x-ray","0.71073","MoKα","","0.0976","0.0383","","","0.0592","0.0708","","","","","","1.025","","","","has coordinates","274229","2022-04-03","18:55:16",""
"4519379","17.435","0.003","9.004","0.002","18.23","0.004","90","","90","","90","","2861.8","1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Bi F3 -","- C15 H14 Bi F3 -","- C120 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0353","0.0248","","","0.0568","0.0612","","","","","","1.051","","","","has coordinates","274235","2022-04-03","19:19:48",""
"4519380","9.7284","0.0004","9.7063","0.0004","30.3122","0.0014","90","","90","","90","","2862.3","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Bi F3 -","- C16 H14 Bi F3 -","- C128 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.038","0.0391","","","","","","1.151","","","","has coordinates","274236","2022-04-03","19:20:24",""
"5000148","13.182","0.002","11.574","0.002","10.709","0.002","90","","90","","90","","1633.86","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Choi, C. S.; Prince, E.","The crystal structure of cyclotrimethylenetrinitramine","Acta Crystallographica Section B","1972","28","9","2857","2862","10.1107/S0567740872007046","","","","","","","","","","","","","","","","","","","","","has coordinates","175351","2020-10-21","18:00:00",""
"5000150","9.78","0.01","26.94","0.01","12.82","0.01","90","","90","","90","","3377.73","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H3 N3 O6 -","- C6 H3 N3 O6 -","- C96 H48 N48 O96 -","16","2","","Choi, C. S.; Abel, J. E.","The crystal structure of 1,3,5-trinitrobenzene by neutron diffraction","Acta Crystallographica Section B","1972","28","1","193","201","10.1107/S0567740872002067","","","","","","","","","","","","","","","","","","","","","has coordinates","175351","2020-10-21","18:00:00",""
"5000252","16.168","0.004","21.497","0.005","12.631","0.004","90","","90","","90","","4390.08","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Keramaphidin B","","- C26 H40 N2 -","- C26 H40 N2 -","- C208 H320 N16 -","8","1","","Kobayashi, Jun'ichi; Tsuda, Masashi; Kawasaki, Naoko; Matsumoto, Keita; Adachi, Takashi","Keramaphidin B, a novel pentacyclic alkaloid from a marine sponge Amphimedon sp.: A plausible biogenetic precursor of manzamine alkaloids","Tetrahedron Letters","1994","35","25","4383","4386","10.1016/S0040-4039(00)73362-4","","","","","","","0.052","","","0.052","","","","","","","","","","","has coordinates","175434","2020-10-21","18:00:00",""
"5000319","23.106","0.003","8.3376","0.0009","25.77","0.003","90","","90","","90","","4964.6","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl3 Cr N4 O2 -","- C24 H26 Cl3 Cr N4 O2 -","- C192 H208 Cl24 Cr8 N32 O16 -","8","1","","","","","","","","","","","","","0.71069","MoKα","","","0.0543","","","","0.0427","","","","","","1.2179","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000335","17.4046","0.0019","19.453","0.002","26.918","0.003","90","","90","","90","","9113.8","1.7","103","","103","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H33 B F24 N2 Ru -","- C43 H33 B F24 N2 Ru -","- C344 H264 B8 F192 N16 Ru8 -","8","1","","","","","","","","","","","","","0.71069","MoKα","","","0.0565","","","","0.0472","","","","","","1.6213","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5000386","17.8435","0.0003","16.5212","0.0002","19.8756","0.0003","90","","90","","90","","5859.25","","","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","fac-Tricarbonyl-(1,3-bis(diphenylphosphino)propane-P,P')-(formato-O)-rhenium(i)","","- C31 H27 O5 P2 Re -","- C31 H27 O5 P2 Re -","- C248 H216 O40 P16 Re8 -","8","1","","Williams, M. T.; McEachin, C.; Becker, T. M.; Ho, D. M.; Mandal, S. K.","Synthesis and X-ray structures of manganese(I) and rhenium(I) formato complexes, fac-(CO)~3~(dppp)M—OC(H)O","Journal of Organometallic Chemistry","2000","599","2","308","312","10.1016/S0022-328X(99)00743-3","","","","","","","3.14","","","3.14","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5900014","10.67","","8.67","","6.16","","90","","90","","90","","569.85","","","","","","","","","","","","","4","P b c a","","61","","N,N'-Dinitroethanediamine","","- C2 H6 N4 O4 -","- C2 N4 O4 -","- C8 N16 O16 -","4","0.5","","Llewellyn, F. J.; Whitmore, F. E.","The crystal structure of s-bisnitroaminoethane (ethylene dinitroamine)","Journal of the Chemical Society","1948","","","1316","1323","10.1039/JR9480001316","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900028","6.94","","5.77","","19.22","","90","","90","","90","","769.64","","","","","","","","","","","","","3","P b c a","","61","","Propyltrimethylhydrazine","","- C6 H16 N2 -","- C6 H16 N2 -","- C24 H64 N8 -","4","0.5","","Binnie, W. P.; Robertson, J. M.","The crystal structure of hexamethylenediamine","Acta Crystallographica","1950","3","6","424","429","10.1107/S0365110X50001245","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910291","7.42","","11.69","","14.72","","90","","90","","90","","1276.81","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","anhydrous potassium pentaborate","","- B5 K O8 -","- B320 K64 O512 -","- B320 K64 O512 -","","","","Wyckoff, R. W. G.","Pages 469-471 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","469","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000130","10.155","","7.4649","","16.8814","","90","","90","","90","","1279.71","","","","4.5","","","","","","","","","2","P b c a","","","","","","- C8 D10 -","","","","","","Ibberson, R. M.; David, W. I. F.; Parsons, S.; Prager, M.; Shankland, K.","The crystal structures of m-xylene and p-xylene, C8D10, at 4.5 k","Journal of Molecular Structure","2000","524","","121","128","10.1016/S0022-2860(99)00448-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000142","13.952","","12.602","","11.524","","90","","90","","90","","2026.19","","","","","","","","","","","","","3","P b c a","","","","","","- Na2 Se5 Sn2 -","","","","","","Klepp, K. O.; Hainz, M.","Preparation and crystal structure of Na2Sn2Se5 - a novel chalcogenostannate(IV) with layered complex anions","Zeitschrift Fur Anorganische Und Allgemeine Chemie","2000","626","","863","866","10.1002/(SICI)1521-3749(200004)626:4<863::AID-ZAAC863>3.0.CO;2-N","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000261","11.2416","","11.2572","","11.0791","","90","","90","","90","","1402.05","","","","","","","","","","","","","3","P b c a","","","","","","- O14 Sr5 U3 -","","","","","","Cordfunke, E. H. P.; Huntelaar, M. E.; Ijdo, D. J. W.","The structure of BaSr4U3O14 and a structural and thermodynamic characterization of Sr5U3O14","Journal of Solid State Chemistry","1999","146","","144","150","10.1006/jssc.1999.8320","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000413","25.841","0.005","12.186","0.002","7.739","0.002","90","","90","","90","","2437","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H8 K2 O8 S -","- C7 H8 K2 O8 S -","- C56 H64 K16 O64 S8 -","8","1","","Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.","The crystal structure and the second harmonic generation efficiency of the sulfosalicylate","Acta Physico-chimica Sinica","1998","14","9","778","783","10.3866/PKU.WHXB19980903","","","","","","0.0308","","","0.0373","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000544","15.5111","","5.8788","","9.5261","","90","","90","","90","","868.65","","","","1.5","","","","","","","","","3","P b c a","","","","","","- C Cl3 F -","","","","","","Cockcroft, J. K.; Fitch, A. N.","Structure of solid trichlorofluoromethane, CFCl3, by powder neutron-diffraction","Zeitschrift für Kristallographie","1994","209","6","488","490","10.1524/zkri.1994.209.6.488","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000568","6.559","","9.169","","6.775","","90","","90","","90","","407.44","","","","13","","","","","","","","","3","P b c a","","","","","","- C D2 N2 -","","","","","","Torrie, B. H.; Vondreele, R.; Larson, A. C.","Structure of solid cyanamide at 13-K","Molecular Physics","1992","76","","405","410","10.1080/00268979200101421","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000578","9.171","","9.456","","8.675","","90","","90","","90","","752.3","","","","","","","","","","","","","3","P b c a","","","","","","- Fe O4 P -","","","","","","Song, Y. N.; Zavalij, P. Y.; Suzuki, M.; Whittingham, M. S.","New iron(III) phosphate phases: Crystal structure and electrochemical and magnetic properties","Inorganic Chemistry","2002","41","","5778","5786","10.1021/ic025688q","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000579","12.4823","0.0006","9.1699","0.0004","19.5647","0.0009","90","","90","","90","","2239.4","0.18","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cu Mo N2 O4 -","- C10 H8 Cu Mo N2 O4 -","- C80 H64 Cu8 Mo8 N16 O32 -","8","1","","Randy S. Rarig; Robert Lam; Peter Y. Zavalij; J. Katana Ngala; Robert L. LaDuca,; John E. Greedan; Jon Zubieta","Ligand influences on copper molybdate networks: The structures and magnetism of [Cu(3,4 '-bpy)MoO4], [Cu(3,3 '-bpy)(0.5)MoO4], and [Cu(4,4 '-bpy)(0.5)MoO4].1.5H(2)O","Inorganic Chemistry","2002","41","8","2124","2133","10.1021/ic0111536","","","0.71073","MoKα","","0.0447","0.0299","","","0.0667","0.0706","","","","","","1.06","","","","has coordinates","176292","2020-10-21","18:00:00",""
"6000600","10.313","","11.049","","28.024","","90","","90","","90","","3193.29","","","","","","","","","","","","","3","P b c a","","","","","","- C18 H26 O -","","","","","","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. III. Structures of 6-acetyl-1,1,2,3,3,5-hexamethylindan (musk phantolid)(I) and 6-acetyl-3-isopropyl-1,1,3,5-tetramethylindan(II)","Acta Crystallographica Section C","1991","47","5","1044","1047","10.1107/S0108270190010435","","","","","","","","","","","","","","","","","","","","","","188609","2020-10-21","18:00:00",""
"6000729","11.834","","12.973","","13.531","","90","","90","","90","","2077.31","","","","","","","","","","","","","4","P b c a","","","","","","- H8 La N3 O13 -","","","","","","Gobichon, A. E.; Louer, M.; Auffredic, J. P.; Louer, D.","Structure determination of two polymorphic phases of La(NO3)(3).4H(2)O from X-ray powder diffraction","Journal of Solid State Chemistry","1996","126","","127","134","10.1006/jssc.1996.0320","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000750","7.7888","","6.6973","","6.8413","","90","","90","","90","","356.87","","","","5","","","","","","","","","1","P b c a","","","","","","- O3 -","","","","","","Marx, R.; Ibberson, R. M.","Powder diffraction study on solid ozone","Solid State Sciences","2001","3","","195","202","10.1016/S1293-2558(00)01131-6","","","","","","","","","","","","","","","","","","","","","","201984","2020-10-21","18:00:00",""
"7000028","10.707","0.004","21.664","0.009","34.608","0.014","90","","90","","90","","8028","6","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Cl2 Ga3 Rh -","- C40 H60 Cl2 Ga3 Rh -","- C320 H480 Cl16 Ga24 Rh8 -","8","1","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1059","0.1182","","","","","","1.078","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000032","15.283","0.003","11.742","0.002","17.902","0.004","90","","90","","90","","3212.6","1.1","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Ga2 Rh2 -","- C34 H40 Ga2 Rh2 -","- C136 H160 Ga8 Rh8 -","4","0.5","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","55","62","10.1039/b408632e","","","0.71073","MoKα","","0.0561","0.0371","","","0.0906","0.1002","","","","","","1.025","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000051","16.799","0.004","12.289","0.003","17.633","0.004","90","","90","","90","","3640.2","1.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H28 Au Br N2 O -","- C15 H28 Au Br N2 O -","- C120 H224 Au8 Br8 N16 O8 -","8","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.098","0.048","","0.069","","0.059","","","1.012","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000052","15.583","0.002","12.61","0.001","18.461","0.002","90","","90","","90","","3627.6","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Au Br Cl3 N2 -","- C12 H21 Au Br Cl3 N2 -","- C96 H168 Au8 Br8 Cl24 N16 -","8","1","","Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","37","43","10.1039/b412540a","","","0.71073","MoKα","","0.081","0.035","","0.049","","0.043","","","0.954","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000069","15.2636","0.0018","17.995","0.002","18.335","0.002","90","","90","","90","","5036","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound 7","","","- C25 H23 Cl Ga N P2 S2 -","- C25 H23 Cl Ga N P2 S2 -","- C200 H184 Cl8 Ga8 N8 P16 S16 -","8","1","","Muñoz-Hernández, Miguel-Angel; Montiel-Palma, Virginia; Huitrón-Rattinger, Estefanía; Cortés-Llamas, Sara; Tiempos-Flores, Norma; Grevy, Jean-Michel; Silvestru, Cristian; Power, Philip","Dichloro and alkylchloro gallium derivatives of dichalcogenoimidodiphosphinate ligands: isolation of a spirogallium cation.","Dalton transactions (Cambridge, England : 2003)","2005","","1","193","199","10.1039/b412874e","","","0.71073","MoKα","","0.0566","0.0514","","","0.1427","0.1458","","","","","","1.107","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000085","20.6547","0.0002","19.9776","0.0002","21.4828","0.0002","90","","90","","90","","8864.48","0.15","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Fe6O2(OH)2(piv)10(dipaH2)2).2MeCN.3H2O","","","- C66 H132 Fe6 N4 O31 -","- C62 H124 Fe6 N2 O30 -","- C248 H496 Fe24 N8 O120 -","4","0.5","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Cashion, John D.; Berry, Kevin J.; Murray, Keith S.","The role of diisopropanolamine (dipaH3) in cluster dimerisation and polymerisation: from spin frustrated S= 5 FeIII 6 clusters to the novel 1-D covalent polymer of mixed valence [CoII3CoIII] tetramers.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3344","3352","10.1039/b504270d","","","0.71073","MoKα","","0.0755","0.054","","","0.1586","0.1679","","","","","","1.106","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000096","12.225","0.003","16.783","0.004","32.714","0.007","90","","90","","90","","6712","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H54 N6 P2 Si2 -","- C26 H53 N6 P2 Si2 -","- C208 H424 N48 P16 Si16 -","8","1","","Schranz, Ingo; Lief, Graham R.; Carrow, Christopher J.; Haagenson, Dana C.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.; Boomishankar, Ramamoorthy; Steiner, Alexander","Reversal of polarization in amidophosphines: neutral- and anionic-kappaP coordination vs. anionic-kappaP,N coordination and the formation of nickelaazaphosphiranes.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3307","3318","10.1039/b507040f","","","0.71073","MoKα","","0.0813","0.0547","","","0.1352","0.1533","","","","","","1.037","","","","has coordinates,has disorder","179678","2020-10-21","18:00:00",""
"7000158","18.9186","0.0011","8.1263","0.0005","24.8022","0.0014","90","","90","","90","","3813","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 Cu N3 O10 -","- C13 H13 Cl2 Cu N3 O10 -","- C104 H104 Cl16 Cu8 N24 O80 -","8","1","","Chen, Xu-Dong; Mak, Thomas C. W.","Single-strand helical complexes constructed from 2-pyridinyl-3-pyridinylmethanone: tuning the helical pitch length by variation of metal cation and/or counter anion.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3646","3652","10.1039/b510569b","","","0.71073","MoKα","","0.06","0.0466","","","0.1131","0.1235","","","","","","1.169","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000168","12.723","0.003","11.954","0.003","22.007","0.006","90","","90","","90","","3347.1","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H26 Cl2 P2 Pt -","- C13 H26 Cl2 P2 Pt -","- C104 H208 Cl16 P16 Pt8 -","8","1","","Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Papp, Rainer","Stereoelectronic effects in a homologous series of bidentate cyclic phosphines. A clear correlation of hydroformylation catalyst activity with ring size","Dalton Transactions","2009","","1","202","209","10.1039/b815056g","","","0.71073","MoKα","","0.0474","0.0292","","","0.0643","0.0706","","","","","","1.004","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000204","11.2537","0.0002","21.1315","0.0005","23.8492","0.0005","90","","90","","90","","5671.5","0.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Mg((Me2pz)2C(C6H2(tBu)2O)Bu","Mg{(Me2pz)2C(C6H2(tBu)2O}Bu","","- C29 H44 Mg N4 O -","- C29 H44 Mg N4 O -","- C232 H352 Mg8 N32 O8 -","8","1","","Schofield, A. Daniel; Barros, Mariana Luna; Cushion, Michael G.; Schwarz, Andrew D.; Mountford, Philip","Sodium, magnesium and zinc complexes of mono(phenolate) heteroscorpionate ligands","Dalton Transactions","2009","","1","85","96","10.1039/b813116c","","","0.71073","MoKα","","0.1078","0.0509","","0.0919","0.0594","0.0594","","","","","","1.0938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000221","17.288","0.0003","14.8886","0.0002","19.7071","0.0003","90","","90","","90","","5072.49","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Br4 N6 Zn2 -","- C18 H24 Br4 N6 Zn2 -","- C144 H192 Br32 N48 Zn16 -","8","1","","Lee, Yong-Min; Kim, Eun-Sook; Kim, Hee-Jin; Choi, Hee Jung; Kim, Young-Inn; Kang, Sung Kwon; Choi, Sung-Nak","Selective complexation of 3d metal(ii) ions with multidentate and chiral isomers derived from condensation of 2-pyridinecarboxaldehyde with triethylenetetramine","Dalton Transactions","2009","","1","126","133","10.1039/b815621b","","","0.71073","MoKα","","0.0341","0.0225","","","0.0413","0.0437","","","","","","1.033","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000288","14.0027","0.0003","13.6908","0.0004","20.8482","0.0007","90","","90","","90","","3996.8","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl2 Cu2 N8 O12 -","- C36 H44 Cl2 Cu2 N8 O12 -","- C144 H176 Cl8 Cu8 N32 O48 -","4","0.5","","Lee, Young Hoon; Harrowfield, Jack M.; Kim, Jong Seung; Kim, Yang; Lee, Min Hee; Lim, Woo Taik; Park, Yu Cheol; Thuéry, Pierre","Functionalised azetidines as ligands: species derived by selective alkylation at substituent-nitrogen","Dalton Transactions","2009","","3","443","454","10.1039/b812298a","","","0.71073","MoKα","","0.0476","0.0379","","","0.0989","0.1035","","","","","","1.043","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000321","12.8867","0.0007","12.6332","0.0008","15.1797","0.0009","90","","90","","90","","2471.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Cs3 F H2 O11 V2 -","- Cs3 F H2 O11 V2 -","- Cs24 F8 H16 O88 V16 -","8","1","","Chrappová, Jana; Schwendt, Peter; Sivák, Michal; Repiský, Michal; Malkin, Vladimir G.; Marek, Jaromír","Dinuclear fluoro-peroxovanadium(v) complexes with symmetric and asymmetric peroxo bridges: syntheses, structures and DFT studies","Dalton Transactions","2009","","3","465","473","10.1039/b813228c","","","0.71073","MoKα","","0.0213","0.0194","","","0.0421","0.0429","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000359","17.9771","0.0003","9.5527","0.0001","22.9326","0.0003","90","","90","","90","","3938.21","0.09","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H40 P2 Pt -","- C52 H40 P2 Pt -","- C208 H160 P8 Pt4 -","4","0.5","","Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J.","Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4)","Dalton Transactions","2009","","4","610","","10.1039/b809960j","","","0.71073","Mo-Kα","","0.0296","0.0181","","","0.0481","0.0508","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000402","12.4127","0.0002","12.1868","0.0002","29.9491","0.0004","90","","90","","90","","4530.43","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H35 B18 Co N2 -","- C10 H35 B18 Co N2 -","- C80 H280 B144 Co8 N16 -","8","1","","Šícha, Václav; Plešek, Jaromír; Kvíčalová, Magdalena; Císařová, Ivana; Grüner, Bohumír","Boron(8) substituted nitrilium and ammonium derivatives, versatile cobalt bis(1,2-dicarbollide) building blocks for synthetic purposes","Dalton Transactions","2009","","5","851","860","10.1039/b814941k","","","0.71073","MoKα","","0.044","0.0351","","","0.086","0.0907","","","","","","1.027","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000459","16.616","0.003","20.009","0.004","31.64","0.006","90","","90","","90","","10519","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H79 Mo6 N3 O18 -","- C35 H79 Mo6 N3 O18 -","- C280 H632 Mo48 N24 O144 -","8","1","","Li, Qiang; Wang, Longsheng; Yin, Panchao; Wei, Yongge; Hao, Jian; Zhu, Yulin; Zhu, Li; Yuan, Gu","Convenient syntheses and structural characterizations of mono-substituted alkylimido hexamolybdates: [Mo6O18(NR)]2− (R = Me, Et, n-Pr, i-Pr, n-Bu, t-Bu, Cy, Hex, Ode)","Dalton Transactions","2009","","7","1172","1179","10.1039/b813924e","","","0.71073","MoKα","","0.0509","0.0404","","","0.1043","0.1101","","","","","","1.028","","","","has coordinates,has disorder","209566","2020-10-21","18:00:00",""
"7000461","16.8504","0.0008","20.0036","0.001","31.6503","0.0015","90","","90","","90","","10668.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H81 Mo6 N3 O18 -","- C36 H81 Mo6 N3 O18 -","- C288 H648 Mo48 N24 O144 -","8","1","","Li, Qiang; Wang, Longsheng; Yin, Panchao; Wei, Yongge; Hao, Jian; Zhu, Yulin; Zhu, Li; Yuan, Gu","Convenient syntheses and structural characterizations of mono-substituted alkylimido hexamolybdates: [Mo6O18(NR)]2− (R = Me, Et, n-Pr, i-Pr, n-Bu, t-Bu, Cy, Hex, Ode)","Dalton Transactions","2009","","7","1172","1179","10.1039/b813924e","","","0.71073","MoKα","","0.0736","0.0509","","","0.1175","0.1351","","","","","","1.127","","","","has coordinates,has disorder","209566","2020-10-21","18:00:00",""
"7000495","21.5322","0.0009","18.5174","0.0006","24.3085","0.0011","90","","90","","90","","9692.3","0.7","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Chromium (calix(4)arene-H) acetonitrile adduct dimer","","","- C104 H137 Cr2 N2 O12.5 -","- C104 H136 Cr2 N2 O12.5 -","- C416 H544 Cr8 N8 O50 -","4","0.5","","Redshaw, Carl; Homden, Damien; Hughes, David L.; Wright, Joseph A.; Elsegood, Mark R. J.","New structural motifs in chromium(iii) calix[4 and 6]arene chemistry","Dalton Transactions","2009","","7","1231","1242","10.1039/b813313a","","","0.71073","Mo-Kα","","0.0928","0.0549","","","0.1341","0.1502","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7000562","16.946","0.0004","17.7288","0.0005","18.2916","0.0004","90","","90","","90","","5495.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 Li O5 Zn3 -","- C19 H45 Li O5 Zn3 -","- C152 H360 Li8 O40 Zn24 -","8","1","","Jana, Surajit; Aksu, Yilmaz; Driess, Matthias","One-pot synthesis of lithium alkylzinc alkoxo heterocubanes with a LiZn3O4 core as suitable organometallic precursors for Li-containing ZnO nanocrystals","Dalton Transactions","2009","","9","1516","1521","10.1039/b816623d","","","0.71073","MoKα","","0.0627","0.0291","","","0.0557","0.062","","","","","","0.871","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000575","10.6539","0.0013","16.736","0.002","19.095","0.002","90","","90","","90","","3404.7","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H5 B F10 -","- C18 H5 B F10 -","- C144 H40 B8 F80 -","8","1","","Welch, Gregory C.; Prieto, Roberto; Dureen, Meghan A.; Lough, Alan J.; Labeodan, Oijsamola A.; Höltrichter-Rössmann, Thorsten; Stephan, Douglas W.","Reactions of phosphines with electron deficient boranes","Dalton Transactions","2009","","9","1559","1570","10.1039/b814486a","","","0.71073","MoKα","","0.1022","0.0484","","","0.1241","0.1534","","","","","","1.002","","","","has coordinates","209563","2020-10-21","18:00:00",""
"7000677","7.52","0.0001","14.0124","0.0002","14.774","0.0002","90","","90","","90","","1556.78","0.04","100","2","100","2","","","","","","","sodium nitrotetrazolate was treated with diethylamine and copper chloride. the solvent used was ethanol.","5","P b c a","-P 2ac 2ab","61","copper ethylendiamine 5-nitrotetrazolate","copper ethylendiamine 5-nitrotetrazolate","","- C6 H16 Cu N14 O4 -","- C6 H16 Cu N14 O4 -","- C24 H64 Cu4 N56 O16 -","4","0.5","","Klapötke, Thomas M.; Sabaté, Carles Miró","Safe 5-nitrotetrazolate anion transfer reagents","Dalton Transactions","2009","","10","1835","1841","10.1039/b818900p","","","0.71073","MoKα","","0.0448","0.0302","","","0.0606","0.071","","","","","","1.184","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000680","13.595","0.004","15.297","0.004","15.395","0.004","90","","90","","90","","3201.6","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Cl N3 Ti -","- C15 H22 Cl N3 Ti -","- C120 H176 Cl8 N24 Ti8 -","8","1","","Zhang, Jie; Han, Fuyan; Han, Yanan; Chen, Zhenxia; Zhou, Xigeng","Synthesis and structures of titanium and yttrium complexes with N,N′-tetramethylguanidinate ligands: different reactivity of the M‒N bonds toward phenyl isocyanate","Dalton Transactions","2009","","10","1806","1811","10.1039/b817776g","","","0.71073","MoKα","","0.098","0.0537","","","0.1184","0.1396","","","","","","1.005","","","","has coordinates","179684","2020-10-21","18:00:00",""
"7000739","18.32","0.0003","18.9064","0.0003","45.7263","0.0008","90","","90","","90","","15838","0.5","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H96 B2 Ir2 N P Si -","- C90 H95 B2 Ir2 N P Si -","- C720 H760 B16 Ir16 N8 P8 Si8 -","8","1","","Takahashi, Yoshinori; Murakami, Naoaki; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis and reactivity of homo- and hetero-dimetallic complexes bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity of alkyne insertion into unsaturated M1(μ-PPh2Py)(μ-H)2M2 moieties","Dalton Transactions","2009","","11","2029","2042","10.1039/b815890h","","","0.71075","MoKα","","","0.0452","","","","0.0614","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000890","15.2928","0.0017","13.644","0.0016","15.9287","0.0018","90","","90","","90","","3323.6","0.7","388","2","388","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Co O2 P -","- C18 H18 Co O2 P -","- C144 H144 Co8 O16 P8 -","8","1","","Godard, Cyril; Duckett, Simon B.; Polas, Stacey; Tooze, Robert; Whitwood, Adrian C.","An NMR study of cobalt-catalyzed hydroformylation using para-hydrogen induced polarisation","Dalton Transactions","2009","","14","2496","2509","10.1039/b815853c","","","0.71073","MoKα","","0.0736","0.0511","","","0.1133","0.1227","","","","","","1.061","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000903","12.0483","0.0015","25.569","0.003","26.479","0.002","90","","90","","90","","8157.2","1.5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H40 N6 Ni O4 P2 S4 -","- C38 H40 N6 Ni O4 P2 S4 -","- C304 H320 N48 Ni8 O32 P16 S32 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Investigation on the reactivity of dithiophosphonato/dithiophosphato NiII complexes towards 2,4,6-tris-2-pyridyl-1,3,5-triazine: developments and new perspectives","Dalton Transactions","2009","","14","2510","2520","10.1039/b819326f","","","0.71073","MoKα","","0.1266","0.0666","","","0.1319","0.1527","","","","","","1.082","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000994","8.3709","0.0003","16.8468","0.0005","48.0255","0.0016","90","","90","","90","","6772.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 B N2 O -","- C19 H21 B N2 O -","- C304 H336 B16 N32 O16 -","16","2","","Weber, Lothar; Werner, Vanessa; Fox, Mark A.; Marder, Todd B.; Schwedler, Stefanie; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate","Synthetic, structural, photophysical and computational studies on 2-arylethynyl-1,3,2-diazaboroles","Dalton Transactions","2009","","15","2823","2831","10.1039/b821208b","","","0.71073","MoKα","","0.089","0.0449","","","0.0949","0.1087","","","","","","0.969","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7001008","14.1065","0.0002","16.5232","0.0003","19.4059","0.0003","90","","90","","90","","4523.21","0.13","123","2","123","2","","","","","","","toluene","5","P b c a","-P 2ac 2ab","61","[AlBr2H(IMes)]","","","- C21 H25 Al Br2 N2 -","- C21 H25 Al Br2 N2 -","- C168 H200 Al8 Br16 N16 -","8","1","","Alexander, Sean G.; Cole, Marcus L.; Furfari, Samantha K.; Kloth, Marc","Hydride‒bromide exchange at an NHC—a new route to brominated alanes and gallanes","Dalton Transactions","2009","","16","2909","2911","10.1039/b821367d","","x-ray","0.71073","MoKα","","0.1176","0.0537","","","0.117","0.1403","","","","","","1.021","","","","has coordinates","209586","2020-10-21","18:00:00",""
"7001065","19.1117","0.0019","11.0948","0.001","21.533","0.002","90","","90","","90","","4565.9","0.7","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DAP-B-039","","","- C17 H40 N6 Ni O3 -","- C17 H40 N6 Ni O3 -","- C136 H320 N48 Ni8 O24 -","8","1","","Powell-Jia, Darla; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Borovik, A. S.","A structure and reactivity analysis of monomeric Ni(ii)‒hydroxo complexes prepared from water","Dalton Transactions","2009","","16","2986","2992","10.1039/b820209e","","","0.71073","MoKα","","0.0799","0.0675","","","0.2034","0.2208","","","","","","1.055","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7001166","14.643","0.003","17.39","0.004","33.613","0.007","90","","90","","90","","8559","3","303","2","303","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H42 B Cu4 N11 S7 W -","- C27 H41 B Cu4 N11 S7 W -","- C216 H328 B8 Cu32 N88 S56 W8 -","8","1","","Wei, Zhen-Hong; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Zhang, Yong; Sun, Zhen-Rong","Stepwise addition of CuNCS onto [Et4N][Tp*WS3]: Design, syntheses, structures and third-order nonlinear optical properties","Dalton Transactions","2009","","18","3425","3433","10.1039/b822858b","","","0.71073","MoKα","","0.1174","0.0972","","","0.2547","0.2649","","","","","","1.318","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001172","16.5129","0.0007","17.2053","0.0008","22.4464","0.0007","90","","90","","90","","6377.2","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 I N6 O2 U -","- C30 H30 I N6 O2 U -","- C240 H240 I8 N48 O16 U8 -","8","1","","Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions","Dalton Transactions","2009","","18","3478","3494","10.1039/b820659g","","","0.71073","MoKα","","0.0719","0.0429","","","0.0877","0.0948","","","","","","1.08","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001229","19.3065","0.0011","10.2522","0.0005","37.1457","0.0018","90","","90","","90","","7352.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H39 F3 O P3 Rh -","- C41 H39 F3 O P3 Rh -","- C328 H312 F24 O8 P24 Rh8 -","8","1","","Vicente, José; Gil-Rubio, Juan; Guerrero-Leal, Juan; Bautista, Delia","Synthesis of rhodium(i) and rhodium(iii) perfluoroalkyl complexes from [Rh(μ-OH)(COD)]2","Dalton Transactions","2009","","19","3854","3866","10.1039/b822738a","","","0.71073","MoKα","","0.0416","0.0352","","","0.0821","0.0849","","","","","","1.113","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001263","17.166","0.003","12.357","0.002","29.58","0.005","90","","90","","90","","6274.5","1.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H37 I3 O4 U -","- C25 H37 I3 O4 U -","- C200 H296 I24 O32 U8 -","8","1","","Schnaars, David D.; Wu, Guang; Hayton, Trevor W.","Reactivity of UI4(OEt2)2 with phenols: probing the chemistry of the U‒I bond","Dalton Transactions","2009","","19","3681","3687","10.1039/b823002a","","","0.71073","MoKα","","0.1966","0.0618","","","0.1393","0.1889","","","","","","1.254","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001265","23.0285","0.0016","13.3321","0.0009","23.6112","0.0017","90","","90","","90","","7249.1","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H50 I2 O5 U -","- C32 H50 I2 O5 U -","- C256 H400 I16 O40 U8 -","8","1","","Schnaars, David D.; Wu, Guang; Hayton, Trevor W.","Reactivity of UI4(OEt2)2 with phenols: probing the chemistry of the U‒I bond","Dalton Transactions","2009","","19","3681","3687","10.1039/b823002a","","","0.71073","MoKα","","0.167","0.0813","","","0.1324","0.1586","","","","","","0.987","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001343","14.5581","0.0015","14.8892","0.0015","26.743","0.003","90","","90","","90","","5796.8","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Cl2 F6 N6 P Rh -","- C24 H32 Cl2 F5.994 N6 P Rh -","- C192 H256 Cl16 F47.952 N48 P8 Rh8 -","8","1","","Hallett, Andrew J.; Anderson, Kirsty M.; Connelly, Neil G.; Haddow, Mairi F.","Bonding modes, structures and fluxionality in rhodium and iridium tris(3,5-dimethylpyrazolyl)methane diene complexes","Dalton Transactions","2009","","21","4181","4189","10.1039/b900817a","","","0.71073","MoKα","","0.1027","0.0544","","","0.1318","0.1475","","","","","","1.028","","","","has coordinates,has disorder","179710","2020-10-21","18:00:00",""
"7001363","13.015","0.0012","11.8082","0.0011","18.5614","0.0017","90","","90","","90","","2852.6","0.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H9 Fe I2 O6 P -","- C6 H9 Fe I2 O6 P -","- C48 H72 Fe8 I16 O48 P8 -","8","1","","Zhang, Wei-Qiang; Atkin, Anthony J.; Thatcher, Robert J.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Lynam, Jason M.","Diversity and design of metal-based carbon monoxide-releasing molecules (CO-RMs) in aqueous systems: revealing the essential trends","Dalton Transactions","2009","","22","4351","4358","10.1039/b822157j","","","0.71073","MoKα","","0.0296","0.0279","","","0.055","0.0556","","","","","","1.211","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001380","17.408","0.003","17.549","0.003","17.68","0.003","90","","90","","90","","5401.1","1.6","290","2","290","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","manuscript number B901192G","manuscript number B901192G","","- C22 H41 N Ni O P2 S -","- C22 H41 N Ni O P2 S -","- C176 H328 N8 Ni8 O8 P16 S8 -","8","1","","Ariyananda, Piyal W. G.; Kieber-Emmons, Matthew T.; Yap, Glenn P. A.; Riordan, Charles G.","Synthetic analogs for evaluating the influence of N‒H⋯S hydrogen bonds on the formation of thioester in acetyl coenzyme a synthase","Dalton Transactions","2009","","22","4359","4369","10.1039/b901192g","","","0.71073","MoKα","","0.23","0.0798","","","0.1627","0.2257","","","","","","1.001","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001398","13.138","0.002","15.313","0.0018","16.625","0.002","90","","90","","90","","3344.7","0.8","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cp*Ti(Me)(ONMeCH2)2","","","- C15 H28 N2 O2 Ti -","- C15 H28 N2 O2 Ti -","- C120 H224 N16 O16 Ti8 -","8","1","","Willner, Alexander; Niemeyer, Jochen; Mitzel, Norbert W.","Bis-hydroxylaminato group 4 half-sandwich complexes—syntheses, structures and polymerisation activity studies","Dalton Transactions","2009","","23","4473","4480","10.1039/b821786f","","","0.71073","MoKα","","0.1149","0.1103","","","0.2468","0.249","","","","","","1.32","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001415","10.7267","0.001","25.698","0.002","17.4365","0.0015","90","","90","","90","","4806.5","0.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(11,12-benzo-1,5,9-triselenacyclotridec-11-ene)trimethylplatinum iodide dichloromethane solvate","","- C17.13 H29.26 Cl0.26 I Pt Se3 -","- C17 H29 Cl0.256 I Pt Se3 -","- C136 H232 Cl2.048 I8 Pt8 Se24 -","8","1","","Levason, William; Manning, Joanna M.; Reid, Gillian; Tuggey, Matthew; Webster, Michael","Selenoether macrocyclic chemistry‒syntheses and ligand properties of new small-ring Se3- and Se2N-donor macrocycles","Dalton Transactions","2009","","23","4569","4577","10.1039/b900321e","","","0.71073","MoKα","","0.0442","0.0364","","","0.081","0.0846","","","","","","1.151","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001416","12.534","0.003","22.046","0.006","17.858","0.005","90","","90","","90","","4935","2","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(3,12-diselena-18-aza-tricyclo[12.3.1.0^5,10^]octadeca- 1(17),5,7,9,14(18),15-hexaene)trimethylplatinum iodide chloroform solvate","","- C19 H25 Cl3 I N Pt Se2 -","- C19 H25 Cl3 I N Pt Se2 -","- C152 H200 Cl24 I8 N8 Pt8 Se16 -","8","1","","Levason, William; Manning, Joanna M.; Reid, Gillian; Tuggey, Matthew; Webster, Michael","Selenoether macrocyclic chemistry‒syntheses and ligand properties of new small-ring Se3- and Se2N-donor macrocycles","Dalton Transactions","2009","","23","4569","4577","10.1039/b900321e","","","0.71073","MoKα","","0.1676","0.0981","","","0.1726","0.205","","","","","","1.127","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001433","21.719","0.002","19.171","0.002","25.914","0.003","90","","90","","90","","10790","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H68 N4 O1.5 P2 Si2 Y -","- C56 H68 N4 O1.5 P2 Si2 Y -","- C448 H544 N32 O12 P16 Si16 Y8 -","8","1","","Mills, David P.; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Liddle, Stephen T.","Synthesis and reactivity of the yttrium-alkyl-carbene complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})","Dalton Transactions","2009","","23","4547","4555","10.1039/b902079a","","","0.71073","MoKα","","0.1251","0.0522","","","0.1117","0.1428","","","","","","0.987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7001450","14.4325","0.0005","21.6686","0.0008","19.2039","0.0007","90","","90","","90","","6005.7","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27.5 H23 Br2 F10 Ge N3 -","- C27.5 H23 Br2 F10 Ge N3 -","- C220 H184 Br16 F80 Ge8 N24 -","8","1","","Lermontova, El'mira Kh.; Huan, MengMeng; Churakov, Andrei V.; Howard, Judith A. K.; Zabalov, Maxim V.; Karlov, Sergey S.; Zaitseva, Galina S.","Novel derivatives of hypervalent germanium: synthesis, structure, and stability","Dalton Transactions","2009","","24","4695","4702","10.1039/b901885a","","","0.71073","MoKα","","0.0919","0.0667","","","0.1709","0.1791","","","","","","1.195","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7001464","11.619","0.01","12.483","0.008","17.385","0.016","90","","90","","90","","2522","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 N5 Ni O -","- C11 H15 N5 Ni O -","- C88 H120 N40 Ni8 O8 -","8","1","","Mukhopadhyay, Bhaswati Ghosh; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.","Synthesis of mono- and bis-tetrazolato complexes of Ni(II), Pt(II) and Cu(II) via 1,3-dipolar cycloadditions of 2-cyanopyridines with metal ligated azides in N,N,O-aminoiminophenolato complexes","Dalton Transactions","2009","","24","4778","4785","10.1039/b902007a","","","0.71073","MoKα","","0.0688","0.0426","","","0.1257","0.1579","","","","","","0.834","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001465","10.974","0.0009","11.5679","0.001","19.0234","0.0017","90","","90","","90","","2414.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H15 Cl N2 O Pt -","- C11 H15 Cl N2 O Pt -","- C88 H120 Cl8 N16 O8 Pt8 -","8","1","","Mukhopadhyay, Bhaswati Ghosh; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.","Synthesis of mono- and bis-tetrazolato complexes of Ni(II), Pt(II) and Cu(II) via 1,3-dipolar cycloadditions of 2-cyanopyridines with metal ligated azides in N,N,O-aminoiminophenolato complexes","Dalton Transactions","2009","","24","4778","4785","10.1039/b902007a","","","0.71069","MoKα","","0.0249","0.0182","","","0.0413","0.0442","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001466","11.6391","0.0007","12.794","0.0006","17.4002","0.0009","90","","90","","90","","2591.1","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 N5 O Pt -","- C11 H15 N5 O Pt -","- C88 H120 N40 O8 Pt8 -","8","1","","Mukhopadhyay, Bhaswati Ghosh; Mukhopadhyay, Suman; Guedes da Silva, M. Fátima C.; Charmier, M. Adília Januário; Pombeiro, Armando J. L.","Synthesis of mono- and bis-tetrazolato complexes of Ni(II), Pt(II) and Cu(II) via 1,3-dipolar cycloadditions of 2-cyanopyridines with metal ligated azides in N,N,O-aminoiminophenolato complexes","Dalton Transactions","2009","","24","4778","4785","10.1039/b902007a","","","0.71069","MoKα","","0.0343","0.0227","","","0.0522","0.0579","","","","","","1.015","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001483","17.678","0.001","11.2151","0.0007","36.896","0.002","90","","90","","90","","7315","0.7","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H49 Cl N3 Nb O4 -","- C38 H49 Cl N3 Nb O4 -","- C304 H392 Cl8 N24 Nb8 O32 -","8","1","","Neshat, Abdollah; Seambos, Cheryl L.; Beck, John F.; Schmidt, Joseph A. R.","Mono-anionic acetophenone imine ligands: synthesis, ortho-lithiation and first examples of group (v) metal complexes","Dalton Transactions","2009","","25","4987","5000","10.1039/b903836a","","","0.71073","MoKα","","0.0863","0.0389","","","0.0865","0.105","","","","","","0.936","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001548","13.354","0.0008","14.4253","0.0004","19.6452","0.001","90","","90","","90","","3784.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N4 P -","- C23 H17 N4 P -","- C184 H136 N32 P8 -","8","1","","Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Leroux, Frédéric R.; Abarca, Belén; Colobert, Françoise","The [1,2,3]Triazolo[1,5-a]pyridine ring: A sensitive sensor for the electronic profile of phosphorus substituents","Dalton Transactions","2009","","26","5068","5070","10.1039/b906034k","","","0.71073","MoKα","","0.1176","0.056","","","0.1334","0.1781","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7001667","16.954","0.001","16.68","0.001","17.748","0.001","90","","90","","90","","5019","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dichloro(mu-(1,3-di-tert-butyl-N,N,N',N-tetraethyl- (1,3,2,4)diazadiphosphetidine-2,4-diamine)digold(i)","Dichloro(μ-(1,3-di-tert-butyl-N,N,N',N-tetraethyl- [1,3,2,4]diazadiphosphetidine-2,4-diamine)digold(I)","","- C16 H38 Au2 Cl2 N4 P2 -","- C16 H38 Au2 Cl2 N4 P2 -","- C128 H304 Au16 Cl16 N32 P16 -","8","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","Gold(i) complexes of cyclodiphosphazanes cis-{RP(μ-NtBu)}2: structure of a novel tetranuclear gold(i) macrocycle, [{Au{(o-MeOC6H4O)P(μ-NtBu)}2}4](ClO4)4","Dalton Transactions","2009","","28","5478","5486","10.1039/b903075a","","","0.71073","MoKα","","0.0217","0.0187","","","0.0418","0.0427","","","","","","1.061","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001736","16.5177","0.0019","7.1669","0.0008","18.958","0.002","90","","90","","90","","2244.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Co N O5 -","- C12 H9 Co N O5 -","- C96 H72 Co8 N8 O40 -","8","1","","Cheng, Xiao-Ning; Xue, Wei; Huang, Jun-Hou; Chen, Xiao-Ming","Spin canting and/or metamagnetic behaviours of four isostructural grid-type coordination networks","Dalton Transactions","2009","","29","5701","","10.1039/b901524h","","","0.71073","MoKα","","0.0403","0.0352","","","0.0915","0.0946","","","","","","1.04","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001926","20.978","0.002","15.6254","0.0015","24.649","0.003","90","","90","","90","","8079.7","1.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 4","","","- C46 H40 Cu2 N6 O4 -","- C46 H40 Cu2 N6 O4 -","- C368 H320 Cu16 N48 O32 -","8","1","","Banerjee, Sambuddha; Mondal, Susmita; Sen, Soma; Das, Saurabh; Hughes, David L.; Rizzoli, Corrado; Desplanches, Cédric; Mandal, Chitra; Mitra, Samiran","Four new dinuclear Cu(ii) hydrazone complexes using various organic spacers: syntheses, crystal structures, DNA binding and cleavage studies and selective cell inhibitory effect towards leukemic and normal lymphocytes","Dalton Transactions","2009","","34","6849","6860","10.1039/b903072g","","","0.71073","MoKα","","0.2212","0.0539","","","0.044","0.056","","","","","","1.014","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001934","11.4931","0.0006","15.0005","0.0008","19.9805","0.0011","90","","90","","90","","3444.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H8 Cl8 Nb2 O4 -","- C4 H8 Cl8 Nb2 O4 -","- C32 H64 Cl64 Nb16 O32 -","8","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Fragmentation of oxygen-containing molecules via C‒O bond cleavage promoted by coordination to niobium and tantalum pentahalides","Dalton Transactions","2009","","34","6759","6772","10.1039/b905023j","","","0.71073","MoKα","","0.0184","0.0164","","","0.0369","0.0376","","","","","","1.135","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001944","13.2301","0.0012","13.2393","0.0011","42.922","0.003","90","","90","","90","","7518.1","1.1","180","","180","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C38.5 H52 Cl2 N4 V -","- C38.5 H48 Cl2 N4 V -","- C308 H384 Cl16 N32 V8 -","8","1","","Lorber, Christian; Vendier, Laure","Synthesis and structure of early transition metal NHC complexes","Dalton Transactions","2009","","35","6972","","10.1039/b905056f","","","0.71073","MoKα","","0.1665","0.0534","","","0.075","0.1008","","","","","","0.917","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7001945","13.4366","0.0008","13.3487","0.0013","43.139","0.002","90","","90","","90","","7737.5","1","180","2","180","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C35 H48 Cl2 N4 Zr -","- C35 H48 Cl2 N4 Zr -","- C280 H384 Cl16 N32 Zr8 -","8","1","","Lorber, Christian; Vendier, Laure","Synthesis and structure of early transition metal NHC complexes","Dalton Transactions","2009","","35","6972","","10.1039/b905056f","","","0.71073","MoKα","","0.0681","0.0486","","","0.1385","0.1465","","","","","","1.062","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001966","12.2235","0.0004","19.7035","0.0008","37.4328","0.0013","90","","90","","90","","9015.5","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H61 Fe N5 Si2 -","- C49 H61 Fe N5 Si2 -","- C392 H488 Fe8 N40 Si16 -","8","1","","Pugh, David; Wells, Neil J.; Evans, David J.; Danopoulos, Andreas A.","Reactions of ‘pincer’ pyridine dicarbene complexes of Fe(0) with silanes","Dalton Transactions","2009","","35","7189","","10.1039/b907141p","","","0.71073","MoKα","","0.1162","0.0553","","","0.1102","0.1303","","","","","","1.016","","","","has coordinates,has disorder","179717","2020-10-21","18:00:00",""
"7001999","18.657","0.0001","14.544","0.0002","34.202","0.0004","90","","90","","90","","9280.62","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H56 Cl6 N8 Rh2 -","- C45 H56 Cl6 N8 Rh2 -","- C360 H448 Cl48 N64 Rh16 -","8","1","","Binobaid, Abeer; Iglesias, Manuel; Beetstra, Dirk J.; Kariuki, Benson; Dervisi, Athanasia; Fallis, Ian A.; Cavell, Kingsley J.","Expanded ring and functionalised expanded ring N-heterocyclic carbenes as ligands in catalysis","Dalton Transactions","2009","","35","7099","","10.1039/b909834h","","","0.71073","MoKα","","0.1485","0.1158","","","0.2429","0.2564","","","","","","1.161","","","","has coordinates,has disorder","179717","2020-10-21","18:00:00",""
"7002011","15.4844","0.0014","11.9963","0.0011","40.421","0.004","90","","90","","90","","7508.4","1.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H51 I3 N4 P Pd Rh -","- C29 H51 I3 N4 P Pd Rh -","- C232 H408 I24 N32 P8 Pd8 Rh8 -","8","1","","Zamora, Matthew T.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Carbene-anchored/pendent-imidazolium species as precursors to di-N-heterocyclic carbene-bridged mixed-metal complexes","Dalton Transactions","2009","","35","7269","","10.1039/b906884h","","","0.71073","MoKα","","0.0271","0.025","","","0.055","0.056","","","","","","1.208","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002016","6.8318","0.0003","12.6696","0.0006","20.2465","0.0009","90","","90","","90","","1752.46","0.14","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H20 I2 N4 O2 -","- C12 H20 I2 N4 O2 -","- C48 H80 I8 N16 O8 -","4","0.5","","Radloff, Christian; Hahn, F. Ekkehardt; Pape, Tania; Fröhlich, Roland","Supramolecular structures from mono and dimetalated biscarbene ligands","Dalton Transactions","2009","","35","7215","","10.1039/b907896g","","","0.71073","MoKα","","0.0262","0.0194","","","0.0452","0.0489","","","","","","1.033","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002046","11.2461","0.0005","20.3332","0.0009","20.7475","0.0009","90","","90","","90","","4744.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Cl3 N3 Rh -","- C25 H25 Cl3 N3 Rh -","- C200 H200 Cl24 N24 Rh8 -","8","1","","Iglesias-Sigüenza, Javier; Ros, Abel; Díez, Elena; Alcarazo, Manuel; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Synthesis, structure and properties of [1,2,4]triazolo[4,3-a]pyridin-3-ylidene rhodium and palladium complexes","Dalton Transactions","2009","","35","7113","","10.1039/b907043e","","","0.71073","MoKα","","0.0608","0.0494","","","0.1317","0.1397","","","","","","1.061","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002075","25.2736","0.0004","12.7805","0.0002","31.9609","0.0006","90","","90","","90","","10323.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H72 B N8 Rh -","- C58 H72 B N8 Rh -","- C464 H576 B8 N64 Rh8 -","8","1","","Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Pyrazolyl-N-heterocyclic carbene complexes of rhodium as hydrogenation catalysts: The influence of ligand steric bulk on catalyst activity","Dalton Transactions","2009","","35","7029","","10.1039/b906724h","","","0.71073","MoKα","","0.07","0.0388","","","0.0807","0.0892","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002180","17.0131","0.0006","13.5953","0.0005","51.887","0.002","90","","90","","90","","12001.4","0.8","186","2","186","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C480 H400 Cd24 N80 O160 -","- C480 H400 Cd24 N80 O160 -","- C480 H400 Cd24 N80 O160 -","1","0.125","","Wang, Xiuli; Liu, Guocheng; Zhang, Jinxia; Chen, Yongqiang; Lin, Hongyan; Zheng, Wenyan","A novel 3D Cd(ii) metal‒organic framework with an unprecedented (5,6)-connected topology based on isophthalate and 2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline","Dalton Transactions","2009","","36","7347","7349","10.1039/b907839h","","","0.71073","MoKα","","0.0544","0.0389","","","0.0928","0.1065","","","","","","1.172","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002267","17.473","0.003","17.499","0.004","23.282","0.004","90","","90","","90","","7119","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H45 Cr N2 Ni O10 -","- C31 H45 Cr N2 Ni O10 -","- C248 H360 Cr8 N16 Ni8 O80 -","8","1","","Alborés, Pablo; Seeman, Johanna; Rentschler, Eva","Ferromagnetic coupled μ-phenoxo-μ-carboxylato heterodinuclear complexes based on the Cr(salen) moiety: structural and magnetic characterization","Dalton Transactions","2009","","37","7660","7668","10.1039/b907328k","","","0.71069","MoKα","","0.1907","0.05","","","0.1041","0.1356","","","","","","0.799","","","","has coordinates","179720","2020-10-21","18:00:00",""
"7002268","17.4198","0.0004","17.622","0.0004","23.3583","0.0006","90","","90","","90","","7170.3","0.3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H45 Co Cr N2 O10 -","- C31 H45 Co Cr N2 O10 -","- C248 H360 Co8 Cr8 N16 O80 -","8","1","","Alborés, Pablo; Seeman, Johanna; Rentschler, Eva","Ferromagnetic coupled μ-phenoxo-μ-carboxylato heterodinuclear complexes based on the Cr(salen) moiety: structural and magnetic characterization","Dalton Transactions","2009","","37","7660","7668","10.1039/b907328k","","","0.71069","MoKα","","0.114","0.0579","","","0.1579","0.1818","","","","","","0.952","","","","has coordinates,has disorder","179720","2020-10-21","18:00:00",""
"7002304","20.789","0.002","17.829","0.002","22.813","0.003","90","","90","","90","","8455.6","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H90 N6 O P4 Pb2 Si4 -","- C76 H90 N6 O P4 Pb2 Si4 -","- C304 H360 N24 O4 P16 Pb8 Si16 -","4","0.5","","Chai, Zuo-Yun; Wang, Zhong-Xia","Synthesis and characterization of Sn(II), Pb(II) and Yb(II) complexes supported by [C(Ph2PNSiMe3){6-(2-RC5H3N)}]2− or [CH(Ph2PNSiMe3){6-(2-RC5H3N)}]− (R = 3,5-dimethyl-1-pyrazolyl or iminophosphoranyl) ligands","Dalton Transactions","2009","","38","8005","8012","10.1039/b906266a","","","0.71073","MoKα","","0.1473","0.0496","","","0.1214","0.1536","","","","","","0.999","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002308","11.717","0.003","14.333","0.005","17.265","0.004","90","","90","","90","","2899.5","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Ag N3 O3 S -","- C13 H16 Ag N3 O3 S -","- C104 H128 Ag8 N24 O24 S8 -","8","1","","Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of a series of silver(I) sulfonates with pyrazine derivatives","Dalton Transactions","2009","","38","7957","7968","10.1039/b905483a","","","0.71069","MoKα","","0.034","0.0282","","","0.0693","0.0717","","","","","","1.063","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002323","11.516","0.004","14.503","0.004","16.634","0.005","90","","90","","90","","2778.2","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H50 Cl2 P2 Rh2 -","- C22 H50 Cl2 P2 Rh2 -","- C88 H200 Cl8 P8 Rh8 -","4","0.5","","Angelini, Antonella; Aresta, Michele; Dibenedetto, Angela; Pastore, Carlo; Quaranta, Eugenio; Chierotti, Michele R.; Gobetto, Roberto; Pápai, Imre; Graiff, Claudia; Tiripicchio, Antonio","Synthesis and X-ray characterization of [RhCl(C2H4)(PiPr3)]2. Multinuclear NMR and DFT investigation of its solid-state and solution reaction with dihydrogen. Ethene and propene hydrogenation by the solid Rh-hydrides","Dalton Transactions","2009","","38","7924","7933","10.1039/b903354h","","","0.71073","MoKα","","0.0616","0.0384","","","0.09","0.1175","","","","","","1.208","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002359","13.5511","0.0006","10.4268","0.0004","14.7843","0.0006","90","","90","","90","","2088.94","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cu N3 O5 -","- C9 H11 Cu N3 O5 -","- C72 H88 Cu8 N24 O40 -","8","1","","McGinley, John; McKee, Vickie; Toftlund, Hans; Walsh, John M. D.","Unusual metal coordination chemistry from an amino-amide derivative of 4-nitrophenol, a surprising ligand","Dalton Transactions","2009","","39","8406","8412","10.1039/b905226g","","","0.71073","MoKα","","0.0439","0.0332","","","0.0962","0.1027","","","","","","1.034","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002425","8.8695","0.0004","18.8576","0.0008","34.5533","0.0014","90","","90","","90","","5779.3","0.4","180","2","180","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C31 H26 I2 P2 -","- C31 H26 I2 P2 -","- C248 H208 I16 P16 -","8","1","","Abdalilah, Mohammed; Zurawinski, Remigiuz; Canac, Yves; Laleu, Benoît; Lacour, Jérôme; Lepetit, Christine; Magro, Germinal; Bernardinelli, Gérald; Donnadieu, Bruno; Duhayon, Carine; Mikolajczyk, Marian; Chauvin, Remi","Vicinal diphosphoniums: electrostatic repulsion under covalent constraint","Dalton Transactions","2009","","40","8493","8508","10.1039/b903933c","","","0.71073","MoKα","","0.0622","0.0347","","","0.0618","0.0699","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7002439","13.399","0.003","11.096","0.002","18.28","0.004","90","","90","","90","","2717.8","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(tert-butyl selenium dimide)dichloridopalladium","","- C8 H18 Cl2 N2 Pd Se -","- C8 H18 Cl2 N2 Pd Se -","- C64 H144 Cl16 N16 Pd8 Se8 -","8","1","","Risto, Maarit; Eironen, Aino; Männistö, Elisa; Oilunkaniemi, Raija; Laitinen, Risto S.; Chivers, Tristram","Palladium complexes containing novel cyclic selenium imides","Dalton Transactions","2009","","40","8473","8475","10.1039/b910049k","","","0.71073","MoKα","","0.0608","0.0403","","","0.0691","0.074","","","","","","1.097","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002445","12.3722","0.0002","15.0811","0.0002","28.6246","0.0004","90","","90","","90","","5340.96","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Cl Ir P2 -","- C24 H49 Cl Ir P2 -","- C192 H392 Cl8 Ir8 P16 -","8","1","","Arunachalampillai, Athimoolam; Olsson, Daniel; Wendt, Ola F.","Synthesis and characterisation of PCsp3P phosphine and phosphinite iridium complexes. Cyclometallation and dehydrogenation of a cyclohexyl ring","Dalton Transactions","2009","","40","8626","8630","10.1039/b910798c","","","0.71073","MoKα","","0.0831","0.0414","","","0.1025","0.1314","","","","","","1.071","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002446","29.3338","0.0007","12.4022","0.0003","15.3075","0.0003","90","","90","","90","","5568.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Ir N2 P2 -","- C24 H49 Ir N2 P2 -","- C192 H392 Ir8 N16 P16 -","8","1","","Arunachalampillai, Athimoolam; Olsson, Daniel; Wendt, Ola F.","Synthesis and characterisation of PCsp3P phosphine and phosphinite iridium complexes. Cyclometallation and dehydrogenation of a cyclohexyl ring","Dalton Transactions","2009","","40","8626","8630","10.1039/b910798c","","","0.71073","MoKα","","0.0775","0.0287","","","0.0405","0.0456","","","","","","0.844","","","","has coordinates","179724","2020-10-21","18:00:00",""
"7002469","19.5593","0.0007","20.5641","0.0008","23.7794","0.0009","90","","90","","90","","9564.5","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H40 Cl2 Mn2 N6 O18 -","- C42 H40 Cl2 Mn2 N6 O18 -","- C336 H320 Cl16 Mn16 N48 O144 -","8","1","","Jiang, Xiaojun; Liu, Hui; Zheng, Bing; Zhang, Jingyan","Coordination modes of bridge carboxylates in dinuclear manganese compounds determine their catalase-like activities","Dalton Transactions","2009","","40","8714","8723","10.1039/b907687e","","","0.71073","MoKα","","0.1687","0.07","","","0.1198","0.1986","","","","","","1.28","","","","has coordinates,has disorder","179724","2020-10-21","18:00:00",""
"7002508","12.548","0.002","13.774","0.002","24.862","0.003","90","","90","","90","","4297.1","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 B N6 Rh S2 -","- C18 H30 B N6 Rh S2 -","- C144 H240 B8 N48 Rh8 S16 -","8","1","","Blagg, Robin J.; Adams, Christopher J.; Charmant, Jonathan P. H.; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Knight, James; Orpen, A. Guy; Ridgway, Benjamin M.","A novel route to rhodaboratranes [Rh(CO)(PR3){B(taz)3}]+via the redox activation of scorpionate complexes [RhLL′Tt]","Dalton Transactions","2009","","40","8724","8736","10.1039/b910108j","","","0.71073","MoKα","","0.0451","0.0346","","","0.0695","0.0729","","","","","","1.126","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002514","24.339","0.005","15.281","0.003","28.84","0.006","90","","90","","90","","10726","4","100","2","100","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C37 H63 B Cl6 F6 N9 O P2 Rh S3 -","- C37 H63 B Cl6 F6 N9 O P2 Rh S3 -","- C296 H504 B8 Cl48 F48 N72 O8 P16 Rh8 S24 -","8","1","","Blagg, Robin J.; Adams, Christopher J.; Charmant, Jonathan P. H.; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Knight, James; Orpen, A. Guy; Ridgway, Benjamin M.","A novel route to rhodaboratranes [Rh(CO)(PR3){B(taz)3}]+via the redox activation of scorpionate complexes [RhLL′Tt]","Dalton Transactions","2009","","40","8724","8736","10.1039/b910108j","","","1.54178","CuKα","","0.0726","0.0523","","","0.1323","0.1432","","","","","","1.061","","","","has coordinates,has disorder","179729","2020-10-21","18:00:00",""
"7002538","11.3568","0.0004","13.8579","0.0004","21.995","0.0007","90","","90","","90","","3461.6","0.19","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H22 B F4 N3 Pd -","- C13 H22 B F4 N3 Pd -","- C104 H176 B8 F32 N24 Pd8 -","8","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Huang, Shou-Ling; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Alternating ethylene-norbornene copolymerization catalyzed by cationic organopalladium complexes bearing hemilabile bidentate ligands of α-amino-pyridines","Dalton Transactions","2009","","41","9058","9067","10.1039/b912068h","","","0.71073","MoKα","","0.0929","0.0514","","","0.1313","0.1631","","","","","","1.06","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002561","11.7203","0.0014","18.159","0.002","25.753","0.003","90","","90","","90","","5481","1.1","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Mg N4 O4 -","- C28 H38 Mg N4 O4 -","- C224 H304 Mg8 N32 O32 -","8","1","","Chen, Ming-Tsz; Chang, Ping-Jung; Huang, Chi-An; Peng, Kuo-Fu; Chen, Chi-Tien","Magnesium complexes containing bis-amido-oxazolinate ligands as efficient catalysts for ring opening polymerisation of l-lactide","Dalton Transactions","2009","","41","9068","9074","10.1039/b907549f","","","0.71073","MoKα","","0.063","0.045","","","0.1532","0.17","","","","","","1.036","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002589","19.206","0.002","19.9382","0.0017","21.798","0.002","90","","90","","90","","8347.2","1.4","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 8","","","- C82 H120 Cl4 N2 O6 V2 -","- C82 H120 Cl4 N2 O6 V2 -","- C328 H480 Cl16 N8 O24 V8 -","4","0.5","","Arbaoui, Abdessamad; Redshaw, Carl; Homden, Damien M.; Wright, Joseph A.; Elsegood, Mark R. J.","Vanadium-based imido-alkoxide pro-catalysts bearing bisphenolate ligands for ethylene and ε-caprolactone polymerisation","Dalton Transactions","2009","","41","8911","8922","10.1039/b902402f","","x-ray","0.71073","MoKα","","0.1863","0.0739","","","0.0912","0.1162","","","","","","0.964","","","","has coordinates,has disorder","179729","2020-10-21","18:00:00",""
"7002595","16.4675","0.0005","15.2783","0.0005","29.5448","0.0009","90","","90","","90","","7433.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 3","","","- C68 H100 N6 O8 S2 V2 -","- C68 H100 N6 O8 S2 V2 -","- C272 H400 N24 O32 S8 V8 -","4","0.5","","Homden, Damien; Redshaw, Carl; Warford, Lee; Hughes, David L.; Wright, Joseph A.; Dale, Sophie H.; Elsegood, Mark R. J.","Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides","Dalton Transactions","2009","","41","8900","8910","10.1039/b901810g","","","0.71073","MoKα","","0.0717","0.0435","","","0.1057","0.1309","","","","","","1.1","","","","has coordinates,has disorder","179729","2020-10-21","18:00:00",""
"7002604","6.8228","0.0002","18.1883","0.0006","27.2193","0.0009","90","","90","","90","","3377.78","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 N4 Pd -","- C16 H16 Cl2 N4 Pd -","- C128 H128 Cl16 N32 Pd8 -","8","1","","Schweinfurth, David; Pattacini, Roberto; Strobel, Sabine; Sarkar, Biprajit","New 1,2,3-triazole ligands through click reactions and their palladium and platinum complexes","Dalton Transactions","2009","","42","9291","","10.1039/b910660j","","x-ray","0.71073","MoKα","","0.0922","0.0428","","","0.0903","0.1266","","","","","","1.068","","","","has coordinates","179730","2020-10-21","18:00:00",""
"7002622","14.902","0.005","13.026","0.005","16.7628","0.0011","90","","90","","90","","3253.9","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cl2 Cu N6 O -","- C11 H12 Cl2 Cu N6 O -","- C88 H96 Cl16 Cu8 N48 O8 -","8","1","","Silva, Telma F. S.; Mishra, Gopal S.; Guedes da Silva, M. Fátima; Wanke, Riccardo; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","CuII complexes bearing the 2,2,2-tris(1-pyrazolyl)ethanol or 2,2,2-tris(1-pyrazolyl)ethyl methanesulfonate scorpionates. X-Ray structural characterization and application in the mild catalytic peroxidative oxidation of cyclohexane","Dalton Transactions","2009","","42","9207","9215","10.1039/b911990f","","","0.71069","MoKα","","0.0627","0.0422","","","0.1135","0.1213","","","","","","1.066","","","","has coordinates","209616","2020-10-21","18:00:00",""
"7002625","14.9642","0.0005","28.4632","0.001","50.1873","0.0018","90","","90","","90","","21376.2","1.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(ROAl(O)DMSO)4 + 3toluene","","","- C101 H164 Al4 O12 S4 -","- C101 H164 Al4 O12 S4 -","- C808 H1312 Al32 O96 S32 -","8","1","","Shekar, Sukesh; Taylor, Mamie M.; Twamley, Brendan; Wehmschulte, Rudolf J.","Synthesis of aryloxyaluminium hydrides and their conversion into aryloxyalumoxanes (ArOAlO)n","Dalton Transactions","2009","","42","9322","","10.1039/b913607j","","","0.71073","MoKα","","0.0728","0.0527","","","0.1242","0.1365","","","","","","1.01","","","","has coordinates,has disorder","179730","2020-10-21","18:00:00",""
"7002629","19.6068","0.0002","17.5173","0.0002","39.3124","0.0005","90","","90","","90","","13502.2","0.3","120","2","120","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C62 H60 B2 Cl6 Cu F8 N2 O4 P4 -","- C62 H60 B2 Cl6 Cu F8 N2 O4 P4 -","- C496 H480 B16 Cl48 Cu8 F64 N16 O32 P32 -","8","1","","Ruiz, Javier; Gonzalo, Marta P.; Vivanco, Marilín; Quesada, Roberto; Mosquera, Marta E. G.","Synthesis and reactivity of diphosphine metal complexes bearing peripheral ketenimine functionalities","Dalton Transactions","2009","","42","9280","","10.1039/b903375k","","","1.54178","CuKα","","0.0692","0.048","","","0.1293","0.1405","","","","","","1.059","","","","has coordinates,has disorder","179730","2020-10-21","18:00:00",""
"7002652","11.3863","0.0002","23.9172","0.0005","28.1252","0.0005","90","","90","","90","","7659.3","0.2","200","2","200","2","","","","","","","cf. Experimental Section of upcoming publication","7","P b c a","-P 2ac 2ab","61","(Ru(NO)(terpy)(glyac))BPh4","","","- C43 H39 B N4 O5 Ru S -","- C43 H39 B N4 O5 Ru S -","- C344 H312 B8 N32 O40 Ru8 S8 -","8","1","","Giglmeier, Helene; Kerscher, Tobias; Klüfers, Peter; Schaniel, Dominik; Woike, Theo","Nitric-oxide photorelease and photoinduced linkage isomerism on solid [Ru(NO)(terpy)(L)]BPh4 (L = glycolate dianion)","Dalton Transactions","2009","","42","9113","9116","10.1039/b912162e","","","0.71073","MoKα","","0.1392","0.0515","","","0.0979","0.1263","","","","","","1.003","","","","has coordinates,has disorder","209618","2020-10-21","18:00:00",""
"7002701","10.014","0.006","9.526","0.006","17.076","0.011","90","","90","","90","","1628.9","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 N2 O12 P2 Zn2 -","- C8 H16 N2 O12 P2 Zn2 -","- C32 H64 N8 O48 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two new zinc phosphonates","Dalton Transactions","2009","","43","9440","9445","10.1039/b909015k","","","0.71073","MoKα","","0.0378","0.0337","","","0.0926","0.0958","","","","","","1.159","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002740","13.225","0.005","13.727","0.003","23.329","0.007","90","","90","","90","","4235","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H29 Cl3 Cr N5 O8 -","- C12 H29 Cl3 Cr N5 O8 -","- C96 H232 Cl24 Cr8 N40 O64 -","8","1","","Basallote, Manuel G.; Bernhardt, Paul V.; Calvet, Teresa; Castillo, Carmen E.; Font-Bardia, Mercè; Martínez, Manuel; Rodríguez, Carlos","Mechanistic aspects of the chemistry of mononuclear CrIII complexes with pendant-arm macrocyclic ligands and formation of discrete CrIII/FeII and CrIII/FeII/CoIII cyano-bridged mixed valence compounds","Dalton Transactions","2009","","43","9567","9577","10.1039/b909151c","","","0.71073","MoKα","","0.0754","0.0589","","","0.2052","0.2138","","","","","","1.187","","","","has coordinates,has disorder","179731","2020-10-21","18:00:00",""
"7002777","9.342","0.002","21.138","0.0019","37.486","0.006","90","","90","","90","","7402","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H37 Cl2 Cu N4 O4.5 -","- C40 H37 Cl2 Cu N4 O4.5 -","- C320 H296 Cl16 Cu8 N32 O36 -","8","1","","Sabiah, Shahulhameed; Varghese, Babu; Murthy, Narasimha N.","Mononuclear [(BP)2MX]n+ (M = Cu2+, Co2+, Zn2+; X = OH2, Cl−) complexes with a new biphenyl appended N-bidentate ligand: structural, spectroscopic, solution equilibrium and ligand dynamic studies","Dalton Transactions","2009","","44","9770","9780","10.1039/b910519k","","","1.5418","CuKα","","0.0763","0.0539","","","0.1449","0.1624","","","","","","1.042","","","","has coordinates,has disorder","209622","2020-10-21","18:00:00",""
"7002814","15.477","0.0009","18.9855","0.001","26.3711","0.0014","90","","90","","90","","7748.8","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H40 Cl N2 O6 P2 Rh -","- C42 H40 Cl N2 O6 P2 Rh -","- C336 H320 Cl8 N16 O48 P16 Rh8 -","8","1","","Garralda, María A.; Hernández, Ricardo; Pinilla, Elena; Torres, M. Rosario; Zarandona, Malkoa","Selective formation of cis-diacyl, cis-PPh2R rhodium(III) complexes by the reaction of rhodium(III) cis-diacyl, trans-PPh2R complexes with aliphatic diamines","Dalton Transactions","2009","","44","9860","9869","10.1039/b913244a","","","0.71073","MoKα","","0.0909","0.0361","","","0.0758","0.0918","","","","","","0.982","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002850","7.623","0.0003","10.0645","0.0005","15.6002","0.0009","90","","90","","90","","1196.87","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H18 N4 O8 -","- C6 H18 N4 O8 -","- C24 H72 N16 O32 -","4","0.5","","de Sousa, Alvaro S.; Reisinger, Sandra A.; Fernandes, Manuel A.; Perry, Christopher B.; Varadwaj, Pradeep R.; Marques, Helder M.","The structure of N,N′-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(ii) and Cd(ii)","Dalton Transactions","2009","","46","10208","10218","10.1039/b909843g","","","0.71073","MoKα","","0.0423","0.0325","","","0.0833","0.0868","","","","","","1.067","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002852","11.0918","0.0003","12.4205","0.0003","15.9911","0.0004","90","","90","","90","","2203.03","0.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cd2 Cl4 N4 O4 -","- C12 H32 Cd2 Cl4 N4 O4 -","- C48 H128 Cd8 Cl16 N16 O16 -","4","0.5","","de Sousa, Alvaro S.; Reisinger, Sandra A.; Fernandes, Manuel A.; Perry, Christopher B.; Varadwaj, Pradeep R.; Marques, Helder M.","The structure of N,N′-bis(2-hydroxyethyl)ethane-1,2-diamine and its complexes with Zn(ii) and Cd(ii)","Dalton Transactions","2009","","46","10208","10218","10.1039/b909843g","","","0.71073","MoKα","","0.0301","0.0222","","","0.0492","0.0515","","","","","","0.954","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002902","17.117","0.003","20.59","0.004","22.583","0.005","90","","90","","90","","7959","3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H42 N4 O10 Yb2 -","- C38 H42 N4 O10 Yb2 -","- C304 H336 N32 O80 Yb16 -","8","1","","Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Wong, Wai-Kwok","Syntheses, structures, and photoluminescence of 1-D lanthanide coordination polymers","Dalton Transactions","2009","","47","10505","10510","10.1039/b910588c","","","0.71073","MoKα","","0.0643","0.0447","","","0.1105","0.1307","","","","","","1.135","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002917","9.654","0.004","16.646","0.007","25.314","0.011","90","","90","","90","","4068","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(DBP)(H-TMG)","","","- C19 H35 N3 O -","- C19 H35 N3 O -","- C152 H280 N24 O8 -","8","1","","Janini, Thomas E.; Rakosi, III, Robert; Durr, Christopher B.; Bertke, Jeffrey A.; Bunge, Scott D.","1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation","Dalton Transactions","2009","","47","10601","10608","10.1039/b917377c","","","0.71073","MoKα","","0.0756","0.0468","","","0.1256","0.1505","","","","","","0.916","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7002929","17.7032","0.0009","26.5462","0.0013","26.6553","0.0014","90","","90","","90","","12526.7","1.1","197","2","197","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1","","","- C90 H130 N4 Nd10 O66 -","- C90 H130 N4 Nd10 O66 -","- C360 H520 N16 Nd40 O264 -","4","0.5","","Ke, Hongshan; Zhao, Lang; Xu, Gong-Feng; Guo, Yun-Nan; Tang, Jinkui; Zhang, Xi-Yan; Zhang, Hong-Jie","Templated assembly of μ5-CO32− decanuclear praseodymium and neodymium clusters through spontaneous fixation of atmospheric carbon dioxide","Dalton Transactions","2009","","47","10609","10613","10.1039/b918772c","","","0.71073","MoKα","","0.0549","0.0388","","","0.1068","0.1228","","","","","","1.083","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002930","17.7601","0.001","26.4882","0.0015","26.809","0.0015","90","","90","","90","","12611.8","1.2","197","2","197","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H126 N4 O66 Pr10 -","- C88 H122 N4 O66 Pr10 -","- C352 H488 N16 O264 Pr40 -","4","0.5","","Ke, Hongshan; Zhao, Lang; Xu, Gong-Feng; Guo, Yun-Nan; Tang, Jinkui; Zhang, Xi-Yan; Zhang, Hong-Jie","Templated assembly of μ5-CO32− decanuclear praseodymium and neodymium clusters through spontaneous fixation of atmospheric carbon dioxide","Dalton Transactions","2009","","47","10609","10613","10.1039/b918772c","","","0.71073","MoKα","","0.0958","0.0626","","","0.1558","0.1807","","","","","","1.221","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002942","15.3524","0.0004","7.7452","0.0002","19.3505","0.0003","90","","90","","90","","2300.92","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Benzothiazolium tetrachloroaurate(iii)","Benzothiazolium tetrachloroaurate(III)","","- C7 H6 Au Cl4 N S -","- C7 H6 Au Cl4 N S -","- C56 H48 Au8 Cl32 N8 S8 -","8","1","","Kouroulis, K. N.; Hadjikakou, S. K.; Kourkoumelis, N.; Kubicki, M.; Male, L.; Hursthouse, M.; Skoulika, S.; Metsios, A. K.; Tyurin, V. Y.; Dolganov, A. V.; Milaeva, E. R.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro cytotoxicity of new Au(III) and Au(I) complexes with thioamides","Dalton Transactions","2009","","47","10446","10456","10.1039/b909587j","","","0.71073","MoKα","","0.0357","0.0268","","","0.0575","0.0604","","","","","","1.062","","","","has coordinates","209624","2020-10-21","18:00:00",""
"7002968","9.0343","0.0002","8.7669","0.0002","28.685","0.0008","90","","90","","90","","2271.93","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 I4 P2 Sn -","- C12 H28 I4 P2 Sn -","- C48 H112 I16 P8 Sn4 -","4","0.5","","Apostolico, Leonardo; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Blackman, Christopher S.; Carmalt, Claire J.; Parkin, Ivan P.","The reaction of tin(iv) iodide with phosphines: formation of new halotin anions","Dalton Transactions","2009","","47","10486","10494","10.1039/b917722a","","","0.71073","MoKα","","0.0498","0.0361","","","0.0858","0.0926","","","","","","1.076","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002978","14.1698","0.0005","7.4365","0.0003","22.5026","0.001","90","","90","","90","","2371.18","0.17","173","1","173","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N3 O2 Pt -","- C12 H8 Cl N3 O2 Pt -","- C96 H64 Cl8 N24 O16 Pt8 -","8","1","","Miguel, Pablo J. Sanz; Roitzsch, Michael; Yin, Lu; Lax, Patrick M.; Holland, Lars; Krizanovic, Olga; Lutterbeck, Matthias; Schürmann, Markus; Fusch, Edda C.; Lippert, Bernhard","On the many roles of NH3 ligands in mono- and multinuclear complexes of platinum","Dalton Transactions","2009","","48","10774","10786","10.1039/b916537a","","","0.71073","MoKα","","0.042","0.0243","","","0.0447","0.046","","","","","","0.894","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002998","15.256","0.003","14.178","0.003","25.483","0.006","90","","90","","90","","5512","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H18 Cl2 Mn N2 O6 -","- C34 H18 Cl2 Mn N2 O6 -","- C272 H144 Cl16 Mn8 N16 O48 -","8","1","","Liu, Yan-Cheng; Chen, Zhen-Feng; Liu, Li-Min; Peng, Yan; Hong, Xue; Yang, Bin; Liu, Hua-Gang; Liang, Hong; Orvig, Chris","Divalent later transition metal complexes of the traditional chinese medicine (TCM) liriodenine: coordination chemistry, cytotoxicity and DNA binding studies","Dalton Transactions","2009","","48","10813","10823","10.1039/b912553a","","","0.71073","MoKα","","0.0978","0.0426","","","0.0901","0.1024","","","","","","0.999","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7002999","15.1902","0.0016","14.1042","0.0016","25.189","0.002","90","","90","","90","","5396.6","0.9","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H18 Cl2 Fe N2 O6 -","- C34 H18 Cl2 Fe N2 O6 -","- C272 H144 Cl16 Fe8 N16 O48 -","8","1","","Liu, Yan-Cheng; Chen, Zhen-Feng; Liu, Li-Min; Peng, Yan; Hong, Xue; Yang, Bin; Liu, Hua-Gang; Liang, Hong; Orvig, Chris","Divalent later transition metal complexes of the traditional chinese medicine (TCM) liriodenine: coordination chemistry, cytotoxicity and DNA binding studies","Dalton Transactions","2009","","48","10813","10823","10.1039/b912553a","","","0.7107","MoKα","","0.0676","0.0608","","","0.1171","0.12","","","","","","1.26","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003013","14.1441","0.0014","13.0349","0.0014","21.666","0.003","90","","90","","90","","3994.5","0.8","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H70 N4 O4 Y2 -","- C36 H70 N4 O4 Y2 -","- C144 H280 N16 O16 Y8 -","4","0.5","","Venugopal, Ajay; Pape, Tania; Willner, Alexander; Mitzel, Norbert W.","Bis(hydroxylaminato)-mono(pentamethylcyclopentadienyl) rare-earth metal complexes","Dalton Transactions","2009","","29","5715","5719","10.1039/B904538D","","","0.71073","MoKα","","0.0723","0.0483","","","0.1037","0.1146","","","","","","1.132","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003014","14.1189","0.0016","13.0204","0.0015","21.678","0.003","90","","90","","90","","3985.1","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H70 Ho2 N4 O4 -","- C36 H70 Ho2 N4 O4 -","- C144 H280 Ho8 N16 O16 -","4","0.5","","Venugopal, Ajay; Pape, Tania; Willner, Alexander; Mitzel, Norbert W.","Bis(hydroxylaminato)-mono(pentamethylcyclopentadienyl) rare-earth metal complexes","Dalton Transactions","2009","","29","5715","5719","10.1039/B904538D","","","0.71073","MoKα","","0.0377","0.0327","","","0.0622","0.0637","","","","","","1.269","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003015","14.1031","0.0016","13.0115","0.0015","21.635","0.003","90","","90","","90","","3970.1","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H70 Er2 N4 O4 -","- C36 H70 Er2 N4 O4 -","- C144 H280 Er8 N16 O16 -","4","0.5","","Venugopal, Ajay; Pape, Tania; Willner, Alexander; Mitzel, Norbert W.","Bis(hydroxylaminato)-mono(pentamethylcyclopentadienyl) rare-earth metal complexes","Dalton Transactions","2009","","29","5715","5719","10.1039/B904538D","","","0.71073","MoKα","","0.0416","0.0289","","","0.0542","0.0572","","","","","","1.098","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003016","14.076","0.0018","13.0027","0.0016","21.513","0.003","90","","90","","90","","3937.4","0.9","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H70 Lu2 N4 O4 -","- C36 H70 Lu2 N4 O4 -","- C144 H280 Lu8 N16 O16 -","4","0.5","","Venugopal, Ajay; Pape, Tania; Willner, Alexander; Mitzel, Norbert W.","Bis(hydroxylaminato)-mono(pentamethylcyclopentadienyl) rare-earth metal complexes","Dalton Transactions","2009","","29","5715","5719","10.1039/B904538D","","","0.71073","MoKα","","0.0387","0.0283","","","0.0583","0.0617","","","","","","1.048","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003019","23.347","0.005","12.992","0.003","26.446","0.005","90","","90","","90","","8022","3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H62 Co P3 -","- C39 H62 Co P3 -","- C312 H496 Co8 P24 -","8","1","","Ni, Chengbao; Ellis, Bobby D.; Stich, Troy A.; Fettinger, James C.; Long, Gary J.; Britt, R. David; Power, Philip P.","Reduction of terphenyl iron(ii) or cobalt(ii) halides in the presence of trimethylphosphine: an unusual triple dehydrogenation of an alkyl group","Dalton Transactions","2009","","27","5401","5405","10.1039/b904647j","","","0.71073","MoKα","","0.0405","0.0293","","","0.0715","0.0774","","","","","","1.052","","","","has coordinates,has disorder","179734","2020-10-21","18:00:00",""
"7003094","12.6437","0.0016","12.9891","0.0018","14.5673","0.0019","90","","90","","90","","2392.4","0.5","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(diiospropylperfluorovinylphospine)platium(II) diioide","","- C16 H28 F6 I2 P2 Pt -","- C16 H28 F6 I2 P2 Pt -","- C64 H112 F24 I8 P8 Pt4 -","4","0.5","","Barnes, Nicholas A.; Brisdon, Alan K.; Brown, F. R. William; Cross, Wendy I.; Herbert, Christopher J.; Pritchard, Robin G.; Sadiq, Ghazala","The coordination chemistry of perfluorovinyl substituted phosphine ligands, a crystallographic and spectroscopic study. Co-crystallisation of both cis- and trans-isomers of [PtCl2{PiPr2(CFCF2)}2] within the same unit cell","Dalton Transactions","2008","","1","101","","10.1039/b711825b","","","0.71073","MoKα","","0.0549","0.0434","","","0.1078","0.1129","","","","","","1.101","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003276","18.642","0.01","15.952","0.009","22.343","0.012","90","","90","","90","","6644","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Cl2 N8 O8 Ru -","- C32 H25 Cl2 N8 O8 Ru -","- C256 H200 Cl16 N64 O64 Ru8 -","8","1","","Rajendiran, Venugopal; Murali, Mariappan; Suresh, Eringathodi; Palaniandavar, Mallayan; Periasamy, Vaiyapuri Subbarayan; Akbarsha, Mohammad Abdulkader","Non-covalent DNA binding and cytotoxicity of certain mixed-ligand ruthenium(ii) complexes of 2,2′-dipyridylamine and diimines","Dalton Transactions","2008","","16","2157","2170","10.1039/b715077f","","","0.71073","MoKα","","0.1639","0.0936","","","0.2158","0.2729","","","","","","1.057","","","","has coordinates","179736","2020-10-21","18:00:00",""
"7003356","19.45","0.002","10.63","0.001","22.218","0.002","90","","90","","90","","4593.6","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-Dicyclohexyl-N-diphenylphosphino-acetamidine","","- C26 H35 N2 P -","- C26 H35 N2 P -","- C208 H280 N16 P8 -","8","1","","Baiget, Lise; Batsanov, Andrei S.; Dyer, Philip W.; Fox, Mark A.; Hanton, Martin J.; Howard, Judith A. K.; Lane, Philip K.; Solomon, Sophia A.","N-Phosphino-amidines and -guanidines: synthesis, structure and P,N-chelate chemistry","Dalton Transactions","2008","","8","1043","1054","10.1039/b715736c","","","0.71073","MoKα","","0.0885","0.0776","","","0.1482","0.1527","","","","","","1.323","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003487","10.232","0.003","10.158","0.003","17.738","0.005","90","","90","","90","","1843.6","0.9","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","0.5","","Clegg, Jack K.; Bray, David J.; Gloe, Kerstin; Gloe, Karsten; Jolliffe, Katrina A.; Lawrance, Geoffrey A.; Lindoy, Leonard F.; Meehan, George V.; Wenzel, Marco","Synthetic, structural, electrochemical and solvent extraction studies of neutral trinuclear Co(ii), Ni(ii), Cu(ii) and Zn(ii) metallocycles and tetrahedral tetranuclear Fe(iii) species incorporating 1,4-aryl-linked bis-β-diketonato ligands","Dalton Transactions","2008","","10","1331","1340","10.1039/b716653b","","","0.71073","MoKα","","0.0969","0.0498","","","0.113","0.1333","","","","","","1.013","","","","has coordinates,has disorder","179738","2020-10-21","18:00:00",""
"7003570","16.7482","0.001","17.8861","0.0011","20.6278","0.0014","90","","90","","90","","6179.3","0.7","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H48 Ca N2 O4 -","- C30 H48 Ca N2 O4 -","- C240 H384 Ca8 N16 O32 -","8","1","","Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias","Synthesis and structural variations of substituted phenylamide complexes of the heavy alkaline earth metals calcium, strontium and barium","Dalton Transactions","2008","","12","1574","1582","10.1039/b717267b","","","0.71073","MoKα","","0.1162","0.06","","","0.119","0.1414","","","","","","1.004","","","","has coordinates","179739","2020-10-21","18:00:00",""
"7003616","19.9693","0.0006","14.206","0.0004","22.7462","0.0007","90","","90","","90","","6452.7","0.3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H80 Fe6 N6 O24 S2 -","- C50 H80 Fe6 N6 O24 S2 -","- C200 H320 Fe24 N24 O96 S8 -","4","0.5","","Gass, Ian A.; Milios, Constantinos J.; Collins, Anna; White, Fraser J.; Budd, Laura; Parsons, Simon; Murrie, Mark; Perlepes, Spyros P.; Brechin, Euan K.","Polymetallic clusters of iron(iii) with derivatised salicylaldoximes","Dalton Transactions","2008","","15","2043","2053","10.1039/b717534e","","","0.71073","MoKα","","0.0485","0.0323","","0.0732","0.0579","0.0732","","","","","","1.0215","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003625","13.2255","0.0006","9.4894","0.0004","30.5577","0.0012","90","","90","","90","","3835.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","L3CrN3","","","- C18 H25 Cr N6 O5 -","- C18 H25 Cr N6 O5 -","- C144 H200 Cr8 N48 O40 -","8","1","","Song, Yu-Fei; Berry, John F.; Weyhermüller, Thomas; Bill, Eckhard","Bond distances are not always what they appear to be: discovery and un-discovery of the longest Cr(v)N triple bond","Dalton Transactions","2008","","14","1864","1871","10.1039/b717618j","","","0.71073","MoKα","","0.0848","0.0577","","","0.0986","0.1071","","","","","","1.108","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003645","11.958","0.002","12.112","0.002","28.019","0.006","90","","90","","90","","4058.1","1.3","163","2","163","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H20 F6 N P Pd S3 -","- C17 H20 F6 N P Pd S3 -","- C136 H160 F48 N8 P8 Pd8 S24 -","8","1","","Janzen, Daron E.; VanDerveer, Donald G.; Mehne, Larry F.; da Silva Filho, Demétrio A.; Brédas, Jean-Luc; Grant, Gregory J.","Cyclometallated Pt(ii) and Pd(ii) complexes with a trithiacrown ligand","Dalton Transactions","2008","","14","1872","1882","10.1039/b717910c","","","0.71069","MoKα","","0.0362","0.0334","","","0.0835","0.0845","","","","","","1.313","","","","has coordinates,has disorder","179740","2020-10-21","18:00:00",""
"7003657","19.072","0.0015","18.0788","0.0015","19.3656","0.0016","90","","90","","90","","6677.2","0.9","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H51 As N4 Si3 Zr -","- C24 H51 As N4 Si3 Zr -","- C192 H408 As8 N32 Si24 Zr8 -","8","1","","Roering, Andrew J.; Davidson, Jillian J.; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","Mechanistic variety in zirconium-catalyzed bond-forming reaction of arsines","Dalton Transactions","2008","","33","4488","4498","10.1039/b718050k","","","0.71073","MoKα","","0.061","0.0314","","","0.0629","0.0736","","","","","","1.002","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003666","9.2068","0.0003","22.3394","0.0007","45.9538","0.0019","90","","90","","90","","9451.5","0.6","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-germanaphthalene","","","- C40 H74 Ge Si6 -","- C40 H74 Ge Si6 -","- C320 H592 Ge8 Si48 -","8","1","","Mizuhata, Yoshiyuki; Sasamori, Takahiro; Nagahora, Noriyoshi; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and properties of stable 2-metallanaphthalenes of heavier group 14 elements","Dalton Transactions","2008","","33","4409","4418","10.1039/b718193k","","","0.71069","MoKα","","0.1384","0.1103","","","0.2453","0.2572","","","","","","1.303","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7003682","25.8233","0.0003","10.4391","0.001","33.9936","0.0016","90","","90","","90","","9163.7","1","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H61 Cl2 N6 O4.5 -","- C48 H60 Cl2 N6 O4.5 -","- C384 H480 Cl16 N48 O36 -","8","1","","Melfi, Patricia J.; Camiolo, Salvatore; Lee, Jeong Tae; Ali, Mehnaaz F.; McDevitt, John T.; Lynch, Vincent M.; Sessler, Jonathan L.","Immobilization of a hexaphyrin(1.0.1.0.0.0) derivative onto a tentagel-amino resin and its use in uranyl cation detection","Dalton Transactions","2008","","12","1538","1540","10.1039/b718627d","","","0.71073","MoKα","","0.2221","0.0779","","","0.1187","0.1512","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003694","11.922","0.0002","19.0977","0.0003","41.4159","0.0007","90","","90","","90","","9429.7","0.3","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Al N3 Si4 -","- C44 H76 Al N3 Si4 -","- C352 H608 Al8 N24 Si32 -","8","1","","Bourget-Merle, Laurence; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis and structures of crystalline Li, Al and Sn(ii) 1-azaallyls and β-diketiminates derived from [Li{μ,η3-N(SiMe3)C(Ad)C(H)SiMe3}]2 (Ad = 1-adamantyl)","Dalton Transactions","2008","","26","3493","3501","10.1039/b718728a","","x-ray","0.71073","MoKα","","0.0925","0.0546","","","0.1257","0.1409","","","","","","1.072","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003695","16.1969","0.0003","23.3707","0.0005","22.0743","0.0003","90","","90","","90","","8355.8","0.3","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H68 N2 Si4 Sn -","- C36 H68 N2 Si4 Sn -","- C288 H544 N16 Si32 Sn8 -","8","1","","Bourget-Merle, Laurence; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis and structures of crystalline Li, Al and Sn(ii) 1-azaallyls and β-diketiminates derived from [Li{μ,η3-N(SiMe3)C(Ad)C(H)SiMe3}]2 (Ad = 1-adamantyl)","Dalton Transactions","2008","","26","3493","3501","10.1039/b718728a","","x-ray","0.71073","MoKα","","0.0486","0.0326","","","0.073","0.0797","","","","","","1.032","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003722","10.8685","0.0002","18.3385","0.0003","26.2108","0.0005","90","","90","","90","","5224.13","0.16","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H31 I N3 O P2 S V -","- C21 H31 I N3 O P2 S V -","- C168 H248 I8 N24 O8 P16 S8 V8 -","8","1","","Banerjee, Sanjukta; Odom, Aaron L.","Vanadium(V) hydrazido(2−) thiolate imine alkoxide complexes","Dalton Transactions","2008","","15","2005","2008","10.1039/B718968K","","","0.71073","MoKα","","0.0566","0.0325","","","0.0627","0.0701","","","","","","1.019","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003735","13.867","0.017","14.526","0.017","28.52","0.03","90","","90","","90","","5745","11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H33 Cl N6 O13 Ru -","- C20 H32 Cl N6 O13 Ru -","- C160 H256 Cl8 N48 O104 Ru8 -","8","1","","Drew, Michael G. B.; Nag, Samik; Datta, Dipankar","Use of HNO3 as the source of NO to prepare a nitric oxide complex of ruthenium","Dalton Transactions","2008","","17","2298","2302","10.1039/b719134k","","","0.71073","MoKα","","0.1488","0.1253","","","0.2667","0.2755","","","","","","1.144","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003776","20.224","0.002","20.1491","0.0019","16.3528","0.0016","90","","90","","90","","6663.7","1.1","180","","180","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cu N6 O12 P4 -","- C72 H60 Cu N6 O12 P4 -","- C288 H240 Cu4 N24 O48 P16 -","4","0.5","","Pradère, Caroline; Suhard, Samuel; Vendier, Laure; Jacob, Guy; Chaudret, Bruno; Sabo-Etienne, Sylviane","Heterometallic Werner complexes as energetic materials","Dalton Transactions","2008","","20","2725","2731","10.1039/b719515j","","","0.71073","MoKα","","0.1089","0.0631","","","0.1751","0.2043","","","","","","1.039","","","","has coordinates,has disorder","179741","2020-10-21","18:00:00",""
"7003793","11.4815","0.0009","18.2528","0.0018","34.814","0.003","90","","90","","90","","7296","1.1","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H67 N8 Nb -","- C30 H67 N8 Nb -","- C240 H536 N64 Nb8 -","8","1","","Baunemann, Arne; Bekermann, Daniela; Thiede, Tobias B.; Parala, Harish; Winter, Manuela; Gemel, Christian; Fischer, Roland A.","Mixed amido/imido/guanidinato complexes of niobium: potential precursors for MOCVD of niobium nitride thin films","Dalton Transactions","2008","","28","3715","3722","10.1039/b719688a","","","0.71073","MoKα","","0.1845","0.0964","","","0.1305","0.1584","","","","","","1.211","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003799","18.021","0.004","19.884","0.004","28.125","0.006","90","","90","","90","","10078","4","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Cl6 Gd2 N6 O23 Pt3 -","- C36 H18 Cl6 Gd2 N6 O23 Pt3 -","- C288 H144 Cl48 Gd16 N48 O184 Pt24 -","8","1","","Szeto, Kai C.; Kongshaug, Kjell Ove; Jakobsen, Søren; Tilset, Mats; Lillerud, Karl Petter","Design, synthesis and characterization of a Pt‒Gd metal‒organic framework containing potentially catalytically active sites","Dalton Transactions","2008","","15","2054","2060","10.1039/b719766g","","","0.71073","MoKα","","0.0933","0.0488","","","0.0941","0.1097","","","","","","1.021","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003926","8.2427","0.0016","9.2387","0.0018","17.919","0.004","90","","90","","90","","1364.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Co0.5 N12 Ni0.5 -","- C10 H6 Co0.5 N12 Ni0.5 -","- C40 H24 Co2 N48 Ni2 -","4","0.5","","Rodríguez-Diéguez, A.; Palacios, M. A.; Sironi, A.; Colacio, E.","A rational design by hydrothermal methods of a tetrazolate-bridged bimetallic spin-canted antiferromagnet. Synthesis, X-ray structure and magnetic properties of [CoNi(pmtz)4] (Hpmtz− = 5-(pyrimidyl)tetrazole)","Dalton Transactions","2008","","21","2887","2893","10.1039/b801306c","","","0.71073","MoKα","","0.0579","0.0453","","","0.1076","0.1134","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003937","26.3531","0.0012","25.065","0.009","27.523","0.012","90","","90","","90","","18180","10","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H144 Nb2 O19 Sr2 -","- C69 H141 Nb2 O19 Sr2 -","- C552 H1128 Nb16 O152 Sr16 -","8","1","","Seisenbaeva, Gulaim A.; Kessler, Vadim G.; Pazik, Robert; Strek, Wieslaw","Heteroleptic metal alkoxide “oxoclusters” as molecular models for the sol‒gel synthesis of perovskite nanoparticles for bio-imaging applications","Dalton Transactions","2008","","26","3412","3421","10.1039/b801351a","","","0.71073","MoKα","","0.2741","0.0828","","","0.1443","0.1711","","","","","","0.938","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7003953","13.448","0.0003","12.7111","0.0004","22.454","0.0005","90","","90","","90","","3838.26","0.17","243.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H30 Al N O -","- C19 H30 Al N O -","- C152 H240 Al8 N8 O8 -","8","1","","Liu, Jingyu; Iwasa, Naruhito; Nomura, Kotohiro","Synthesis of Al complexes containing phenoxy-imine ligands and their use as the catalyst precursors for efficient living ring-opening polymerisation of ε-caprolactone","Dalton Transactions","2008","","30","3978","3988","10.1039/b801561a","","","0.71075","MoKα","","","0.0401","","","","0.1046","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003966","15.422","0.0014","23.773","0.002","27.047","0.002","90","","90","","90","","9916.2","1.4","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(IndMe)(THF)3GdNTMS","","","- C52 H71 B Gd N O3 Si2 -","- C52 H71 B Gd N O3 Si2 -","- C416 H568 B8 Gd8 N8 O24 Si16 -","8","1","","Tardif, Olivier; Kaita, Shojiro","Generation of cationic indenyl silylamide gadolinium and scandium complexes [(Ind)Ln{N(SiMe3)2}]+[B(C6F5)4]− and their reactivity for 1,3-butadiene polymerization","Dalton Transactions","2008","","19","2531","2533","10.1039/b801707g","","","0.71073","MoKα","","0.0484","0.0357","","","0.083","0.0905","","","","","","1.075","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7003975","11.782","0.003","12.569","0.003","23.822","0.006","90","","90","","90","","3527.8","1.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Dureen, Meghan A.; Stephan, Douglas W.","Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?","Dalton Transactions","2008","","35","4723","4731","10.1039/b801772g","","","0.71073","MoKα","","0.0689","0.0405","","","0.087","0.098","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7003997","14.1874","0.0012","15.7976","0.0013","29.091","0.003","90","","90","","90","","6520.1","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(1,8-Bis(2-hydroxy-1-naphthaldiminato)-3,6- diazaoctane)iron(iii) hexafluorophosphate diethylether solvate","[1,8-Bis(2-hydroxy-1-naphthaldiminato)-3,6-diazaoctane]iron(III) hexafluorophosphate diethylether solvate","","- C32 H38 F6 Fe N4 O3 P -","- C32 H38 F6 Fe N4 O3 P -","- C256 H304 F48 Fe8 N32 O24 P8 -","8","1","","Pritchard, Ruth; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.","The influence of ligand conformation on the thermal spin transitions in iron(iii) saltrien complexes","Dalton Transactions","2008","","24","3159","3168","10.1039/b801892h","","","0.71073","MoKα","","0.1076","0.057","","","0.1208","0.1429","","","","","","1.099","","","","has coordinates","179743","2020-10-21","18:00:00",""
"7004099","15.5268","0.0011","19.5571","0.0015","22.6748","0.0017","90","","90","","90","","6885.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Al2 N4 O -","- C36 H40 Al2 N4 O -","- C288 H320 Al16 N32 O8 -","8","1","","Gong, Shaogang; Ma, Haiyan","β-Diketiminate aluminium complexes: synthesis, characterization and ring-opening polymerization of cyclic esters","Dalton Transactions","2008","","25","3345","3357","10.1039/b802638f","","","0.71073","MoKα","","0.1148","0.0516","","","0.1167","0.1333","","","","","","0.848","","","","has coordinates","179744","2020-10-21","18:00:00",""
"7004153","20.303","0.002","15.0642","0.0011","39.978","0.003","90","","90","","90","","12227.2","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Cl Mg2 N7 Si4 -","- C54 H86 Cl Mg2 N7 Si4 -","- C432 H688 Cl8 Mg16 N56 Si32 -","8","1","","Arnold, Polly L.; Edworthy, Ian S.; Carmichael, Christopher D.; Blake, Alexander J.; Wilson, Claire","Magnesium amido N-heterocyclic carbene complexes","Dalton Transactions","2008","","28","3739","3746","10.1039/b803253j","","","0.71073","MoKα","","0.0653","0.0467","","","0.1155","0.1245","","","","","","1.045","","","","has coordinates,has disorder","179745","2020-10-21","18:00:00",""
"7004197","8.021","0.0016","18.44","0.004","23.144","0.005","90","","90","","90","","3423.2","1.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H40 S4 Si4 -","- C28 H40 S4 Si4 -","- C112 H160 S16 Si16 -","4","0.5","","Hameau, Aurélien; Guyon, Fabrice; Knorr, Michael; Däschlein, Christian; Strohmann, Carsten; Avarvari, Narcis","Synthesis and reactivity of silylated tetrathiafulvalenes","Dalton Transactions","2008","","36","4866","4876","10.1039/b803947j","","","0.71073","MoKα","","0.0558","0.0511","","","0.1407","0.1468","","","","","","1.091","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004198","14.09","0.003","25.9449","0.0018","27.452","0.003","90","","90","","90","","10035","3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H41 I N4 P2 -","- C17 H41 I N4 P2 -","- C272 H656 I16 N64 P32 -","16","2","","Suresh, D.; Balakrishna, Maravanji S.; Rathinasamy, Krishnan; Panda, Dulal; Mobin, Shaikh M.","Water-soluble cyclodiphosphazanes: synthesis, gold(i) metal complexes and their in vitro antitumor studies","Dalton Transactions","2008","","21","2812","2814","10.1039/b804026p","","","0.71073","MoKα","","0.0585","0.0296","","","0.0576","0.0606","","","","","","0.831","","","","has coordinates,has disorder","179745","2020-10-21","18:00:00",""
"7004207","13.0038","0.0004","16.9448","0.0006","32.4543","0.0011","90","","90","","90","","7151.2","0.4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H41 N15 Ni2 O4 -","- C34 H41 N15 Ni2 O4 -","- C272 H328 N120 Ni16 O32 -","8","1","","Nie, Feng-Mei; Demeshko, Serhiy; Fuchs, Sebastian; Dechert, Sebastian; Pruschke, Thomas; Meyer, Franc","Targeted self-assembly and quantum Monte Carlo magnetic study of an alternating nickel(ii) 1D coordination polymer composed of highly preorganized binuclear tectons","Dalton Transactions","2008","","30","3971","3977","10.1039/B804292F","","","0.71073","MoKα","","0.0553","0.0392","","","0.1018","0.1074","","","","","","1.032","","","","has coordinates,has disorder","179746","2020-10-21","18:00:00",""
"7004247","11.542","0.001","18.935","0.0015","19.687","0.0017","90","","90","","90","","4302.5","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","JL_15A batch 2","","","- C21 H20 B3 F2 N O3 -","- C21 H20 B3 F2 N O3 -","- C168 H160 B24 F16 N8 O24 -","8","1","","Iovine, Peter M.; Gyselbrecht, Charles R.; Perttu, Emily K.; Klick, Cole; Neuwelt, Alexander; Loera, Jason; DiPasquale, Antonio G.; Rheingold, Arnold L.; Kua, Jeremy","Hetero-arylboroxines: the first rational synthesis, X-ray crystallographic and computational analysis","Dalton Transactions","2008","","29","3791","3794","10.1039/b804705g","","","0.71073","MoKα","","0.0697","0.051","","","0.118","0.1281","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7004330","12.955","0.002","16.097","0.004","18.995","0.004","90","","90","","90","","3961.2","1.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N2 O4 Pd -","- C18 H28 N2 O4 Pd -","- C144 H224 N16 O32 Pd8 -","8","1","","Lee, Jen-Jeh; Yang, Feng-Zhao; Lin, Ya-Fan; Chang, Ya-Chun; Yu, Kuo-Hsuan; Chang, Mu-Chieh; Lee, Gene-Hsiang; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Unsymmetrical bidentate ligands of α-aminoaldimines leading to sterically controlled selectivity of geometrical isomerism in square planar coordination","Dalton Transactions","2008","","43","5945","5956","10.1039/b805674a","","","0.71073","MoKα","","0.1002","0.0348","","","0.0538","0.0631","","","","","","1","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004357","7.1274","0.0006","12.8608","0.001","27.091","0.002","90","","90","","90","","2483.3","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-disila-2,2,3,3-tetramethyl-1,4-benzodioxane","","- C10 H16 O2 Si2 -","- C10 H16 O2 Si2 -","- C80 H128 O16 Si16 -","8","1","","Harrison, Daniel J.; Edwards, David R.; McDonald, Robert; Rosenberg, Lisa","Toward selective functionalisation of oligosilanes: borane-catalysed dehydrogenative coupling of silanes with thiols","Dalton Transactions","2008","","26","3401","3411","10.1039/b806270f","","","0.71073","MoKα","","0.0395","0.0353","","","0.1011","0.1061","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7004363","20.5612","0.0006","14.9833","0.0005","29.1467","0.0007","90","","90","","90","","8979.4","0.5","100","","180","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C31 H34 F12 N5 O3 P3 Ru -","- C31 H34 F12 N5 O3 P3 Ru -","- C248 H272 F96 N40 O24 P24 Ru8 -","8","1","","Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto","Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core","Dalton Transactions","2008","","41","5627","5635","10.1039/b806325g","","","0.71073","MoKα","","0.1388","0.0663","","","0.1727","0.2254","","","","","","0.959","","","","has coordinates,has disorder","179747","2020-10-21","18:00:00",""
"7004365","14.609","0.003","14.272","0.003","39.99","0.008","90","","90","","90","","8338","3","100","","100","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C43 H34 F12 N5 O3 P3 Ru -","- C43 H34 F12 N5 O3 P3 Ru -","- C344 H272 F96 N40 O24 P24 Ru8 -","8","1","","Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto","Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core","Dalton Transactions","2008","","41","5627","5635","10.1039/b806325g","","","0.71073","MoKα","","0.1174","0.0484","","","0.0496","0.0616","","","","","","0.95","","","","has coordinates","179747","2020-10-21","18:00:00",""
"7004369","11.2988","0.0011","10.0381","0.001","21.557","0.002","90","","90","","90","","2445","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ni(EDA-mim)2 dihydrate","Ni(EDA-mim)2 dihydrate","","- C20 H32 N6 Ni O10 -","- C20 H32 N6 Ni O10 -","- C80 H128 N24 Ni4 O40 -","4","0.5","","Harjani, Jitendra R.; Friščić, Tomislav; MacGillivray, Leonard R.; Singer, Robert D.","Removal of metal ions from aqueous solutions using chelating task-specific ionic liquids","Dalton Transactions","2008","","34","4595","","10.1039/b806369a","","","0.71073","MoKα","","0.0506","0.0319","","","0.0885","0.1073","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004370","11.3066","0.0011","10.1637","0.001","21.496","0.002","90","","90","","90","","2470.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Co(EDA-mim)2 dihydrate","Co(EDA-mim)2 dihydrate","","- C20 H32 Co N6 O10 -","- C20 H32 Co N6 O10 -","- C80 H128 Co4 N24 O40 -","4","0.5","","Harjani, Jitendra R.; Friščić, Tomislav; MacGillivray, Leonard R.; Singer, Robert D.","Removal of metal ions from aqueous solutions using chelating task-specific ionic liquids","Dalton Transactions","2008","","34","4595","","10.1039/b806369a","","","0.71073","MoKα","","0.079","0.0375","","","0.0934","0.1253","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004379","15.4162","0.0001","24.0744","0.0003","20.459","0.0002","90","","90","","90","","7593.07","0.13","173","2","173","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C37 H57 Cl2 N2 O2 Y -","- C37 H57 Cl2 N2 O2 Y -","- C296 H456 Cl16 N16 O16 Y8 -","8","1","","Wei, Xuehong; Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.","Syntheses, structures and reactions of a series of β-diketiminatoyttrium compounds","Dalton Transactions","2008","","38","5235","5246","10.1039/b806451b","","x-ray","0.71073","MoKα","","0.0844","0.0607","","","0.1041","0.1127","","","","","","1.106","","","","has coordinates,has disorder","179747","2020-10-21","18:00:00",""
"7004444","18.182","0.007","14.726","0.004","19.634","0.007","90","","90","","90","","5257","3","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl4 Co N7 O3 Zn -","- C16 H22 Cl4 Co N7 O3 Zn -","- C128 H176 Cl32 Co8 N56 O24 Zn8 -","8","1","","McClintock, Lisa F.; Cavigliasso, Germán; Stranger, Robert; Blackman, Allan G.","The donor ability of the chelated carbonate ligand: protonation and metallation of [(L)Co(O2CO)]+ complexes in aqueous solution","Dalton Transactions","2008","","37","4984","4992","10.1039/b806981f","","","0.71073","MoKα","","0.0476","0.0405","","","0.1034","0.1067","","","","","","1.056","","","","has coordinates,has disorder","179748","2020-10-21","18:00:00",""
"7004466","11.06","0.002","14.858","0.003","16.04","0.003","90","","90","","90","","2635.8","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(2-(2-benzooxazolyl)-6-methylpyridine)dichloronickel dimer","[2-(2-benzooxazolyl)-6-methylpyridine]dichloronickel dimer","","- C26 H20 Cl4 N4 Ni2 O2 -","- C26 H20 Cl4 N4 Ni2 O2 -","- C104 H80 Cl16 N16 Ni8 O8 -","4","0.5","","Gao, Rong; Xiao, Liwei; Hao, Xiang; Sun, Wen-Hua; Wang, Fosong","Synthesis of benzoxazolylpyridine nickel complexes and their efficient dimerization of ethylene to α-butene","Dalton Transactions","2008","","41","5645","5651","10.1039/b807604a","","","0.71073","MoKα","","0.0535","0.03","","","0.056","0.0609","","","","","","0.978","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004643","8.191","0.0005","19.325","0.0012","27.885","0.0019","90","","90","","90","","4413.9","0.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 N6 O8 -","- C19 H20 Cl2 N6 O8 -","- C152 H160 Cl16 N48 O64 -","8","1","","Zhang, Hui-Miao; Fu, Wen-Fu; Gan, Xin; Xu, Yan-Qing; Wang, Jun; Xu, Quan-Qing; Chi, Shao-Ming","A flexible 1,8-naphthyridyl derivative and its Zn(II) complexes: synthesis, structures, spectroscopic properties and recognition of Cd(II)","Dalton Transactions","2008","","47","6817","6824","10.1039/b809701a","","","0.7107","MoKα","","0.0651","0.0597","","","0.1306","0.1339","","","","","","1.162","","","","has coordinates,has disorder","179750","2020-10-21","18:00:00",""
"7004727","8.8575","0.0011","15.185","0.003","38.284","0.007","90","","90","","90","","5149.2","1.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Ag B N2 P S4 -","- C24 H25 Ag B N2 P S4 -","- C192 H200 Ag8 B8 N16 P8 S32 -","8","1","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Panahi Mehr, Mohammad; Russo, Luca","Complexes of copper(i) and silver(i) with bis(methimazolyl)borate and dihydrobis(2-mercaptothiazolyl)borate ligands","Dalton Transactions","2008","","46","6641","6646","10.1039/b811369f","","","0.71073","MoKα","","0.0292","0.0237","","","0.0558","0.0588","","","","","","1.107","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004728","8.9121","0.0015","15.3215","0.0009","37.188","0.007","90","","90","","90","","5077.9","1.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 B Cu N2 P S4 -","- C24 H25 B Cu N2 P S4 -","- C192 H200 B8 Cu8 N16 P8 S32 -","8","1","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Panahi Mehr, Mohammad; Russo, Luca","Complexes of copper(i) and silver(i) with bis(methimazolyl)borate and dihydrobis(2-mercaptothiazolyl)borate ligands","Dalton Transactions","2008","","46","6641","6646","10.1039/b811369f","","","0.71073","MoKα","","0.0408","0.0283","","","0.0674","0.0747","","","","","","1.029","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004742","22.6213","0.0004","12.8225","0.0002","24.5904","0.0004","90","","90","","90","","7132.7","0.2","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H40 Cl14 Co5 N28 -","- C56 H40 Cl14 Co5 N28 -","- C224 H160 Cl56 Co20 N112 -","4","0.5","","Wang, Wen-Zhen; Ismayilov, Rayyat Huseyn; Wang, Rui-Ren; Huang, Yi-Lin; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming","First stable reduced form of [Co5]+10: fine tuning of linear pentacobalt(ii) complexes containing delocalized metal‒metal bonds through ligand modification","Dalton Transactions","2008","","47","6808","6816","10.1039/b811520f","","","0.71073","MoKα","","0.104","0.063","","","0.1491","0.166","","","","","","1.001","","","","has coordinates,has disorder","179751","2020-10-21","18:00:00",""
"7004785","18.865","0.007","10.616","0.003","23.67","0.008","90","","90","","90","","4740","3","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 P2 Se3 -","- C22 H22 N2 P2 Se3 -","- C176 H176 N16 P16 Se24 -","8","1","","Hua, Guoxiong; Zhang, Qingzhi; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek","From phenylalkylcyanamides to heterocyclic selenazadiphospholaminediselenides and carbamidoyl(phenyl)phosphinodiselenoic acids","Dalton Transactions","2008","","41","5563","5566","10.1039/b813406p","","","0.71073","MoKα","","0.0935","0.0713","","","0.1792","0.1952","","","","","","1.139","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7004808","5.804","0.0004","9.7496","0.0006","13.9105","0.0008","90","","90","","90","","787.15","0.09","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","silver dinitramide","","","- Ag N3 O4 -","- Ag N3 O4 -","- Ag8 N24 O32 -","8","1","","Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias","First structural characterization of solvate-free silver dinitramide, Ag[N(NO2)2]","Dalton Transactions","2008","","43","5876","5878","10.1039/b814447h","","","0.71073","MoKα","","0.0469","0.0352","","","0.0906","0.0965","","","","","","1.108","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004813","11.5466","0.0011","11.6975","0.0011","20.9936","0.0018","90","","90","","90","","2835.5","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cl6 Cu N2 O4 -","- C26 H22 Cl6 Cu N2 O4 -","- C104 H88 Cl24 Cu4 N8 O16 -","4","0.5","","Scott, Lauren E.; Page, Brent D. G.; Patrick, Brian O.; Orvig, Chris","Altering pyridinone N-substituents to optimise activity as potential prodrugs for Alzheimer's disease","Dalton Transactions","2008","","45","6364","6367","10.1039/b815404j","","","0.71073","MoKα","","0.0484","0.0282","","","0.063","0.0713","","","","","","1.061","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004819","19.2359","0.0008","18.2151","0.0007","26.5497","0.001","90","","90","","90","","9302.6","0.6","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H51 B I O4 P2 Re -","- C49 H43 B I O4 P2 Re -","- C392 H344 B8 I8 O32 P16 Re8 -","8","1","","Fernandes, Ana C.; Fernandes, José A.; Almeida Paz, Filipe A.; Romão, Carlos C.","Activation of B‒H bonds by an oxo-rhenium complex","Dalton Transactions","2008","","47","6686","6688","10.1039/b816802b","","","0.71073","MoKα","","0.072","0.0613","","","0.1347","0.1398","","","","","","1.091","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004820","19.173","0.003","18.349","0.003","27.388","0.004","90","","90","","90","","9635","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52.5 H55 B I O4 P2 Re -","- C49 H51 B I O4 P2 Re -","- C392 H408 B8 I8 O32 P16 Re8 -","8","1","","Fernandes, Ana C.; Fernandes, José A.; Almeida Paz, Filipe A.; Romão, Carlos C.","Activation of B‒H bonds by an oxo-rhenium complex","Dalton Transactions","2008","","47","6686","6688","10.1039/b816802b","","","0.71073","MoKα","","0.102","0.0675","","","0.1401","0.1508","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004831","22.3403","0.0001","14.8704","0.0001","26.4903","0.0004","90","","90","","90","","8800.32","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H36 K Mn4 N7 O20 -","- C30 H27 K Mn4 N7 O20 -","- C240 H216 K8 Mn32 N56 O160 -","8","1","","Huang, Deguang; Zhang, Xiaofeng; Ma, Chengbing; Chen, Hui; Chen, Changneng; Liu, Qiutian; Zhang, Chunxi; Liao, Daizheng; Li, Licun","Aggregation of tetranuclear Mn building blocks with alkali ion. Syntheses, crystal structures and chemical behaviors of monomer, dimer and polymer containing [Mn4(mu3-O)2]8+ units.","Dalton transactions (Cambridge, England : 2003)","2007","","6","680","688","10.1039/b609948c","","","0.71073","MoKα","","0.0709","0.045","","","0.1005","0.121","","","","","","1.217","","","","has coordinates,has disorder","179752","2020-10-21","18:00:00",""
"7004879","15.5531","0.0008","9.8811","0.0004","24.7535","0.0012","90","","90","","90","","3804.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H24 Cl Cu O6 S4 -","- C12 H24 Cl Cu O6 S4 -","- C96 H192 Cl8 Cu8 O48 S32 -","8","1","","Chaka, Gezahegn; Kandegedara, Ashoka; Heeg, Mary Jane; Rorabacher, D. B.","Comparative study of donor atom effects on the thermodynamic and electron-transfer kinetic properties of copper(II/I) complexes with sexadentate macrocyclic ligands. [CuII/I([18]aneS4N2)] and [CuII/I([18]aneS4O2)].","Dalton transactions (Cambridge, England : 2003)","2007","","4","449","458","10.1039/b612252c","","","0.71073","MoKα","","0.0574","0.0356","","","0.0732","0.0809","","","","","","1.044","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004909","12.53","0.0003","16.715","0.0004","29.106","0.0006","90","0.001","90","0.0011","90","0.0011","6095.9","0.2","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C23 H43 B2 F8 N2 O3 P Ru -","- C23 H43 B2 F8 N2 O3 P Ru -","- C184 H344 B16 F64 N16 O24 P8 Ru8 -","8","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Electron-rich, bulky PNN-type ruthenium complexes: synthesis, characterization and catalysis of alcohol dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2007","","1","107","113","10.1039/b613438f","","","0.71073","MoKα","","0.0782","0.0458","","","0.1039","0.1122","","","","","","1.05","","","","has coordinates,has disorder","179753","2020-10-21","18:00:00",""
"7004935","20.414","0.019","22.16","0.02","24.51","0.02","90","","90","","90","","11088","17","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C24 H58 Cl4 N12 O24.5 P Pd S4 W3 -","- C24 H23 Cl4 N12 O24.5 P Pd S4 W3 -","- C192 H184 Cl32 N96 O196 P8 Pd8 S32 W24 -","8","1","","Hernández Molina, Rita; Kalinina, Irina; Sokolov, Maxim; Clausen, Maria; González Platas, Javier; Vicent, Cristian; Llusar, Rosa","Synthesis, structure and reactivity of cuboidal-type cluster aqua complexes with W3PdS4 4+ core.","Dalton transactions (Cambridge, England : 2003)","2007","","5","550","557","10.1039/b613790c","","","0.71073","MoKα","","0.1243","0.0644","","","0.1484","0.1774","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004944","15.5919","0.0008","17.4451","0.0009","19.8805","0.001","90","","90","","90","","5407.5","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 N6 Zn -","- C28 H38 N6 Zn -","- C224 H304 N48 Zn8 -","8","1","","Bröring, Martin; Prikhodovski, Serguei; Brandt, Carsten D.; Tejero, Esther Cónsul; Köhler, Silke","Monomeric and polymeric copper and zinc tripyrrins.","Dalton transactions (Cambridge, England : 2003)","2007","","2","200","208","10.1039/b613800d","","","0.71073","MoKα","","0.0404","0.0381","","","0.0954","0.0972","","","","","","1.109","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7004969","10.123","0.003","15.505","0.004","34.664","0.009","90","","90","","90","","5441","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co3 O5 S2 -","- C17 H25 B10 Co3 O5 S2 -","- C136 H200 B80 Co24 O40 S16 -","8","1","","Chen, Yin-Qiang; Zhang, Jiasheng; Cai, Shuyi; Hou, Xiu-Feng; Schumann, Herbert; Jin, Guo-Xin","Syntheses and structures of heterometallic clusters by the reaction of o-carboranyl cobaltadichalcogenolato complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","7","749","758","10.1039/b614123d","","","0.71073","MoKα","","0.1007","0.038","","","0.0576","0.0674","","","","","","0.773","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005009","16.344","0.0008","14.2436","0.0007","20.7566","0.001","90","","90","","90","","4832.1","0.4","150","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H32 Fe N2 O13 P4 S -","- C14 H32 Fe N2 O13 P4 S -","- C112 H256 Fe8 N16 O104 P32 S8 -","8","1","","Burrows, Andrew D.; Dodds, Deborah; Kirk, Andrew S.; Lowe, John P.; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Substitution and derivatization reactions of a water soluble iron(II) complex containing a self-assembled tetradentate phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","5","570","580","10.1039/b614726g","","","0.71073","MoKα","","0.0566","0.0364","","","0.0787","0.0854","","","","","","0.949","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005012","17.7791","0.0005","20.999","0.0007","21.6489","0.0007","90","","90","","90","","8082.5","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H48 F9 N3 O P Pd -","- C39 H48 F9 N3 O P Pd -","- C312 H384 F72 N24 O8 P8 Pd8 -","8","1","","Kokatam, Swarna-Latha; Chaudhuri, Phalguni; Weyhermüller, Thomas; Wieghardt, Karl","Molecular and electronic structure of square planar complexes [PdII(tbpy)(L N,O IP)]0, [PdII(tbpy)(LN,O ISQ)](PF6), and [PdII(tbpy)(L N,O IBQ)](PF6)(BF4).2CH2Cl2: an o-iminophenolato based ligand centered, three-membered redox series.","Dalton transactions (Cambridge, England : 2003)","2007","","3","373","378","10.1039/b614745c","","","0.71073","MoKα","","0.0746","0.0417","","","0.0803","0.0928","","","","","","1.037","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005015","18.175","0.004","12.672","0.003","20.633","0.004","90","","90","","90","","4752.1","1.8","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H28 N8 O8 Pd -","- C16 H28 N8 O8 Pd -","- C128 H224 N64 O64 Pd8 -","8","1","","Shen, Wei-Zheng; Costisella, Burkhard; Lippert, Bernhard","Pd2Ag triangle supported by two micro3-amidopyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","8","851","858","10.1039/b614751h","","","0.71073","MoKα","","","0.0387","","","","0.0817","","","","","","0.801","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005095","12.445","0.009","14.269","0.01","28.52","0.02","90","","90","","90","","5065","6","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Fe2 N4 O5 S2 -","- C23 H20 Fe2 N4 O5 S2 -","- C184 H160 Fe16 N32 O40 S16 -","8","1","","Duan, Lele; Wang, Mei; Li, Ping; Na, Yong; Wang, Ning; Sun, Licheng","Carbene-pyridine chelating 2Fe2S hydrogenase model complexes as highly active catalysts for the electrochemical reduction of protons from weak acid (HOAc).","Dalton transactions (Cambridge, England : 2003)","2007","","13","1277","1283","10.1039/b616645h","","","0.71073","MoKα","","0.0874","0.0508","","","0.0902","0.1024","","","","","","1.02","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005113","17.2827","0.0007","18.2012","0.0005","25.7071","0.001","90","","90","","90","","8086.6","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H52 N6 S4 Zn -","- C40 H32 N6 S4 Zn -","- C320 H256 N48 S32 Zn8 -","8","1","","Baudron, Stéphane A; Hosseini, Mir Wais; Kyritsakas, Nathalie; Kurmoo, Mohamedally","A stepwise approach to the formation of heterometallic discrete complexes and infinite architectures.","Dalton transactions (Cambridge, England : 2003)","2007","","11","1129","1139","10.1039/b616841h","","","0.71073","MoKα","","0.156","0.0779","","","0.2127","0.2609","","","","","","1.046","","","","has coordinates,has disorder","179755","2020-10-21","18:00:00",""
"7005123","10.8201","0.0018","17.638","0.002","33.626","0.005","90","","90","","90","","6417.4","1.6","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H60 N8 Zr -","- C26 H60 N8 Zr -","- C208 H480 N64 Zr8 -","8","1","","Devi, Anjana; Bhakta, Raghunandan; Milanov, Andrian; Hellwig, Malte; Barreca, Davide; Tondello, Eugene; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Fischer, Roland","Synthesis and characterisation of zirconium-amido guanidinato complex: a potential precursor for ZrO2 thin films.","Dalton transactions (Cambridge, England : 2003)","2007","","17","1671","1676","10.1039/b616861b","","","0.71073","MoKα","","0.1809","0.0634","","","0.0967","0.1353","","","","","","1.02","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005128","10.799","0.0001","16.216","0.0002","21.679","0.0003","90","","90","","90","","3796.35","0.08","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Cl N O3 P Pd -","- C19 H21 Cl N O3 P Pd -","- C152 H168 Cl8 N8 O24 P8 Pd8 -","8","1","","Agostinho, Magno; Braunstein, Pierre; Welter, Richard","Phosphinito- and phosphonito-oxazoline Pd(II) complexes as CO/ethylene insertion intermediates: synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2007","","7","759","770","10.1039/b616962g","","","0.71069","MoKα","","0.0618","0.03","","","0.0903","0.0978","","","","","","0.767","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005267","27.6069","0.0003","17.8695","0.0002","32.0957","0.0004","90","","90","","90","","15833.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tetrakis(3(5)-(pyrid-2-yl)pyrazolido)dicopper(ii) dichloroform hemihydrate solvate","Tetrakis[3{5}-(pyrid-2-yl)pyrazolido]dicopper(II) dichloroform hemihydrate solvate","","- C34 H27 Cl6 Cu2 N12 O0.5 -","- C34 H27 Cl6 Cu2 N12 O0.5 -","- C544 H432 Cl96 Cu32 N192 O8 -","16","2","","Mokuolu, Q. Folshade; Foguet-Albiol, Dolos; Jones, Leigh F.; Wolowska, Joanna; Kowalczyk, Radoslaw M.; Kilner, Colin A.; Christou, George; McGowan, Patrick C.; Halcrow, Malcolm A.","Four copper(II) pyrazolido complexes derived from reactions of 3{5}-substituted pyrazoles with CuF(2) or Cu(OH)(2).","Dalton transactions (Cambridge, England : 2003)","2007","","14","1392","1399","10.1039/b618780c","","","0.71073","MoKα","","0.1032","0.0568","","","0.1399","0.1639","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005309","15.1795","0.0004","10.8102","0.0003","15.3382","0.0004","90","","90","","90","","2516.9","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 Cu N10 O12 -","- C16 H22 Cl2 Cu N10 O12 -","- C64 H88 Cl8 Cu4 N40 O48 -","4","0.5","","Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming","New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2898","2907","10.1039/b700533d","","","0.71073","MoKα","","0.0448","0.0343","","","0.0903","0.0973","","","","","","1.058","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7005313","18.4859","0.0003","16.6988","0.0003","25.1757","0.0004","90","","90","","90","","7771.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 N22 Ni3 O0.5 S2 -","- C34 H25 N22 Ni3 O0.5 S2 -","- C272 H200 N176 Ni24 O4 S16 -","8","1","","Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming","New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2898","2907","10.1039/b700533d","","","0.71073","MoKα","","0.121","0.0586","","","0.147","0.1808","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005400","18.7077","0.0002","13.95732","0.0001","20.6417","0.0003","90","","90","","90","","5389.74","0.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 B F4 N5 Pd -","- C27 H32 B F4 N5 Pd -","- C216 H256 B8 F32 N40 Pd8 -","8","1","","Suijkerbuijk, Bart M. J. M.; Aerts, Bas N. H.; Dijkstra, Harm P.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","""Click"" 1,2,3-triazoles as tunable ligands for late transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","13","1273","1276","10.1039/b701978p","","","0.71073","MoKα","","0.0436","0.0263","","","0.0531","0.0591","","","","","","1.035","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005401","18.6226","0.0004","13.9422","0.0007","20.7557","0.0006","90","","90","","90","","5389","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 B F4 N5 Pt -","- C27 H32 B F4 N5 Pt -","- C216 H256 B8 F32 N40 Pt8 -","8","1","","Suijkerbuijk, Bart M. J. M.; Aerts, Bas N. H.; Dijkstra, Harm P.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","""Click"" 1,2,3-triazoles as tunable ligands for late transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","13","1273","1276","10.1039/b701978p","","","0.71073","MoKα","","0.0244","0.0162","","","0.034","0.0371","","","","","","1.053","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005409","8.8353","0.0008","16.2766","0.0017","26.525","0.003","90","","90","","90","","3814.5","0.7","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 As N6 Se4 Sm -","- C8 H13 As N6 Se4 Sm -","- C64 H104 As8 N48 Se32 Sm8 -","8","1","","Jia, Dingxian; Zhu, Aimei; Deng, Jie; Zhang, Yong; Dai, Jie","Direct solvothermal growth, crystal structures, and optical properties of one-dimensional lanthanide selenidoarsenate(v) polymers [Ln(dien)2(micro3-AsSe4)] (Ln = Nd, Sm): the first example of an AsSe4(3-) anion acting as a ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2007","","20","2083","2086","10.1039/b701995e","","","0.71073","MoKα","","0.0678","0.0589","","","0.102","0.1048","","","","","","1.261","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005431","14.488","0.002","15.586","0.002","16.1046","0.0001","90","","90","","90","","3636.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","040017","","","- C24 H15 N O S -","- C24 H15 N O S -","- C192 H120 N8 O8 S8 -","8","1","","Schmiege, Benjamin M.; Carney, Michael J.; Small, Brooke L.; Gerlach, Deidra L.; Halfen, Jason A.","Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified alpha-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2547","2562","10.1039/b702197f","","","0.71073","MoKα","","0.1001","0.0473","","","0.0863","0.1031","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005488","10.944","0.002","13.516","0.003","23.043","0.005","90","","90","","90","","3408.5","1.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","catena-(bis((mu-cis-bis(3,5-dimethyl-1H- pyrazolyl)selenide))cadmium(ii)) bis(mu-tiocyanate)","catena-{bis([mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide])cadmium(II)} bis(mu-tiocyanate)","","- C12 H14 Cd N6 S2 Se -","- C12 H14 Cd N6 S2 Se -","- C96 H112 Cd8 N48 S16 Se8 -","8","1","","Seredyuk, Maksym; Haukka, Matti; Fritsky, Igor O.; Kozłowski, Henryk; Krämer, Roland; Pavlenko, Vadim A.; Gütlich, Philipp","Bis(3,5-dimethyl-1H-pyrazolyl)selenide‒a new bidentate bent connector for preparation of 1D and 2D co-ordination polymers.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3183","3194","10.1039/b702574b","","","0.71073","MoKα","","0.0477","0.0365","","","0.0716","0.0747","","","","","","1.182","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005499","11.213","0.002","16.453","0.003","34.766","0.007","90","","90","","90","","6414","2","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H34 Cl3 Cr N2 P2 S -","- C31 H34 Cl3 Cr N2 P2 S -","- C248 H272 Cl24 Cr8 N16 P16 S8 -","8","1","","Weng, Zhiqiang; Teo, Shihui; Andy Hor, T. S.","Chromium(III) catalysed ethylene tetramerization promoted by bis(phosphino)amines with an N-functionalized pendant.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3493","3498","10.1039/b702636f","","","0.71073","MoKα","","0.1024","0.0713","","","0.1314","0.1432","","","","","","1.112","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005518","16.461","0.0001","34.3557","0.0002","25.2509","0.0001","90","","90","","90","","14280.1","0.13","200","","200","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C75.92 H69.8 F6 O1.48 P5 Pt2 -","- C75.92 H67.8 F6 O1.48 P5 Pt2 -","- C607.36 H542.4 F48 O11.84 P40 Pt16 -","8","1","","Bennett, Martin A.; Bhargava, Suresh K.; Messelhäuser, Johannes; Privér, Steven H; Welling, Lee L.; Willis, Anthony C.","ortho-Metallated complexes of platinum(II) and diplatinum(I) containing the carbanions (2-diphenylphosphino)phenyl and (2-diphenylphosphino)-n-tolyl (n = 5, 6).","Dalton transactions (Cambridge, England : 2003)","2007","","29","3158","3169","10.1039/b702808c","","","0.71073","MoKα","","","0.0227","","","","0.0235","","","","","","1.0788","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005570","11.1828","0.0002","16.6037","0.0004","31.8082","0.0008","90","","90","","90","","5906","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H25 F6 N5 P Rh -","- C32 H25 F6 N5 P Rh -","- C256 H200 F48 N40 P8 Rh8 -","8","1","","Su, Wei Lin; Yu, Yu Cheng; Tseng, Mei Ching; Wang, Shao Pin; Huang, Wen Liang","Photophysical and electrochemical properties of new ortho-metalated complexes of rhodium(III) containing 2,2'-dipyridylketone and 2,2'-dipyridylamine. An experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2007","","31","3440","3449","10.1039/b703216a","","","0.71073","MoKα","","0.0658","0.0389","","","0.0998","0.1281","","","","","","1.105","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005657","13.8787","0.0011","18.264","0.002","31.816","0.0014","90","","90","","90","","8064.7","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Cl2 N4 O8 P2 Pd -","- C42 H34 Cl2 N4 O8 P2 Pd -","- C336 H272 Cl16 N32 O64 P16 Pd8 -","8","1","","Kealey, Steven; Long, Nicholas J.; Miller, Philip W.; White, Andrew J. P.; Hitchcock, Peter B.; Gee, Antony","Variable coordination behaviour of pyrazole-containing N,P and N,P(O) ligands towards palladium(II).","Dalton transactions (Cambridge, England : 2003)","2007","","26","2823","2832","10.1039/b704051b","","","0.71073","MoKα","","0.0613","0.0407","","","0.086","0.0915","","","","","","1.037","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005727","17.1175","0.0004","18.3866","0.0004","24.3578","0.0005","90","","90","","90","","7666.2","0.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","s63","","","- C42 H41 O3 P3 Pt -","- C42 H41 O3 P3 Pt -","- C336 H328 O24 P24 Pt8 -","8","1","","Díez, Alvaro; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Sánchez, Sergio","One-dimensional phosphinite platinum chains based on hydrogen bonding interactions and phosphinite tetranuclear platinum(II)-thallium(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3653","3660","10.1039/b704852a","","","0.71073","MoKα","","0.0992","0.0559","","","0.0707","0.0796","","","","","","1.093","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7005754","16.7287","0.0002","13.7692","0.0002","20.6788","0.0003","90","","90","","90","","4763.17","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C17 H27 N7 O3 S3 Zn -","- C17 H27 N7 O3 S3 Zn -","- C136 H216 N56 O24 S24 Zn8 -","8","1","","Christlieb, Martin; Struthers, Harriet S. R.; Bonnitcha, Paul D.; Cowley, Andrew R.; Dilworth, Jonathan R.","The exocyclic functionalisation of bis(thiosemicarbazonate) complexes of zinc and copper: the synthesis of monomeric and dimeric species.","Dalton transactions (Cambridge, England : 2003)","2007","","43","5043","5054","10.1039/b705087a","","","0.71073","MoKα","","0.0661","0.0406","","0.0713","0.0471","0.0471","","","","","","1.0465","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005785","16.7477","0.0009","16.8248","0.0009","43.026","0.002","90","","90","","90","","12123.7","1.1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H47 N2 P3 -","- C30 H47 N2 P3 -","- C480 H752 N32 P48 -","16","2","","Kilian, Petr; Slawin, Alexandra M. Z.","1,8,9-Substituted anthracenes, intramolecular phosphine donor stabilized metaphosphonate and phosphenium.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3289","3296","10.1039/b705286c","","","0.71073","MoKα","","0.1082","0.0871","","","0.1643","0.1742","","","","","","1.179","","","","has coordinates","179761","2020-10-21","18:00:00",""
"7005804","11.461","0.002","16.298","0.003","18.029","0.004","90","","90","","90","","3367.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","trihapto-allyl-bromide-allyldiphenylphosphine-nickel (ii)","trihapto-allyl-bromide-allyldiphenylphosphine-nickel (II)","","- C18 H20 Br Ni P -","- C18 H20 Br Ni P -","- C144 H160 Br8 Ni8 P8 -","8","1","","Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Oligomerization and regioselective hydrosilylation of styrenes catalyzed by cationic allyl nickel complexes bearing allylphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","28","3000","3009","10.1039/b705579j","","x-ray","0.71073","MoKα","","0.0468","0.0341","","","0.0732","0.0773","","","","","","1.04","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005845","13.383","0.005","14.935","0.006","31.025","0.012","90","","90","","90","","6201","4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21.5 H44 Al2 Cl4 N6 -","- C21.5 H44 Al2 Cl4 N6 -","- C172 H352 Al16 Cl32 N48 -","8","1","","Brazeau, Allison L.; DiLabio, Gino A.; Kreisel, Kevin A.; Monillas, Wesley; Yap, Glenn P. A.; Barry, Seán T","Theoretical and experimental investigations of ligand exchange in guanidinate ligand systems for group 13 metals.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3297","3304","10.1039/b706044k","","","0.71073","MoKα","","0.09","0.0842","","","0.2462","0.2538","","","","","","1.992","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7005855","6.879","0.002","14.067","0.005","33.802","0.011","90","","90","","90","","3270.9","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 La2 N4 O14 S -","- C10 H8 La2 N4 O14 S -","- C80 H64 La16 N32 O112 S8 -","8","1","","Sun, Yan-Qiong; Yang, Guo-Yu","Organic-inorganic hybrid materials constructed from inorganic lanthanide sulfate skeletons and organic 4,5-imidazoledicarboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2007","","34","3771","3781","10.1039/b706072f","","","0.71073","MoKα","","0.0289","0.0263","","","0.0472","0.048","","","","","","1.197","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005869","13.3549","0.0009","14.8313","0.001","19.7845","0.0011","90","","90","","90","","3918.7","0.4","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br Fe2 N O6 S2 -","- C15 H10 Br Fe2 N O6 S2 -","- C120 H80 Br8 Fe16 N8 O48 S16 -","8","1","","Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Sun, Licheng","Protonation, electrochemical properties and molecular structures of halogen-functionalized diiron azadithiolate complexes related to the active site of iron-only hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2007","","34","3812","3819","10.1039/b706178a","","","0.71073","MoKα","","0.1522","0.0403","","","0.0607","0.0793","","","","","","0.786","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005883","13.953","0.003","21.07","0.004","46.243","0.009","90","","90","","90","","13595","5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Ga2 N6 O0.5 Zn -","- C60 H93 Ga2 N6 O0.5 Zn -","- C480 H744 Ga16 N48 O4 Zn8 -","8","1","","Jones, Cameron; Rose, Richard P.; Stasch, Andreas","Synthesis and characterisation of zinc gallyl complexes: first structural elucidations of Zn-Ga bonds.","Dalton transactions (Cambridge, England : 2003)","2007","","28","2997","2999","10.1039/b706402k","","","0.71073","MoKα","","0.1774","0.1271","","","0.3003","0.3198","","","","","","1.18","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7005893","18.3898","0.0005","17.9716","0.0004","19.1257","0.0005","90","","90","","90","","6320.9","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H50 N2 O Sn -","- C32 H50 N2 O Sn -","- C256 H400 N16 O8 Sn8 -","8","1","","Nimitsiriwat, Nonsee; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Dale, Sophie H.; Elsegood, Mark R. J.","Tert-butylamidinate tin(ii) complexes: high activity, single-site initiators for the controlled production of polylactide.","Dalton transactions (Cambridge, England : 2003)","2007","","39","4464","4471","10.1039/b706663e","","","0.71073","MoKα","","0.038","0.0249","","","0.0562","0.0656","","","","","","1.092","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7005933","8.5895","0.0005","16.0336","0.0009","17.2939","0.0009","90","","90","","90","","2381.7","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br2 N Pd S -","- C10 H9 Br2 N Pd S -","- C80 H72 Br16 N8 Pd8 S8 -","8","1","","Yen, Swee Kuan; Koh, Lip Lin; Huynh, Han Vinh; Hor, T. S. Andy","Pd(II) complexes of N,S-heterocyclic carbenes with pendant and coordinated allyl function and their Suzuki coupling activities.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3952","3958","10.1039/b706968e","","","0.71073","MoKα","","0.0324","0.0253","","","0.0595","0.0616","","","","","","1.028","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006027","7.688","0.005","11.928","0.007","25.54","0.008","90","","90","","90","","2342","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N4 O2 Pd2 -","- C24 H32 N4 O2 Pd2 -","- C96 H128 N16 O8 Pd8 -","4","0.5","","Solé, Daniel; Solans, Xavier; Font-Bardia, Mercé","N,N-Dialkyl-2-iodoanilines: a versatile source for the synthesis of Pd(ii) complexes. Synthesis of novel OCP- and CCN-pincer palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","38","4286","4292","10.1039/b708306h","","","0.71073","MoKα","","0.056","0.0539","","","0.1261","0.1407","","","","","","1.219","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006120","15.2297","0.0011","11.7129","0.0008","22.5154","0.0018","90","","90","","90","","4016.4","0.5","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H25 B N2 -","- C25 H25 B N2 -","- C200 H200 B8 N16 -","8","1","","Chisholm, Malcolm H.; Gallucci, Judith C.; Yin, Hongfeng","18-membered cyclic esters derived from glycolide and lactide: preparations, structures and coordination to sodium ions.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4811","4821","10.1039/b709081a","","","0.49594","synchrotron","","0.0533","0.0442","","","0.1085","0.1131","","","","","","1.072","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006170","12.493","0.0002","12.1073","0.0004","16.4857","0.0005","90","","90","","90","","2493.57","0.12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H19 B9 S -","- C5 H19 B9 S -","- C40 H152 B72 S8 -","8","1","","Grüner, Bohumír; Holub, Josef; Plesek, Jaromír; Stíbr, Bohumil; Thornton-Pett, Mark; Kennedy, John D.","Dimethylsulfide-dicarbaborane chemistry. Isolation and characterisation of isomers [9-(SMe2)-nido-7,8-C2B9H10-X-Me] (where X = 1, 2, 3 and 4) and some related compounds. An unusual skeletal rearrangement.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4859","4865","10.1039/b709526k","","","0.71073","MoKα","","0.0312","0.0297","","","0.0815","0.0826","","","","","","1.081","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006204","14.832","0.005","19.13","0.007","30.389","0.011","90","","90","","90","","8622","5","193.1","","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C43 H48 Cl2 Ir N2 O4 P S2 -","- C43 H46 Cl2 Ir N2 O4 P S2 -","- C344 H368 Cl16 Ir8 N16 O32 P8 S16 -","8","1","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Silylenediamido [(CH3)2Si(NTs)2(2-); Ts = p-CH3C6H4SO2] complexes of iridium: synthesis, structures and facile Si-N bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3606","3608","10.1039/b709930b","","","0.7107","MoKα","","","0.0382","","","","0.1386","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006222","17.657","0.003","18.687","0.003","22.178","0.004","90","","90","","90","","7318","2","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(tetrahydrofurane)-thiobis(6-tert-butyl-4-methylphenolato)- trimethylsilylmethyl-lutetium(iii)","Bis(tetrahydrofurane)-thiobis(6-tert-butyl-4-methylphenolato)- trimethylsilylmethyl-lutetium(III)","","- C34 H55 Lu O4 S Si -","- C34 H55 Lu O4 S Si -","- C272 H440 Lu8 O32 S8 Si8 -","8","1","","Konkol, Marcin; Spaniol, Thomas P.; Kondracka, Małgorzata; Okuda, Jun","Lutetium alkyl and hydride complexes in a non-cyclopentadienyl coordination environment.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4095","4102","10.1039/b710228n","","","0.71073","MoKα","","0.1013","0.0848","","","0.1504","0.1552","","","","","","1.57","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006237","21.0633","0.0008","21.651","0.0008","39.0514","0.0015","90","","90","","90","","17809.1","1.2","223","2","223","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C94 H86 F6 Fe O6 P6 Pd2 S2 -","- C94 H86 F6 Fe O6 P6 Pd2 S2 -","- C752 H688 F48 Fe8 O48 P48 Pd16 S16 -","8","1","","Neo, Kian Eang; Huynh, Han Vinh; Koh, Lip Lin; Henderson, William; Hor, T. S. Andy","Dinuclear PCP pincer complexes from Lewis acidic [Pd(OTf)(PCP)] and basic [Pd(4-Spy)(PCP)] (OTf = triflate; 4-Spy = 4-pyridinethiolate; PCP = (-)CH(CH(2)CH(2)PPh(2))(2)).","Dalton transactions (Cambridge, England : 2003)","2007","","48","5701","5709","10.1039/b710752h","","","0.71073","MoKα","","0.1336","0.0675","","","0.1507","0.1768","","","","","","0.993","","","","has coordinates,has disorder","179766","2020-10-21","18:00:00",""
"7006275","18.6263","0.001","15.3768","0.0009","22.9378","0.0013","90","","90","","90","","6569.7","0.6","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H52 Ni P4 -","- C30 H52 Ni P4 -","- C240 H416 Ni8 P32 -","8","1","","Gómez-Ruiz, Santiago; Hey-Hawkins, Evamarie","Oxidative cleavage of tetraaryltetraphosphane-1,4-diides by nickel(II) and palladium(II): formation of unusual Ni(0) and Pd(0) diaryldiphosphene complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","48","5678","5683","10.1039/b711616k","","","0.71073","MoKα","","0.0527","0.0337","","","0.0693","0.074","","","","","","1.017","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006310","12.8734","0.0008","14.8662","0.0009","24.0444","0.0013","90","","90","","90","","4601.6","0.5","150","3","150","3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl2 O2 P2 Pt -","- C18 H38 Cl2 O2 P2 Pt -","- C144 H304 Cl16 O16 P16 Pt8 -","8","1","","Olsson, Daniel; Arunachalampillai, Athimoolam; Wendt, Ola F.","Synthesis and characterisation of PC(sp3)P phosphine and phosphinite platinum(II) complexes. Cyclometallation and simple coordination.","Dalton transactions (Cambridge, England : 2003)","2007","","46","5427","5433","10.1039/b712660c","","","0.71073","MoKα","","0.1444","0.0607","","","0.134","0.1481","","","","","","0.925","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006345","10.6949","0.0004","18.1913","0.0007","21.1585","0.0008","90","","90","","90","","4116.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl2 Cu N6 O10 -","- C14 H16 Cl2 Cu N6 O10 -","- C112 H128 Cl16 Cu8 N48 O80 -","8","1","","Ismayilov, Rayyat H.; Wang, Wen-Zhen; Lee, Gene-Hsiang; Peng, Shie-Ming","One-, two- and three-dimensional Cu(II) complexes built via new oligopyrazinediamine ligands: from antiferromagnetic to ferromagnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2006","","3","478","491","10.1039/b507485a","","","0.71073","MoKα","","0.0459","0.0364","","","0.0851","0.0898","","","","","","1.054","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006353","12.537","0.003","9.7307","0.0019","13.62","0.003","90","","90","","90","","1661.6","0.6","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 Co N4 O2 -","- C16 H16 Cl2 Co N4 O2 -","- C64 H64 Cl8 Co4 N16 O8 -","4","0.5","","Xu, Hong; Song, Yinglin; Mi, Liwei; Hou, Hongwei; Tang, Mingsheng; Sang, Yali; Fan, Yaoting; Pan, Yan","Coordination frameworks constructed from bipyridyl piperazine and MCl2 (M = Co, Ni, Zn): structural characterization and optical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","6","838","845","10.1039/b508177g","","","0.71073","MoKα","","0.0547","0.0371","","","0.0398","0.0408","","","","","","1.66","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006393","15.392","0.0001","13.165","0.0001","27.211","0.003","90","","90","","90","","5513.9","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H48 B F4 Fe P3 -","- C25 H48 B F4 Fe P3 -","- C200 H384 B8 F32 Fe8 P24 -","8","1","","Edwards, Peter G.; Malik, K. M. Abdul; Ooi, Li-ling; Price, Andrew J.","Iron complexes of facially capping triphosphorus macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","3","433","441","10.1039/b509627h","","","0.71069","MoKα","","0.2166","0.0712","","","0.1419","0.1668","","","","","","1.006","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006446","21.873","0.007","22.84","0.004","12.268","0.007","90","","90","","90","","6129","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cl Cu N3 -","- C33 H33 Cl Cu N3 -","- C264 H264 Cl8 Cu8 N24 -","8","1","","Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Boxwell, Clive J.; Whitwood, Adrian C.; Walton, Paul H.","Syntheses of copper(I)cis-1,3,5-tri-iminocyclohexane complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1790","1795","10.1039/b510703b","","","0.71069","MoKα","","0.3245","0.0468","","","0.11","0.1915","","","","","","0.926","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006471","9.384","0.003","11.056","0.004","27.821","0.01","90","","90","","90","","2886.4","1.7","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Fe N4 -","- C18 H14 Fe N4 -","- C144 H112 Fe8 N32 -","8","1","","Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo","Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","693","704","10.1039/b511286a","","","0.7107","MoKα","","","0.039","","","","0.114","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006525","18.0659","0.0002","11.273","0.0001","18.2918","0.0002","90","","90","","90","","3725.25","0.07","123","1","123","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H25 Cl2 N3 Ti -","- C16 H25 Cl2 N3 Ti -","- C128 H200 Cl16 N24 Ti8 -","8","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0412","0.0346","","","0.0811","0.0848","","","","","","1.029","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006528","18.4995","0.0001","16.2737","0.0001","18.6379","0.0001","90","","90","","90","","5611.04","0.05","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H46 N6 Ti -","- C24 H46 N6 Ti -","- C192 H368 N48 Ti8 -","8","1","","Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard","Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2006","","3","459","467","10.1039/b511752f","","","0.71073","MoKα","","0.0432","0.0358","","","0.094","0.0984","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006536","13.4047","0.0009","14.337","0.0013","30.111","0.002","90","","90","","90","","5786.8","0.8","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Nitrosyl-tris(trimethylphosphine)-N-benzylidene-1-naphthylamine- molybdenum","","- C26 H41 Mo N2 O P3 -","- C26 H41 Mo N2 O P3 -","- C208 H328 Mo8 N16 O8 P24 -","8","1","","Zhao, Yin; Schmalle, Helmut W.; Fox, Thomas; Blacque, Olivier; Berke, Heinz","Hydride transfer reactivity of tetrakis(trimethylphosphine)(hydrido)(nitrosyl)molybdenum(0).","Dalton transactions (Cambridge, England : 2003)","2006","","1","73","85","10.1039/b511797f","","","0.71073","MoKα","","0.041","0.03","","","0.0759","0.078","","","","","","0.876","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006611","11.741","0.0004","13.917","0.0004","19.083","0.0007","90","","90","","90","","3118.15","0.18","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","sa0435","","","- C13 H19 B Cl Fe N O2 -","- C13 H19 B Cl Fe N O2 -","- C104 H152 B8 Cl8 Fe8 N8 O16 -","8","1","","Kays Née Coombs, Deborah L; Rossin, Andrea; Day, Joanne K.; Ooi, Li-Ling; Aldridge, Simon","Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","2","399","410","10.1039/b512275a","","","0.71073","MoKα","","0.1048","0.0572","","","0.1157","0.1338","","","","","","1.038","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006777","15.6612","0.0018","16.3201","0.0019","26.832","0.003","90","","90","","90","","6858.1","1.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H48 N2 Ni P -","- C35 H48 N2 Ni P -","- C280 H384 N16 Ni8 P8 -","8","1","","Bai, Guangcai; Wei, Pingrong; Das, Anjan K.; Stephan, Douglas W.","P-H and P-P bond activation by Ni(I) and Fe(I) beta-diketiminato-complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1141","1146","10.1039/b513892b","","","0.71073","MoKα","","0.1385","0.0633","","","0.1411","0.1896","","","","","","1.055","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006835","22.475","0.003","18.271","0.003","24.304","0.003","90","","90","","90","","9980","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58.5 H76 Mg N2 O3 -","- C58.5 H72 Mg N2 O3 -","- C468 H576 Mg8 N16 O24 -","8","1","","Bailey, Philip J.; Dick, Caroline M.; Fabre, Sylvie; Parsons, Simon; Yellowlees, Lesley J.","Complexation of dimethylmagnesium with alpha-diimines; structural and EPR characterisation of single electron and alkyl transfer products.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1602","1610","10.1039/b514591k","","","0.71073","MoKα","","0.1386","0.0639","","","0.1362","0.1615","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006837","8.8159","0.0018","21.777","0.005","22.26","0.005","90","","90","","90","","4273.6","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(3-(pyrid-2-yl)-5-aminopyrazole)bromocopper(ii) bromide methanol solvate","Bis[3-(pyrid-2-yl)-5-aminopyrazole]bromocopper(II) bromide methanol solvate","","- C17 H20 Br2 Cu N8 O -","- C17 H20 Br2 Cu N8 O -","- C136 H160 Br16 Cu8 N64 O8 -","8","1","","Pask, Christopher M.; Camm, Kenneth D.; Bullen, Neil J.; Carr, Michael J.; Clegg, William; Kilner, Colin A.; Halcrow, Malcolm A.","Two complexes of copper(II) salts with 5-amino-3-(pyrid-2-yl)-1H-pyrazole, the prototype for a new class of ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","5","662","664","10.1039/b514634h","","","0.71073","MoKα","","0.0945","0.0566","","","0.1379","0.1696","","","","","","1.042","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006855","20.0857","0.0019","19.929","0.002","19.961","0.0019","90","","90","","90","","7990.1","1.3","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","compound 9b","","","- C40 H31 Co2 N O7 P2 Pt S -","- C40 H31 Co2 N O7 P2 Pt S -","- C320 H248 Co16 N8 O56 P16 Pt8 S8 -","8","1","","Gallo, Vito; Mastrorilli, Piero; Nobile, Cosimo F.; Braunstein, Pierre; Englert, Ulli","Chelating versus bridging bonding modes of N-substituted bis(diphenylphosphanyl)amine ligands in Pt complexes and Co2Pt clusters.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2342","2349","10.1039/b514787e","","","0.71073","MoKα","","0.0525","0.0344","","","0.0723","0.079","","","","","","1.013","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006860","20.852","0.004","16.227","0.003","24.092","0.004","90","","90","","90","","8152","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H29 F18 Ir N2 O2 -","- C39 H29 F18 Ir N2 O2 -","- C312 H232 F144 Ir8 N16 O16 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Roe, D. Christopher; Wang, Ying","Synthesis, structural characterization and the first electroluminescent properties of tris- and bis-cycloiridiated complexes of sterically hindered electron-poor 2-(3,5-bis(trifluoromethyl)phenyl)-4-trifluoromethylpyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2468","2478","10.1039/b514797b","","","0.71069","MoKα","","0.0808","0.0414","","","0.0917","0.1101","","","","","","1.01","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006932","13.63122","0.00039","15.23971","0.00048","6.47958","0.00019","90","","90","","90","","1346.04","0.07","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","catena mu-pyrazolato mu-acetato zinc(ii)","catena mu-pyrazolato mu-acetato zinc(ii)","","- C5 H6 N2 O2 Zn -","- C5 H3 N2 O2 Zn -","- C40 H24 N16 O16 Zn8 -","8","1","","Cingolani, Augusto; Galli, Simona; Masciocchi, Norberto; Pandolfo, Luciano; Pettinari, Claudio; Sironi, Angelo","The competition between acetate and pyrazolate in the formation of polynuclear Zn(II) coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2479","2486","10.1039/b515630k","","","1.5418","CuKα","","","","","","","","","","2.68","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006993","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Ziessel, Raymond; Bonardi, Laure; Ulrich, Gilles","Boron dipyrromethene dyes: a rational avenue for sensing and light emitting devices.","Dalton transactions (Cambridge, England : 2003)","2006","","23","2913","2918","10.1039/b516222j","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7007056","22.0967","0.0002","18.7432","0.0002","29.3512","0.0002","90","","90","","90","","12156.2","0.19","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","(Ni6(bpyany)4(NCS)2)(BPh4)2","","","- C132 H104 B2 Cl4 N30 Ni6 S2 -","- C132 H104 B2 Cl4 N30 Ni6 S2 -","- C528 H416 B8 Cl16 N120 Ni24 S8 -","4","0.5","","Chien, Chih-Hsien; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Fang, Jim-Min; Song, You; Peng, Shie-Ming","Weak antiferromagnetic coupling for novel linear hexanuclear nickel(II) string complexes (Ni6 12+) and partial metal-metal bonds in their one-electron reduction products (Ni6 11+).","Dalton transactions (Cambridge, England : 2003)","2006","","26","3249","3256","10.1039/b516749c","","","0.71073","MoKα","","0.1277","0.0874","","","0.2212","0.2479","","","","","","1.172","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007062","14.0231","0.0007","16.7384","0.0008","18.1228","0.0008","90","","90","","90","","4253.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Br P Se -","- C24 H20 Br P Se -","- C192 H160 Br8 P8 Se8 -","8","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.; Sarwar, Shamsa","Reactions of Ph4Se4Br4 with tertiary phosphines. Structural isomerism within a series of R3PSe(Ph)Br compounds.","Dalton transactions (Cambridge, England : 2003)","2006","","12","1517","1523","10.1039/b516784a","","x-ray","0.71073","MoKα","","0.0805","0.0505","","","0.1034","0.1174","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007073","28.4275","0.0019","20.2935","0.0014","29.446","0.002","90","","90","","90","","16987","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C176 H178 Mn12 N6 O42 -","- C175.332 H174.998 Mn12 N5.666 O42 -","- C701.328 H699.992 Mn48 N22.664 O168 -","4","0.5","","Murugesu, Muralee; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Brechin, Euan K.; Christou, George","New Mn12 single-molecule magnets from edge-sharing bioctahedra.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2285","2287","10.1039/b517108c","","","0.71073","MoKα","","0.1172","0.0762","","","0.1422","0.1599","","","","","","1.192","","","","has coordinates,has disorder","179774","2020-10-21","18:00:00",""
"7007106","6.498","0.0004","11.101","0.001","18.698","0.002","90","","90","","90","","1348.8","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-1,2-dibromo-1,2-bis(trimethylsilyl)-ethene","trans-1,2-dibromo-1,2-bis(trimethylsilyl)-ethene","","- C8 H18 Br2 Si2 -","- C8 H18 Br2 Si2 -","- C32 H72 Br8 Si8 -","4","0.5","","Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.","Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3544","3560","10.1039/b517538k","","","0.71073","MoKα","","0.0255","0.0195","","","0.0476","0.0503","","","","","","1.054","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007165","16.743","0.003","15.594","0.003","19.512","0.003","90","","90","","90","","5094.4","1.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl2 P2 Pd -","- C24 H38 Cl2 P2 Pd -","- C192 H304 Cl16 P16 Pd8 -","8","1","","Bellabarba, Ronan M.; Hammond, Colin; Forman, Grant S.; Tooze, Robert P.; Slawin, Alexandra M. Z.","1,8-Dimethylnaphthalene-bridged diphosphine ligands: synthesis and structural comparison of their palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2444","2449","10.1039/b600837b","","","0.71073","MoKα","","0.0905","0.0751","","","0.144","0.1497","","","","","","1.221","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007330","18.177","0.004","17.826","0.004","48.531","0.01","90","","90","","90","","15725","6","210","2","210","2","","","","","","","Crystals were grown by recrystallization from acetonitrile.","6","P b c a","-P 2ac 2ab","61","","","","- C88 H109 B2 N7 Ni S2 -","- C88 H109 B2 N7 Ni S2 -","- C704 H872 B16 N56 Ni8 S16 -","8","1","","Fritz, Thorsten; Steinfeld, Gunther; Käss, Steffen; Kersting, Berthold","Preparation and characterization of mononuclear Co, Ni, and Zn complexes of dinucleating macrocyclic hexaaza-dithiophenolate ligands and their open-chain derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3812","3821","10.1039/b603740b","","","0.71073","MoKα","","0.2973","0.0566","","","0.1272","0.2099","","","","","","0.741","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007357","11.3252","0.0003","14.045","0.0004","20.8013","0.0007","90","","90","","90","","3308.71","0.17","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","[1,6'-(nido-B10H13)2]","","","- B20 H26 -","- B20 H26 -","- B160 H208 -","8","1","","Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].","Dalton transactions (Cambridge, England : 2003)","2006","","31","3752","3765","10.1039/b604295c","","","0.71073","MoKα","","0.0808","0.0528","","","0.1155","0.1289","","","","","","1.066","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007493","20.515","0.005","14.726","0.005","24.311","0.005","90","","90","","90","","7344","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H38 Br3 N4 Ni2 O7.5 -","- C33 H38 Br3 N4 Ni2 O7.5 -","- C264 H304 Br24 N32 Ni16 O60 -","8","1","","Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L","Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4260","4270","10.1039/b606414k","","","0.71073","MoKα","","0.0809","0.0767","","","0.2122","0.2173","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7007546","17.98","0.005","14","0.004","19.502","0.005","90","","90","","90","","4909","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe O3 Rh S2 -","- C15 H25 B10 Fe O3 Rh S2 -","- C120 H200 B80 Fe8 O24 Rh8 S16 -","8","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.077","0.0309","","","0.0485","0.0566","","","","","","0.805","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007547","18.114","0.005","13.98","0.004","19.704","0.005","90","","90","","90","","4990","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe O3 Rh Se2 -","- C15 H25 B10 Fe O3 Rh Se2 -","- C120 H200 B80 Fe8 O24 Rh8 Se16 -","8","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.1203","0.0354","","","0.0429","0.0518","","","","","","0.588","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007549","17.965","0.007","14.114","0.005","19.098","0.007","90","","90","","90","","4842","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Co Fe O3 S2 -","- C15 H25 B10 Co Fe O3 S2 -","- C120 H200 B80 Co8 Fe8 O24 S16 -","8","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.093","0.0364","","","0.0596","0.0688","","","","","","0.779","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007604","11.6696","0.0003","19.4177","0.0006","25.5282","0.0008","90","","90","","90","","5784.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 N3 O Zn -","- C27 H51 N3 O Zn -","- C216 H408 N24 O8 Zn8 -","8","1","","Cox, Andrew R. F.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Yeldon, David","Coordination complexes bearing potentially tetradentate phenoxyamine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5014","5023","10.1039/b607753f","","","0.71073","MoKα","","0.0686","0.0492","","","0.1256","0.1372","","","","","","1.167","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007611","18.863","0.0002","19.5833","0.0002","20.7986","0.0002","90","","90","","90","","7683","0.14","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","[Li(thf)2{C6H3iPr2NCHCPhCHNC6H3iPr2}]","","","- C41 H57 Li N2 O2 -","- C41 H57 Li N2 O2 -","- C328 H456 Li8 N16 O16 -","8","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.7107","MoKα","","0.0798","0.0627","","","0.1555","0.1687","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007616","12.1201","0.0002","22.6524","0.0003","37.2258","0.0004","90","","90","","90","","10220.3","0.2","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","[In(ArNCHCPhCHNAr)(NHAr)2]","","","- C57 H77 In N4 -","- C57 H77 In N4 -","- C456 H616 In8 N32 -","8","1","","Cheng, Yanxiang; Doyle, David J.; Hitchcock, Peter B.; Lappert, Michael F.","The beta-dialdiminato ligand [{N(C6H3Pri(2)-2,6)C(H)}2CPh]-: the conjugate acid and Li, Al, Ga and In derivatives.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4449","4460","10.1039/b607782j","","x-ray","0.71073","MoKα","","0.0508","0.0332","","","0.0766","0.086","","","","","","1.006","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007673","13.292","0.004","16.145","0.004","17.331","0.003","90","","90","","90","","3719.2","1.6","203","2","203","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I P Se -","- C19 H18 I P Se -","- C152 H144 I8 P8 Se8 -","8","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","The reaction of tertiary phosphines with (Ph2Se2I2)2‒the influence of steric and electronic effects.","Dalton transactions (Cambridge, England : 2003)","2006","","40","4795","4804","10.1039/b608453b","","x-ray","0.71073","MoKα","","0.0973","0.0459","","","0.069","0.0822","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007714","14.5082","0.0001","16.0768","0.0002","29.9895","0.0002","90","","90","","90","","6994.91","0.11","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Pd(1)I)2","","","- C32 H36 I2 P2 Pd2 S2 -","- C31.99 H35.99 I2 P2 Pd2 S2 -","- C255.92 H287.92 I16 P16 Pd16 S16 -","8","1","","Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.","Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5717","5724","10.1039/B609607G","","","0.71073","MoKα","","0.0595","0.0367","","","0.0776","0.086","","","","","","1.032","","","","has coordinates,has disorder","179781","2020-10-21","18:00:00",""
"7007752","12.511","0.003","14.814","0.003","24.505","0.005","90","","90","","90","","4541.7","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","mer-tricarbonyl-(dimethylsulfoxide,O)-bis(pyridine)- rhenium(i) triflate","mer-tricarbonyl-(dimethylsulfoxide,O)-bis(pyridine)-rhenium(I) triflate","","- C16 H16 F3 N2 O7 Re S2 -","- C16 H16 F3 N2 O7 Re S2 -","- C128 H128 F24 N16 O56 Re8 S16 -","8","1","","Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo","fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments.","Dalton transactions (Cambridge, England : 2003)","2006","","42","5033","5045","10.1039/b609853c","","","0.71073","Mokα","","0.0749","0.034","","","0.068","0.076","","","","","","0.826","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007763","14.438","0.003","15.762","0.003","16.877","0.004","90","","90","","90","","3840.7","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[NEt4]+[2-Ph-closo-2-CB6H6]-","","- C15 H31 B6 N -","- C15 H31 B6 N -","- C120 H248 B48 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.6883","Synchrotron","","0.0807","0.0701","","","0.1792","0.1877","","","","","","1.091","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007765","10.2352","0.0002","16.9027","0.0005","25.6191","0.0009","90","","90","","90","","4432.2","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B11 N -","- C15 H36 B11 N -","- C120 H288 B88 N8 -","8","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","x-ray","0.71073","MoKα","","0.1233","0.0615","","","0.1317","0.1646","","","","","","1.044","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007771","16.339","0.002","15.282","0.002","24.409","0.003","90","","90","","90","","6094.7","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(L2)Cu(CO)","","","- C30 H35 Cu F6 N2 O -","- C30 H35 Cu F6 N2 O -","- C240 H280 Cu8 F48 N16 O8 -","8","1","","Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.","Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4944","4953","10.1039/b609939d","","","0.71073","MoKα","","0.0871","0.047","","","0.0988","0.1148","","","","","","1.121","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007794","23.378","0.003","21.533","0.003","20.077","0.003","90","","90","","90","","10107","2","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H47 Cl2 Fe N O10 P2 Pd Si -","- C48 H45 Cl2 Fe N O10 P2 Pd Si -","- C384 H360 Cl16 Fe8 N8 O80 P16 Pd8 Si8 -","8","1","","Knorr, Michael; Jourdain, Isabelle; Braunstein, Pierre; Strohmann, Carsten; Tiripicchio, Antonio; Ugozzoli, Franco","Insertion reactions of alkynes and organic isocyanides into the palladium-carbon bond of dimetallic Fe-Pd alkoxysilyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5248","5258","10.1039/b610324c","","x-ray","0.7107","MoKα","","0.1857","0.0594","","","0.1202","0.1338","","","","","","0.645","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007798","25.981","0.004","13.1764","0.0004","26.4518","0.0014","90","","90","","90","","9055.4","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H57 Cl2 N3 O2 Zr -","- C46 H57 Cl2 N3 O2 Zr -","- C368 H456 Cl16 N24 O16 Zr8 -","8","1","","Clarkson, Guy J.; Gibson, Vernon C.; Goh, Peter K. Y.; Hammond, Max L.; Knight, Paul D.; Scott, Peter; Smit, Theo M.; White, Andrew J. P.; Williams, David J.","Group 4 catalysts for ethene polymerization containing tetradentate salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5484","5491","10.1039/b610555f","","","1.54178","CuKα","","0.0599","0.0414","","0.1056","0.0946","","","","1.032","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007834","13.145","0.004","15.462","0.005","23.036","0.007","90","","90","","90","","4682","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 B10 Co2 O Se2 -","- C16 H26 B10 Co2 O Se2 -","- C128 H208 B80 Co16 O8 Se16 -","8","1","","Hou, Xiu-Feng; Liu, Shu; Wang, Hui; Chen, Yin-Qiang; Jin, Guo-Xin","Binuclear half-sandwich cobalt(III) and rhodium(III) ortho-carboranedichalocogenolato complexes with ether chain-bridged bis(cyclopentadienyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5231","5239","10.1039/b611266h","","","0.71073","MoKα","","0.0606","0.0372","","","0.0827","0.088","","","","","","0.891","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007956","15.2","0.003","16.336","0.003","27.71","0.006","90","","90","","90","","6881","2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 6b","","","- C34 H46 Cl3 N O2 Zr -","- C34 H46 Cl3 N O2 Zr -","- C272 H368 Cl24 N8 O16 Zr8 -","8","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.71073","MoKα","","0.0416","0.0311","","","0.0787","0.082","","","","","","0.994","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7008001","10.4742","0.0003","18.5825","0.0006","6.8165","0.0002","90","","90","","90","","1326.74","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H3 Cl2 O P -","- C4 H3 Cl2 O P -","- C32 H24 Cl16 O8 P8 -","8","1","","Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert","Synthesis and auration of primary and di-primary heteroaryl-phosphines.","Dalton transactions (Cambridge, England : 2003)","2005","","2","247","255","10.1039/b415326j","","","0.71073","MoKα","","0.0371","0.0368","","","0.0973","0.0976","","","","","","1.152","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008029","15.649","0.0001","21.677","0.0002","35.15","0.0004","90","","90","","90","","11923.7","0.19","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H95 Cl4 N5 O2 P4 Ru2 -","- C48 H95 Cl4 N5 O2 P4 Ru2 -","- C384 H760 Cl32 N40 O16 P32 Ru16 -","8","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.1242","0.0481","","","0.081","0.0995","","","","","","0.982","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008105","16.4464","0.0004","8.4807","0.0002","19.3755","0.0004","90","","90","","90","","2702.44","0.11","150","","150","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","1-dimethylphosphino-2,2-dimethylhydrazine","","- C14 H17 N2 P -","- C14 H17 N2 P -","- C112 H136 N16 P8 -","8","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0537","0.0358","","0.0563","0.041","0.041","","","","","","1.0875","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008111","18.707","0.0004","13.7367","0.0003","18.8545","0.0005","90","","90","","90","","4845.1","0.2","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Cl2 N2 P Ru -","- C24 H31 Cl2 N2 P Ru -","- C192 H248 Cl16 N16 P8 Ru8 -","8","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0732","0.0295","","0.0722","0.0306","0.0306","","","","","","1.1166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008132","10.6351","0.0005","10.8432","0.0004","26.8375","0.0013","90","","90","","90","","3094.9","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 N5 O12 Re -","- C6 H12 N5 O12 Re -","- C48 H96 N40 O96 Re8 -","8","1","","Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang","The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2005","","4","804","810","10.1039/b417425a","","","0.71073","MoKα","","0.0666","0.0489","","","0.098","0.1039","","","","","","0.969","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008139","12.303","0.003","7.3293","0.0015","19.242","0.004","90","","90","","90","","1735.1","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Al F N -","- C8 H10 Al F N -","- C64 H80 Al8 F8 N8 -","8","1","","Shukla, Piyush; Cowley, Alan H.; Jones, Jamie N.; Gordon, John C.; Scott, Brian L.","Fluoroaryl-substituted aminoalane dimers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2005","","6","1019","1022","10.1039/b417652a","","","0.71073","MoKα","","0.2723","0.1373","","","0.2669","0.3382","","","","","","1.062","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008199","15.1726","0.0001","14.1221","0.0002","30.9923","0.0001","90","","90","","90","","6640.69","0.11","158","2","158","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl4 Fe2 Mo O7 P2 S2 -","- C22 H30 Cl4 Fe2 Mo O7 P2 S2 -","- C176 H240 Cl32 Fe16 Mo8 O56 P16 S16 -","8","1","","Han, Jaehong; Coucouvanis, Dimitri","Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).","Dalton transactions (Cambridge, England : 2003)","2005","","7","1234","1240","10.1039/b419051c","","","0.71073","MoKα","","0.0384","0.0339","","","0.0754","0.0777","","","","","","1.17","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008284","17.0141","0.0013","15.6029","0.0012","26.372","0.003","90","","90","","90","","7001","1.1","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H26 B10 Ru -","- C12 H26 B10 Ru -","- C192 H416 B160 Ru16 -","16","2","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.04","0.034","","","0.0993","0.1051","","","","","","1.164","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008286","12.1178","0.0014","18.2437","0.0018","23.447","0.003","90","","90","","90","","5183.5","1","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H34 B10 Ru -","- C24 H34 B10 Ru -","- C192 H272 B80 Ru8 -","8","1","","Burke, Anthony; Ellis, David; Ferrer, Daniel; Ormsby, Daniel L.; Rosair, Georgina M.; Welch, Alan J.","Synthetic, spectroscopic, computational and structural studies of some 13-vertex ruthenacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1716","1721","10.1039/b500944h","","","0.71073","MoKα","","0.0422","0.0298","","","0.0701","0.0752","","","","","","1.018","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008312","13.3838","0.0007","21.7325","0.0014","26.2802","0.0017","90","","90","","90","","7643.9","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H72 Ag2 Cl4 P6 S4 -","- C78 H72 Ag2 Cl4 P6 S4 -","- C312 H288 Ag8 Cl16 P24 S16 -","4","0.5","","Shafaei-Fallah, Maryam; Anson, Christopher E.; Fenske, Dieter; Rothenberger, Alexander","Functionalised trimethylsilyl reagents in cluster synthesis: reactions of Ph2P(S)SSiMe3 with group 11 salts.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2300","2304","10.1039/b501360g","","","0.71073","MoKα","","0.1235","0.0656","","","0.1243","0.1438","","","","","","1.006","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008326","17.0678","0.0002","16.6597","0.0002","21.6558","0.0004","90","","90","","90","","6157.71","0.15","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H54 Mg2 N2 Si4 -","- C20 H54 Mg2 N2 Si4 -","- C160 H432 Mg16 N16 Si32 -","8","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.1003","0.0475","","","0.1013","0.1158","","","","","","1.037","","","","has coordinates,has disorder","179787","2020-10-21","18:00:00",""
"7008542","9.5129","0.0011","18.099","0.002","34.801","0.004","90","","90","","90","","5991.8","1.2","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H55 N8 Ta -","- C24 H55 N8 Ta -","- C192 H440 N64 Ta8 -","8","1","","Baunemann, Arne; Rische, Daniel; Milanov, Andrian; Kim, Younsoo; Winter, Manuela; Gemel, Christian; Fischer, Roland A.","Tantalum complexes with all nitrogen coordination sphere: mixed amido-, imido-, guanidinato complexes of tantalum and their thermal behaviour.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3051","3055","10.1039/b503988f","","","0.71073","MoKα","","0.0686","0.0455","","","0.0707","0.0759","","","","","","1.242","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008597","16.201","0.005","24.234","0.012","27.799","0.008","90","","90","","90","","10914","7","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Cu~2~(CN)L^3^](CF~3~O~3~S)~3~.3H~2~O","","","- C34 H54 Cu2 F9 N9 O15 S3 -","- C34 H48 Cu2 F9 N9 O15 S3 -","- C272 H384 Cu16 F72 N72 O120 S24 -","8","1","","Bond, Andrew D.; Derossi, Sofia; Harding, Charles J.; McInnes, Eric J. L.; McKee, Vickie; McKenzie, Christine J.; Nelson, Jane; Wolowska, Joanna","Cascade complexation: a single cyano bridge links a pair of Cu(II) cations.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2403","2409","10.1039/b504916d","","","0.71073","MoKα","","0.2469","0.1103","","","0.2586","0.3337","","","","","","1.017","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008601","4.8648","0.0003","16.7242","0.0012","23.6399","0.0017","90","","90","","90","","1923.3","0.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H26 Ni O14 -","- C12 H26 Ni O14 -","- C48 H104 Ni4 O56 -","4","0.5","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0436","0.0326","","","0.0665","0.0703","","","","","","1.079","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008604","7.4626","0.0007","19.3473","0.0018","22.73","0.002","90","","90","","90","","3281.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 Ni O3 S2 -","- C15 H20 N2 Ni O3 S2 -","- C120 H160 N16 Ni8 O24 S16 -","8","1","","Lewis, Jana A.; Tran, Ba L.; Puerta, David T.; Rumberger, Evan M.; Hendrickson, David N.; Cohen, Seth M.","Synthesis, structure and spectroscopy of new thiopyrone and hydroxypyridinethione transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2588","2596","10.1039/b505034k","","","0.71073","MoKα","","0.0634","0.0462","","","0.0913","0.097","","","","","","1.092","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008619","17.685","0.001","22.314","0.002","24.289","0.002","90","","90","","90","","9585","1.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(triphenylphosphine)(acetonitrile)copper(I) perchlorate","","- C56 H48 Cl Cu N O4 P3 -","- C56 H48 Cl Cu N O4 P3 -","- C448 H384 Cl8 Cu8 N8 O32 P24 -","8","1","","Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.","Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2547","2556","10.1039/b505200a","","","0.71073","MoKα","","0.106","0.051","","0.079","","0.067","","","1.021","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008620","17.73","0.001","22.28","0.001","24.185","0.001","90","","90","","90","","9553.7","0.8","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(triphenylphosphine)(acetonitrile)copper(I) tetrafluoroborate","","- C56 H48 B Cu F4 N P3 -","- C56 H48 B Cu F4 N P3 -","- C448 H384 B8 Cu8 F32 N8 P24 -","8","1","","Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.","Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2547","2556","10.1039/b505200a","","","0.71073","MoKα","","0.079","0.047","","0.074","","0.064","","","1.011","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008710","11.4344","0.0013","20.45","0.005","35.45","0.006","90","","90","","90","","8289","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H64 N2 O Si2 U -","- C36 H64 N2 O Si2 U -","- C288 H512 N16 O8 Si16 U8 -","8","1","","Jantunen, Kimberly C.; Haftbaradaran, Farzad; Katz, Michael J.; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","Synthesis and structure of diamido ether uranium(IV) and thorium(IV) halide ""ate"" complexes and their conversion to salt-free bis(alkyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3083","3091","10.1039/b506180f","","","0.7093","MoKα","","0.22","0.0525","","0.0817","","0.0686","","","","","","1.635","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008713","12.9666","0.001","17.766","0.002","39.401","0.003","90","","90","","90","","9076.6","1.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H62 Cl N2 O4 P Pd -","- C49 H62 Cl N2 O4 P Pd -","- C392 H496 Cl8 N16 O32 P8 Pd8 -","8","1","","Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Frost, Robert M.; Horton, Peter N.; Hursthouse, Michael B.; López-Nicolás, Rosa-María","N-Heterocyclic carbene adducts of orthopalladated triarylphosphite complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2774","2779","10.1039/b506286a","","","0.71073","MoKα","","0.1016","0.0449","","","0.089","0.1131","","","","","","1.044","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008733","18.2629","0.001","19.5814","0.0007","21.4761","0.0011","90","","90","","90","","7680.1","0.6","173","2","173","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","[C6H4(NCH2tBu)2Si(Li(thf)2}{N(SiMe3)(C6H3Me2)}]","","","- C35 H60 Li N3 O2 Si2 -","- C35 H60 Li N3 O2 Si2 -","- C280 H480 Li8 N24 O16 Si16 -","8","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Parruci, Massimo","Reaction of the stable silylene Si[(NCH2But)2C6H4-1,2] with lithium amides","Dalton transactions (Cambridge, England : 2003)","2005","","16","2720","2725","10.1039/b506610g","","x-ray","0.71073","MoKα","","0.0902","0.062","","","0.1607","0.1822","","","","","","1.01","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008740","13.128","0.002","16.559","0.009","16.951","0.002","90","","90","","90","","3685","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Cd N4 O7 S2 -","- C11 H24 Cd N4 O7 S2 -","- C88 H192 Cd8 N32 O56 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0479","0.0258","","","0.0655","0.0713","","","","","","1.1","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008821","12.6264","0.0012","9.3602","0.0009","14.3011","0.0014","90","","90","","90","","1690.2","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cadmium (ii) bis-nitrate-bis-pyrazine","Cadmium (II) bis-nitrate-bis-pyrazine","","- C4 H4 Cd N4 O6 -","- C4 H4 Cd N4 O6 -","- C32 H32 Cd8 N32 O48 -","8","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3852","3861","10.1039/b509294a","","","0.71073","MoKα","","0.0623","0.0392","","","0.0915","0.1082","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7008824","11.429","0.011","8.715","0.007","55.97","0.05","90","","90","","90","","5575","9","191","2","191","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H27 N9 O -","- C33 H27 N9 O -","- C264 H216 N72 O8 -","8","1","","Zibaseresht, Ramin; Hartshorn, Richard M.","Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3898","3908","10.1039/b509324d","","","0.71073","MoKα","","0.0994","0.0643","","","0.1336","0.1463","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008836","17.9789","0.0008","13.8833","0.0006","19.6293","0.0009","90","","90","","90","","4899.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H68 B2 Li4 N4 O6 -","- C48 H68 B2 Li4 N4 O6 -","- C192 H272 B8 Li16 N16 O24 -","4","0.5","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","0.71073","MoKα","","0.0976","0.0521","","","0.1184","0.1411","","","","","","0.983","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008837","16.96","0.0009","15.047","0.0008","18.4848","0.001","90","","90","","90","","4717.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H68 B2 Li4 N4 O4 -","- C48 H68 B2 Li4 N4 O4 -","- C192 H272 B8 Li16 N16 O16 -","4","0.5","","Baber, R. Angharad; Charmant, Jonathan P. H.; Cook, Alistair J. R.; Farthing, Natalie E.; Haddow, Mairi F.; Norman, Nicholas C.; Orpen, A. Guy; Russell, Christopher A.; Slattery, John M.","Primary amido substituted diborane4 compounds and imidodiborate4 anions.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3137","3139","10.1039/b509653g","","","0.71073","MoKα","","0.09","0.0514","","","0.1273","0.147","","","","","","1.008","","","","has coordinates,has disorder","179792","2020-10-21","18:00:00",""
"7008839","21.1255","0.0001","7.9607","0.0002","22.6473","0.0003","90","","90","","90","","3808.68","0.11","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H22 Cl3 Hg3 N3 O2 S3 -","- C6 H18 Cl3 Hg3 N3 O2 S3 -","- C48 H144 Cl24 Hg24 N24 O16 S24 -","8","1","","Bharara, Mohan S.; Bui, Thanhhoa H.; Parkin, Sean; Atwood, David A.","Mercurophilic interaction in novel polynuclear Hg(II)-2-aminoethanethiolates.","Dalton transactions (Cambridge, England : 2003)","2005","","24","3874","3880","10.1039/b509699e","","","0.71073","MoKα","","0.0359","0.0247","","","0.0542","0.0573","","","","","","1.049","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008865","20.5293","0.0003","16.4027","0.0002","23.2611","0.0003","90","","90","","90","","7832.85","0.18","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H36 Br2 P2 Pt -","- C46 H36 Br2 P2 Pt -","- C368 H288 Br16 P16 Pt8 -","8","1","","Weisheit, Thomas; Escudero, Daniel; Petzold, Holm; Görls, Helmar; González, Leticia; Weigand, Wolfgang","Photochemical behavior of (diphosphine)(η(2)-tolane)Pt(0) complexes. Part A: Experimental considerations in solution and in the solid state.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9493","9504","10.1039/b925562a","","","0.71073","MoKα","","0.0606","0.0349","","","0.0702","0.0775","","","","","","1.036","","","","has coordinates","179792","2020-10-21","18:00:00",""
"7008977","18.8123","0.0011","18.5541","0.0011","29.0517","0.0018","90","","90","","90","","10140.4","1.1","293","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trimolybdenumditantalumoctaoxodecaisopropoxide","","- C30 H70 Mo3 O18 Ta2 -","- C30 Mo3 O18 Ta2 -","- C240 Mo24 O144 Ta16 -","8","1","","Johansson, Anders; Roman, Magnus; Seisenbaeva, Gulaim A.; Kloo, Lars; Szabo, Zoltan; Kessler, Vadim G.","The solution thermolysis approach to molybdenum(V) alkoxides: synthesis, solid state and solution structures of the bimetallic alkoxides of molybdenum(V) and niobium(V), tantalum(V) and tungsten(VI)","Journal of the Chemical Society, Dalton Transactions","2000","","3","387","","10.1039/a907720k","","","0.71073","MoKα","","0.145","0.0507","","","0.1161","0.1535","","","","","","0.906","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7008989","8.2411","0.001","14.043","0.003","27.145","0.004","90","","90","","90","","3141.5","0.9","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 F4 P -","- C18 H9 F4 P -","- C144 H72 F32 P8 -","8","1","","Corcoran, Christopher; Fawcett, John; Friedrichs, Steffi; Holloway, John H.; Hope, Eric G.; Russell, David R.; Saunders, Graham C.; Stuart, Alison M.","Structural and electronic impact of fluorine in the ortho positions of triphenylphosphine and 1,2-bis(diphenylphosphino)ethane; a comparison of 2,6-difluorophenyl- with pentafluorophenyl-phosphines","Journal of the Chemical Society, Dalton Transactions","2000","","2","161","","10.1039/a907759f","","","0.71073","MoKα","","0.069","0.0428","","","0.0949","0.1026","","","","","","1.059","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7008994","16.194","0.007","12.255","0.005","16.621","0.007","90","","90","","90","","3299","2","190","2","190","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H22 Cl F8 O P2 Rh -","- C37 H22 Cl F8 O P2 Rh -","- C148 H88 Cl4 F32 O4 P8 Rh4 -","4","0.5","","Corcoran, Christopher; Fawcett, John; Friedrichs, Steffi; Holloway, John H.; Hope, Eric G.; Russell, David R.; Saunders, Graham C.; Stuart, Alison M.","Structural and electronic impact of fluorine in the ortho positions of triphenylphosphine and 1,2-bis(diphenylphosphino)ethane; a comparison of 2,6-difluorophenyl- with pentafluorophenyl-phosphines","Journal of the Chemical Society, Dalton Transactions","2000","","2","161","","10.1039/a907759f","","","0.71073","MoKα","","0.0735","0.0467","","0.1067","0.0942","","","","1.059","1.116","1.116","","","","","has coordinates,has disorder","179793","2020-10-21","18:00:00",""
"7008996","16.159","0.002","12.536","0.003","16.644","0.003","90","","90","","90","","3371.6","1.1","190","2","190","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H18 Cl F12 Ir O P2 -","- C37 H18 Cl F12 Ir O P2 -","- C148 H72 Cl4 F48 Ir4 O4 P8 -","4","0.5","","Corcoran, Christopher; Fawcett, John; Friedrichs, Steffi; Holloway, John H.; Hope, Eric G.; Russell, David R.; Saunders, Graham C.; Stuart, Alison M.","Structural and electronic impact of fluorine in the ortho positions of triphenylphosphine and 1,2-bis(diphenylphosphino)ethane; a comparison of 2,6-difluorophenyl- with pentafluorophenyl-phosphines","Journal of the Chemical Society, Dalton Transactions","2000","","2","161","","10.1039/a907759f","","","0.71073","MoKα","","0.058","0.0314","","","0.0525","0.0607","","","","","","1.04","","","","has coordinates,has disorder","179793","2020-10-21","18:00:00",""
"7008997","16.312","0.004","12.303","0.004","16.451","0.004","90","","90","","90","","3301.5","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Cl2 F8 P2 Pt -","- C36 H22 Cl2 F8 P2 Pt -","- C144 H88 Cl8 F32 P8 Pt4 -","4","0.5","","Corcoran, Christopher; Fawcett, John; Friedrichs, Steffi; Holloway, John H.; Hope, Eric G.; Russell, David R.; Saunders, Graham C.; Stuart, Alison M.","Structural and electronic impact of fluorine in the ortho positions of triphenylphosphine and 1,2-bis(diphenylphosphino)ethane; a comparison of 2,6-difluorophenyl- with pentafluorophenyl-phosphines","Journal of the Chemical Society, Dalton Transactions","2000","","2","161","","10.1039/a907759f","","","0.71073","MoKα","","0.1469","0.0459","","0.099","0.0723","","","","0.971","1.122","1.122","","","","","has coordinates,has disorder","179793","2020-10-21","18:00:00",""
"7008998","16.299","0.003","16.059","0.003","22.341","0.005","90","","90","","90","","5848","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H42 N4 O2 Si2 W -","- C24 H42 N4 O2 Si2 W -","- C192 H336 N32 O16 Si16 W8 -","8","1","","Kay Lee, Hung; Wong, Yee-Lok; Zhou, Zhong-Yuan; Zhang, Ze-Ying; Ng, Dennis K. P.; Mak, Thomas C. W.","Synthesis and structures of dioxo-Mo(VI) and -W(VI) amides","Journal of the Chemical Society, Dalton Transactions","2000","","4","539","","10.1039/a907811h","","","0.71073","MoKα","","0.0688","0.0609","","0.1812","0.1751","","","","1.106","1.125","1.125","","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7008999","16.342","0.003","16.007","0.003","22.218","0.004","90","","90","","90","","5811.9","1.8","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H42 Mo N4 O2 Si2 -","- C24 H42 Mo N4 O2 Si2 -","- C192 H336 Mo8 N32 O16 Si16 -","8","1","","Kay Lee, Hung; Wong, Yee-Lok; Zhou, Zhong-Yuan; Zhang, Ze-Ying; Ng, Dennis K. P.; Mak, Thomas C. W.","Synthesis and structures of dioxo-Mo(VI) and -W(VI) amides","Journal of the Chemical Society, Dalton Transactions","2000","","4","539","","10.1039/a907811h","","","0.71073","MoKα","","0.0916","0.0744","","","0.1887","0.2051","","","","","","1.095","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7009014","14.48","0.01","15.64","0.01","10.957","0.006","90","","90","","90","","2481","3","173","1","173","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(maleic)(thiourea)2]n","","- C6 H10 N4 O4 S2 Zn -","- C6 H10 N4 O4 S2 Zn -","- C48 H80 N32 O32 S16 Zn8 -","8","1","","Zhang, Yugen; Jianmin, Li; Nishiura, Masayoshi; Hou, Hongyi; Deng, Wei; Imamoto, Tsuneo","Thermodynamically controlled products: novel motif of metallohelicates stabilized by inter- and intra-helix hydrogen bonds","Journal of the Chemical Society, Dalton Transactions","2000","","3","293","","10.1039/a908070h","","","0.7107","MoKα","","","0.052","","","","0.079","","","","","","1.48","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009058","16.7103","0.0008","14.8166","0.0007","25.1683","0.0012","90","","90","","90","","6231.4","0.5","158","","158","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 O Yb2 -","- C32 H46 O Yb2 -","- C256 H368 O8 Yb16 -","8","1","","Evans, William J.; Johnston, Matthew A.; Clark, Robert D.; Ziller, Joseph W.","Variability of (ring centroid)‒Ln‒(ring centroid) angles in the mixed ligand C5Me5/C8H8 complexes (C5Me5)Ln(C8H8) and [(C5Me5)Yb(THF)](μ-η8∶η8-C8H8)[Yb(C5Me5)]","Journal of the Chemical Society, Dalton Transactions","2000","","10","1609","","10.1039/a908412f","","","0.71073","MoKα","","0.067","0.0404","","0.1085","0.0998","","","","1.063","1.155","1.155","","","","","has coordinates,has disorder","179794","2020-10-21","18:00:00",""
"7009087","14.592","0.003","18.645","0.004","37.561","0.008","90","","90","","90","","10219","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H64 Cu4 N6 S8 Se4 W -","- C28 H64 Cu4 N6 S8 Se4 W -","- C224 H512 Cu32 N48 S64 Se32 W8 -","8","1","","Zhang, Qian-Feng; Bao, Mo-Tai; Hong, Mao-Chun; Cao, Rong; Song, Ying-Lin; Xin, Xin-Quan","Syntheses, crystal structures and non-linear optical responses of two new heteroselenometallic cluster compounds containing dithiocarbamate ligands","Journal of the Chemical Society, Dalton Transactions","2000","","4","605","","10.1039/a908524f","","","0.71073","MoKα","","0.1059","0.0815","","0.1542","0.1446","","","","1.23","1.291","1.291","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009108","15.427","0.003","15.619","0.004","19.877","0.002","90","","90","","90","","4789.4","1.6","125","","125","","","","","","","","?","5","P b c a","-P 2ac 2ab","61","","","","- C28 H9 B F15 Re -","- C28 H9 B F15 Re -","- C224 H72 B8 F120 Re8 -","8","1","","Doerrer, Linda H.; Graham, Andrew J.; Haussinger, Daniel; Green, Malcolm L. H.","Electrophilic addition reactions of the Lewis acids B(C6F5)2R [R = C6F5, Ph, H or Cl] with the metallocene hydrides [M(η-C5H5)2H2] (M = Mo or W), [Re(η-C5H5)2H] and [Ta(η-C5H5)2H3]","Journal of the Chemical Society, Dalton Transactions","2000","","5","813","","10.1039/a908623d","","","0.71073","MoKα","","","0.0238","","","","0.0247","","","","","","1.0402","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009110","14.701","0.004","13.552","0.004","19.941","0.003","90","","90","","90","","3972.8","1.7","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl Fe N3 O2 -","- C20 H21 Cl Fe N3 O2 -","- C160 H168 Cl8 Fe8 N24 O16 -","8","1","","Shyu, Huey-Lih; Wei, Ho-Hsiang; Lee, Gene-Hsaing; Wang, Yu","Structure, magnetic properties and epoxidation activity of iron(III) salicylaldimine complexes","Journal of the Chemical Society, Dalton Transactions","2000","","6","915","","10.1039/a908648j","","","0.71073","MolybdenumKα","","0.16","0.049","","0.062","0.049","","","","","1.48","1.48","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009177","17.9","0.003","21.4197","0.0019","24.477","0.002","90","","90","","90","","9384.8","1.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C58 H67 O4 P -","- C58 H67 O4 P -","- C464 H536 O32 P8 -","8","1","","Parlevliet, Floris J.; Kiener, Christoph; Fraanje, Jan; Goubitz, Kees; Lutz, Martin; Spek, Anthony L.; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.","Calix[4]arene based monophosphites, identification of three conformations and their use in the rhodium-catalysed hydroformylation of 1-octene","Journal of the Chemical Society, Dalton Transactions","2000","","7","1113","","10.1039/a909103c","","","0.71073","MoKα","","0.1543","0.0755","","","0.1487","0.1798","","","","","","1.014","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7009231","14.6828","0.0014","12.1699","0.001","18.895","0.003","90","","90","","90","","3376.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 B N6 S2 Zn -","- C12 H17 B N6 S2 Zn -","- C96 H136 B8 N48 S16 Zn8 -","8","1","","Kimblin, Clare; Bridgewater, Brian M.; Hascall, Tony; Parkin, Gerard","The synthesis and structural characterization of bis(mercaptoimidazolyl)(pyrazolyl)hydroborato and tris(mercaptoimidazolyl)hydroborato complexes of thallium(I) and thallium(III)","Journal of the Chemical Society, Dalton Transactions","2000","","8","1267","","10.1039/a909542j","","","0.71073","MoKα","","0.0896","0.0449","","0.1172","0.0966","","","","1.042","1.1","1.1","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009256","19.733","0.003","18.211","0.015","20.147","0.004","90","","90","","90","","7240","6","213","2","213","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","compound 13a","","","- C28 H37 Cl2 Co N3 Ni O12 P3 -","- C28 H19 Cl2 Co N3 Ni O12 P3 -","- C224 H152 Cl16 Co8 N24 Ni8 O96 P24 -","8","1","","De-qiang Ma; Shiro Hikichi; Munetaka Akita; Yoshihiko Moro-oka","An entry to half-sandwich complexes of first row transition metals (Ni, Co, Mn) containing the Kläui tripodal ligand, LOMe: synthesis and crystal structures of oligomeric, [LOMeM(μ-X)(L)]n (n = 2, 4), and monomeric complexes, LOMeM(L2)(X)","J. Chem. Soc., Dalton Trans.","2000","","7","1123","1134","10.1039/a909580b","","","0.7107","MoKα","","0.0932","0.0764","","","0.1909","0.1984","","","","","","1.327","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009280","11.144","0.002","9.852","0.002","12.139","0.002","90","","90","","90","","1332.7","0.4","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cl4 Cr2 -","- C10 H10 Cl4 Cr2 -","- C40 H40 Cl16 Cr8 -","4","0.5","","Umbarkar, Shubhangi; Sekar, Perumal; Scheer, Manfred","Chromium complexes with mixed Group 15 elements as ligands. Synthesis and characterisation of the first cyclo-P2As ligand in [CrCp(CO)2(η3-P2As)] †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1135","","10.1039/a909717a","","","0.71073","MoKα","","0.0375","0.0299","","0.0842","0.0765","","","","1.124","1.117","1.117","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009312","20.802","0.005","29.313","0.009","8.312","0.006","90","","90","","90","","5068","4","294.2","","294.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H22 Cl2 Zr -","- C33 H22 Cl2 Zr -","- C264 H176 Cl16 Zr8 -","8","1","","Baker, Robert W.; Foulkes, Michael A.; Turner, Peter","Enantiospecific synthesis of a planar chiral fluorenylzirconium ansa-metallocene: synthesis and structures of [1-(9-fluorenyl)- and [1-(1-methyl-9-fluorenyl)-2-(2-indenyl)naphthalene]zirconium dichloride","Journal of the Chemical Society, Dalton Transactions","2000","","4","431","","10.1039/a910246i","","","1.5418","CuKα","","0.082","0.082","","0.0733","0.0733","","","","2.145","2.145","2.145","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7009338","16.793","0.003","14.003","0.002","18.986","0.003","90","","90","","90","","4464.6","1.2","294","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Br2 Cu N4 O3 -","- C21 H24 Br2 Cu N4 O3 -","- C168 H192 Br16 Cu8 N32 O24 -","8","1","","He, Zhicong; Chaimungkalanont, P. Jinny; Craig, Donald C.; Colbran, Stephen B.","Copper(II) complexes of 6-hydroxymethyl-substituted tris(2-pyridylmethyl)amine ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","9","1419","","10.1039/b000092m","","","1.54184","CuKα","","","0.031","","","","0.04","","","","","","1.38","","","","has coordinates","191942","2020-10-21","18:00:00",""
"7009352","20.16","0.003","17.502","0.003","10.3781","0.0014","90","","90","","90","","3661.8","1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H23 N O9 S U -","- C13 H23 N O9 S U -","- C104 H184 N8 O72 S8 U8 -","8","1","","Venkateswara Rao, P.; Rao, Chebrolu P.; Sreedhara, Alavattam; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","Synthesis, structure and reactivity of trans-UO22+ complexes of OH-containing ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1213","","10.1039/b000142m","","","0.71069","MoKα","","0.048","0.0338","","0.0905","0.0865","","","","1.06","1.148","1.148","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009354","12.01","0.003","16.968","0.002","17.342","0.003","90","","90","","90","","3534.1","1.2","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O7 S U -","- C14 H21 N O7 S U -","- C112 H168 N8 O56 S8 U8 -","8","1","","Venkateswara Rao, P.; Rao, Chebrolu P.; Sreedhara, Alavattam; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","Synthesis, structure and reactivity of trans-UO22+ complexes of OH-containing ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1213","","10.1039/b000142m","","","0.71069","MoKα","","0.0601","0.0349","","0.0936","0.0889","","","","1.054","1.194","1.194","","","","","has coordinates,has disorder","179797","2020-10-21","18:00:00",""
"7009358","7.6825","0.0015","17.995","0.003","32.276","0.004","90","","90","","90","","4462","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N O7.5 S1.5 U -","- C17 H23 N O8 S U -","- C136 H184 N8 O64 S8 U8 -","8","1","","Venkateswara Rao, P.; Rao, Chebrolu P.; Sreedhara, Alavattam; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","Synthesis, structure and reactivity of trans-UO22+ complexes of OH-containing ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1213","","10.1039/b000142m","","","0.71073","MoKα","","0.0937","0.0506","","0.1713","0.1497","","","","1.104","1.237","1.237","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009448","12.712","0.001","18.682","0.002","25.41","0.002","90","","90","","90","","6034.5","0.9","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H49 Ag B N4 P -","- C28 H49 Ag B N4 P -","- C224 H392 Ag8 B8 N32 P8 -","8","1","","Lobbia, Giancarlo Gioia; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Solution and solid-state structural properties of silver(I) dihydrobis(pyrazolyl)borate compounds with tertiary mono(phosphine) ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","13","2123","","10.1039/b001168l","","","0.71073","MoKα","","0.04","0.031","","0.047","","0.045","","","1.178","","","1.229","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009468","15.56","0.011","8.838","0.007","22.162","0.016","90","","90","","90","","3048","4","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 Mg2 N4 O2 -","- C28 H44 Mg2 N4 O2 -","- C112 H176 Mg8 N16 O8 -","4","0.5","","Bailey, Philip J.; Dick, Caroline M. E.; Fabre, Sylvie; Parsons, Simon","Synthesis and characterisation of magnesium methyl complexes with monoanionic chelating nitrogen donor ligands and their reaction with dioxygen","Journal of the Chemical Society, Dalton Transactions","2000","","10","1655","","10.1039/b001316l","","","1.54178","CuKα","","0.0995","0.0582","","","0.1586","0.1871","","","","","","1.029","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7009483","15.282","0.003","11.3423","0.0019","28.242","0.005","90","","90","","90","","4895.3","1.5","423","2","423","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H33 Br3 Cu2 N4 O -","- C19 H33 Br3 Cu2 N4 O -","- C152 H264 Br24 Cu16 N32 O8 -","8","1","","Adams, Harry; Fenton, David E.; Haque, Shabana R.; Heath, Sarah L.; Ohba, Masaaki; Okawa, Hisashi; Spey, Sharon E.","Diversity in the reactions of unsymmetric dinucleating Schiff base ligands with CuII and NiII","Journal of the Chemical Society, Dalton Transactions","2000","","12","1849","","10.1039/b001395l","","","0.71073","MoKα","","0.1135","0.0678","","","0.152","0.177","","","","","","1.005","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009500","14.785","0.01","17.559","0.005","27.448","0.005","90","","90","","90","","7126","5","293","2","293","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","Trans-1,4bis(diphenylphosphine)-4-methylpyridinetrichlororuthenium(III)","","- C34.5 H35.5 Cl4 N P2 Ru -","- C34.5 H35 Cl4.004 N P2 Ru -","- C276 H280 Cl32.032 N8 P16 Ru8 -","8","1","","Wohnrath, Karen; de Araujo, Márcio Peres; Dinelli, Luis Rogério; Batista, Alzir Azevedo; de Sousa Moreira, Icaro; Castellano, Eduardo Ernesto; Ellena, Javier","Electrosynthesis of binuclear ruthenium complexes from [RuCl3(dppb)(L)] precursors [L = pyridine, 4-methylpyridine or dimethyl sulfoxide; dppb = 1,4-bis(diphenylphosphino)butane]","Journal of the Chemical Society, Dalton Transactions","2000","","19","3383","","10.1039/b001422m","","","1.54184","CuKα","","0.2352","0.0565","","0.1589","0.1228","","","","1.189","1.619","1.619","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7009505","14.07","0.002","17.08","0.003","18.899","0.004","90","","90","","90","","4541.7","1.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Cl N2 O P Pd -","- C24 H30 Cl N2 O P Pd -","- C192 H240 Cl8 N16 O8 P8 Pd8 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Palmer, Mark T.","Ether functionalised aminophosphines: synthesis and co-ordination chemistry of palladium(II) and platinum(II) complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","10","1669","","10.1039/b001436m","","","0.71069","MoKα","","0.0874","0.0534","","0.1446","0.1366","","","","1.104","1.296","1.296","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009551","19.985","0.005","19.711","0.002","16.547","0.003","90","","90","","90","","6518","2","293.2","","293.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H35 Cl2 Co N5 O12 Pb -","- C26 H33 Cl2 Co N5 O12 Pb -","- C208 H264 Cl16 Co8 N40 O96 Pb8 -","8","1","","Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatatsu; Ōkawa, Hisashi","Dinuclear CoIIMII (M = Pb or Co) complexes having a “Co(salen)” entity in a macrocyclic framework: ligand modulation effect and neighboring metal(II) effect upon oxygenation at the “Co(salen)” center","Journal of the Chemical Society, Dalton Transactions","2000","","16","2761","","10.1039/b001881n","","","0.7107","MoK","","","0.032","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009555","44.812","0.007","27.865","0.007","18.344","0.003","90","","90","","90","","22906","8","153.15","","153.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C108 H105 B2 Cl2 Co2 N16 O19.5 Pb2 -","- C108 H103 B2 Cl2 Co2 N16 O19.5 Pb2 -","- C864 H824 B16 Cl16 Co16 N128 O156 Pb16 -","8","1","","Furutachi, Hideki; Fujinami, Shuhei; Suzuki, Masatatsu; Ōkawa, Hisashi","Dinuclear CoIIMII (M = Pb or Co) complexes having a “Co(salen)” entity in a macrocyclic framework: ligand modulation effect and neighboring metal(II) effect upon oxygenation at the “Co(salen)” center","Journal of the Chemical Society, Dalton Transactions","2000","","16","2761","","10.1039/b001881n","","","0.7107","MoK(","","","0.065","","","0.0709","","","","","1.278","1.278","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009640","12.232","0.0002","18.5402","0.0003","24.4688","0.0002","90","","90","","90","","5549.13","0.14","293","2","293","2","","","","","","","-","8","P b c a","-P 2ac 2ab","61","","","","- C25 H21 Cl N2 O P2 Pd S2 -","- C25 H21 Cl N2 O P2 Pd S2 -","- C200 H168 Cl8 N16 O8 P16 Pd8 S16 -","8","1","","Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek","Remarkable S,N,S ' tridentate chelation to palladium(II) by the monoanion derived from [Ph2P(S)NH]2CO","Journal of the Chemical Society, Dalton Transactions","2000","","10","1545","","10.1039/b002413i","","","0.71073","MoKα","","0.0967","0.0504","","0.1304","0.1015","","","","1.07","1.131","1.131","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7009648","7.954","0.002","24.316","0.005","25.291","0.004","90","","90","","90","","4891.5","1.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H24 Br Cu3 I3 O6 Rb -","- C12 H24 Br Cu3 I3 O6 Rb -","- C96 H192 Br8 Cu24 I24 O48 Rb8 -","8","1","","Rusanova, Julia A.; Domasevitch, Konstantin V.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Rusanov, Eduard B.; Nedelko, Sergey G.; Chukova, Oksana V.; Ahrens, Birte; Raithby, Paul R.","New luminescent copper(I) halide complexes containing Rb+ complexes of 18-crown-6 as counter ions prepared from zerovalent copper","Journal of the Chemical Society, Dalton Transactions","2000","","13","2175","","10.1039/b002451l","","","0.71073","MoKα","","0.0915","0.0528","","0.1255","0.1049","","","","1.002","1.085","1.085","","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009667","19.037","0.001","13.646","0.001","30.587","0.002","90","","90","","90","","7945.9","0.9","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H30 Cl2 Cu N6 -","- C13 H30 Cl2 Cu N6 -","- C208 H480 Cl32 Cu16 N96 -","16","2","","Pohl, Siegfried; Harmjanz, Michael; Schneider, Jörg; Saak, Wolfgang; Henkel, Gerald","1,3-Bis(N,N,N',N'-tetramethylguanidino)propane: synthesis, characterization and bonding properties of the first bidentate, peralkylated guanidine ligand †","Journal of the Chemical Society, Dalton Transactions","2000","","19","3473","","10.1039/b002554m","","","0.71073","MoKα","","0.09","0.0601","","","0.1338","0.1548","","","","","","1.164","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009784","14.479","0.002","18.019","0.003","21.808","0.004","90","","90","","90","","5689.6","1.6","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H35 B Cu N6 P -","- C28 H35 B Cu N6 P -","- C224 H280 B8 Cu8 N48 P8 -","8","1","","Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.","Synthesis, spectroscopic characterization, and structural systematics of new triorganophosphinecopper(I) poly(pyrazol-1-yl)borate complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","19","3416","","10.1039/b003613g","","","0.71073","MoKα","","0.051","0.036","","0.047","","0.046","","","1.45","","","1.584","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009789","11.384","0.001","19.052","0.002","20.467","0.002","90","","90","","90","","4439","0.7","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H23 B Cu N6 P -","- C22 H23 B Cu N6 P -","- C176 H184 B8 Cu8 N48 P8 -","8","1","","Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.","Synthesis, spectroscopic characterization, and structural systematics of new triorganophosphinecopper(I) poly(pyrazol-1-yl)borate complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","19","3416","","10.1039/b003613g","","","0.71073","MoKα","","0.037","0.028","","0.041","","0.04","","","1.44","","","1.534","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7009837","13.08","0.003","24.057","0.004","31.3","0.004","90","","90","","90","","9849","3","193.2","","193.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H54.62 As6 Co F18 O1.31 P3 -","- C35 H54 As6 Co F18 O1.31 P3 -","- C280 H432 As48 Co8 F144 O10.48 P24 -","8","1","","Doyle, Roy J.; Habermehl, Nicole; Salem, Geoffrey; Willis, Anthony C.","Synthesis of chiral multidentate tertiary arsines with As4 or As6 donor atoms","Journal of the Chemical Society, Dalton Transactions","2000","","20","3603","","10.1039/b003981k","","","1.5418","CuKα","","0.0768","0.0473","","0.0574","","0.0542","","","1.908","","","2.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009868","21.598","0.004","22.296","0.005","27.992","0.006","90","","90","","90","","13480","5","143","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H69 I3 N17 U -","- C69 H69 I3 N17 U -","- C552 H552 I24 N136 U8 -","8","1","","Wietzke, Raphaël; Mazzanti, Marinella; Latour, Jean-Marc; Pécaut, Jacques","Solution and solid state structures of uranium(III) and lanthanum(III) iodide complexes of tetradentate tripodal neutral N-donor ligands †","Journal of the Chemical Society, Dalton Transactions","2000","","22","4167","","10.1039/b004179n","","","0.71073","MoKα","","0.1121","0.0422","","","0.0942","0.1235","","","","","","0.916","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009933","14.203","0.01","10.444","0.007","15.109","0.012","90","","90","","90","","2241","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 Cd N4 S2 -","- C6 H12 Cd N4 S2 -","- C48 H96 Cd8 N32 S16 -","8","1","","Mondal, Nijhuma; Saha, Manas Kumar; Mitra, Samiran; Gramlich, Volker","Synthesis and crystal structure of thiocyanato or azido bridged one- or two-dimensional polymeric complexes of cadmium(II)","Journal of the Chemical Society, Dalton Transactions","2000","","18","3218","","10.1039/b004428h","","","0.71073","MoKα","","0.0198","0.0162","","0.0453","0.0447","","","","1.109","1.195","1.195","","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7009956","14.866","0.017","17.311","0.02","20.639","0.024","90","","90","","90","","5311","11","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Cl F6 N3 P Ru S3 -","- C21 H23 Cl F6 N3 P Ru S3 -","- C168 H184 Cl8 F48 N24 P8 Ru8 S24 -","8","1","","Madureira, João; Santos, Teresa M.; Goodfellow, Brian J.; Lucena, Mónica; Pedrosa de Jesus, Júlio; Santana-Marques, Maria G.; Drew, Michael G. B.; Félix, Vítor","Structural characterisation of new RuII[9]aneS3 polypyridylic complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4422","","10.1039/b004752j","","","0.71073","MoKα","","0.0742","0.0462","","","0.1132","0.1249","","","","","","1.102","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7010011","7.005","0.0003","19.8147","0.0008","27.205","0.001","90","","90","","90","","3776.1","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H17 B Cu F4 N3 O3 -","- C18 H17 B Cu F4 N3 O3 -","- C144 H136 B8 Cu8 F32 N24 O24 -","8","1","","Zhang, Jing; Xiong, Ren-Gen; Zuo, Jing-Lin; Che, Chi-Ming; You, Xiao-Zeng","Highly stable copper(I)-olefin coordination polymers capable of co-existing with water and acid","Journal of the Chemical Society, Dalton Transactions","2000","","17","2898","","10.1039/b005101m","","","0.71073","MoKα","","0.1264","0.0626","","","0.1276","0.1515","","","","","","1.016","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010048","14.298","0.002","13.7595","0.0015","28.23","0.004","90","","90","","90","","5553.8","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Cl2 Fe N6 O8 -","- C24 H30 Cl2 Fe N6 O8 -","- C192 H240 Cl16 Fe8 N48 O64 -","8","1","","Fallis, Ian A.; Farley, Richard D.; Malik, K. M. Abdul; Murphy, Damien M.; Smith, Hayley J.","Divalent first-row transition metal complexes of the rigid pendant-arm ligand 1,4,7-tris(2-aminophenyl)-1,4,7-triazacyclononane †","Journal of the Chemical Society, Dalton Transactions","2000","","20","3632","","10.1039/b005402j","","","0.71073","MoKα","","0.1089","0.0413","","0.1044","0.0935","","","","0.95","1.201","1.201","","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010049","14.282","0.004","13.765","0.005","28.182","0.004","90","","90","","90","","5540","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Cl2 N6 Ni O8 -","- C24 H30 Cl2 N6 Ni O8 -","- C192 H240 Cl16 N48 Ni8 O64 -","8","1","","Fallis, Ian A.; Farley, Richard D.; Malik, K. M. Abdul; Murphy, Damien M.; Smith, Hayley J.","Divalent first-row transition metal complexes of the rigid pendant-arm ligand 1,4,7-tris(2-aminophenyl)-1,4,7-triazacyclononane †","Journal of the Chemical Society, Dalton Transactions","2000","","20","3632","","10.1039/b005402j","","","0.71073","MoKα","","0.182","0.0672","","0.1801","0.1499","","","","0.957","1.204","1.204","","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010116","21.794","0.003","16.8602","0.0018","32.854","0.004","90","","90","","90","","12072","3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H8 O15 Ru5 -","- C25 H8 O15 Ru5 -","- C400 H128 O240 Ru80 -","16","2","","Charmant, Jonathan P. H.; Crawford, Paul; King, Philip J.; Quesada-Pato, Roberto; Sappa, Enrico","Acid promoted formation of tri- and penta-ruthenium allenylidene complexes","Journal of the Chemical Society, Dalton Transactions","2000","","23","4390","","10.1039/b006146h","","","0.71073","MoKα","","0.1366","0.0501","","","0.0562","0.0723","","","","","","0.945","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010137","8.0291","0.0009","15.1212","0.0013","25.985","0.004","90","","90","","90","","3154.8","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H19 I N2 O2 Pt S -","- C12 H19 I N2 O2 Pt S -","- C96 H152 I8 N16 O16 Pt8 S8 -","8","1","","Albrecht, Martin; Lutz, Martin; Schreurs, Antoine M. M.; Lutz, Egbert T. H.; Spek, Anthony L.; van Koten, Gerard","Self-assembled organoplatinum(II) supermolecules as crystalline, SO2 gas-triggered switches †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3797","","10.1039/b006419j","","","0.71073","MoKα","","0.0815","0.0413","","","0.0656","0.0752","","","","","","0.982","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010148","9.9312","0.0008","18.493","0.002","38.273","0.004","90","","90","","90","","7029.1","1.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 B3 F6 Ir O P2 -","- C37 H30 B3 F6 Ir O P2 -","- C296 H240 B24 F48 Ir8 O8 P16 -","8","1","","Lu, Norman; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Timms, Peter L.; Whittell, George R.","Transition metal complexes incorporating the BF2 ligand formed by oxidative addition of the B‒B bond in B2F4","Journal of the Chemical Society, Dalton Transactions","2000","","22","4032","","10.1039/b006535h","","","0.71073","MoKα","","0.0613","0.0358","","0.0658","0.0582","","","","1.097","1.142","1.142","","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00",""
"7010171","23.676","0.006","27.32","0.01","8.951","0.008","90","","90","","90","","5790","6","23","","23","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","?","- C208 H224 Br16 Cu8 N32 O40 -","- C208 H224 Br16 Cu8 N32 O40 -","","","","Yonemura, Masami; Usuki, Naoki; Nakamura, Yuuki; Ohba, Masaaki; Ōkawa, Hisashi","Macrocyclic effect upon site-selective CuIIMII or MIICuII core formation with unsymmetric phenol-based macrocyclic ligands","Journal of the Chemical Society, Dalton Transactions","2000","","20","3624","","10.1039/b006605m","","","0.7107","MoKalpha","","","0.053","","","0.043","","","","","3.24","3.24","","","","","has coordinates","288156","2023-12-07","18:40:59",""
"7010207","18.3351","0.0009","16.5713","0.0005","29.009","0.002","90","","90","","90","","8814","0.8","213","2","213","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","Bis(μ-trifluoroacetato-O,O')-bis(ν4-cyclo-octa-1,5-diene)- di-rhodium(I)","","- C20 H24 F6 O4 Rh2 -","- C20 H24 F6 O4 Rh2 -","- C320 H384 F96 O64 Rh32 -","16","2","","Cotton, F. Albert; Dikarev, Evgeny V.; Petrukhina, Marina A.","cis-Di(μ-trifluoroacetate)dirhodium tetracarbonyl: structure and chemistry †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4241","","10.1039/b006894m","","","0.71073","MoKα","","0.0407","0.0361","","0.0906","0.0847","","","","1.088","1.083","1.083","","","","","has coordinates,has disorder","179806","2020-10-21","18:00:00",""
"7010253","18.088","","26.151","","19.245","","90","","90","","90","","9103.26","","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H62 N2 O10 Rh2 -","- C44 H62 N2 O10 Rh2 -","- C352 H496 N16 O80 Rh16 -","8","1","","Bonar-Law, Richard P.; McGrath, Thomas D.; Singh, Nirmal; Bickley, Jamie F.; Femoni, Cristina; Steiner, Alexander","Dirhodium(II) carboxylates as building blocks. Synthesis and structures of cis-chelate complexes","Journal of the Chemical Society, Dalton Transactions","2000","","23","4343","","10.1039/b007428o","","","0.71073","MoKα","","0.1593","0.0894","","","0.1951","0.2177","","","","","","0.998","","","","has coordinates,has disorder","179806","2020-10-21","18:00:00",""
"7010263","16.001","0.007","22.237","0.007","15.686","0.005","90","","90","","90","","5581","3","150.2","","150.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Cl2 P Ru Se3 -","- C26 H33 Cl2 P Ru Se3 -","- C208 H264 Cl16 P8 Ru8 Se24 -","8","1","","Levason, William; Orchard, Simon D.; Reid, Gillian","Synthesis, characterisation and reactions of ruthenium(II) complexes based upon [RuL3]2+ (L3 = tripodal triseleno- or tritelluro-ether) fragments. Structures of [RuCl2(PPh3){MeC(CH2SeMe)3}] and [RuCl2(dmso){MeC(CH2SeMe)3}]","Journal of the Chemical Society, Dalton Transactions","2000","","24","4550","","10.1039/b007487j","","","0.7107","MoKα","","","0.0357","","","","0.0372","","","","","","1.263","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010294","13.019","0.003","27.297","0.008","11.095","0.003","90","","90","","90","","3942.9","1.8","295.2","","295.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cr F6 P -","- C21 H21 Cr F6 P -","- C168 H168 Cr8 F48 P8 -","8","1","","Beddoes, Roy L.; Elwell, Mark S.; Mabbs, Frank E.; McInnes, Eric J. L.; Roberts, Andrew; Sarwar, M. Fahad; Whiteley, Mark W.","Synthesis, redox chemistry and EPR spectroscopy of the mixed-sandwich complexes (η-arene)(η-cycloheptatrienyl)metal(z+) (M = Cr or Mo; z = 1 or 2): crystal structures of the redox pair [Cr(η-C6H5Me)(η-C7H6C6H4Me-4)][PF6]n (n = 1 or 2)","Journal of the Chemical Society, Dalton Transactions","2000","","24","4669","","10.1039/b007830l","","","0.7107","MoKα","","0.1062","0.0622","","0.0471","0.045","","","","2.762","3.402","3.402","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7010312","15.4207","0.0014","9.2306","0.0007","18.5641","0.0016","90","","90","","90","","2642.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(isopropoxy)stibane","","- C9 H21 O3 Sb -","- C9 H21 O3 Sb -","- C72 H168 O24 Sb8 -","8","1","","Fleischer, Holger; Bayram, Hatice; Elzner, Stephan; Mitzel, Norbert W.","Experimental and theoretical studies of the molecular and crystal structures of trialkoxy- and chlorodialkoxy-stibanes †","Journal of the Chemical Society, Dalton Transactions","2001","","4","373","","10.1039/b007926j","","","0.71073","MoKα","","0.0509","0.032","","","0.0815","0.0881","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010384","18.022","0.004","14.943","0.003","32.02","0.008","90","","90","","90","","8623","3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Cl2 Co N4 O14 -","- C11 H23 Cl2 Co N4 O14 -","- C176 H368 Cl32 Co16 N64 O224 -","16","2","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.1033","0.0509","","","0.0953","0.1128","","","","","","1.088","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010402","22.843","0.009","18.422","0.006","15.489","0.005","90","","90","","90","","6518","4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H50 Cu2 N12 O15 -","- C17 H46 Cu2 N12 O15 -","- C136 H368 Cu16 N96 O120 -","8","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.0789","0.0494","","0.0715","","0.0611","","","1.383","","","1.486","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7010436","14.576","0.0011","13.4314","0.0009","21.021","0.0015","90","","90","","90","","4115.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Al2 N O -","- C16 H29 Al2 N O -","- C128 H232 Al16 N8 O8 -","8","1","","Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1359","","10.1039/b009070k","","","0.71073","MoKα","","0.0735","0.051","","","0.182","0.2082","","","","","","1.012","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010474","28.777","0.002","28.965","0.003","29.868","0.003","90","","90","","90","","24896","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C212 H186 Cl22 N40 O32 Rh8 -","- C212 Cl22 N40 O32 Rh8 -","- C848 Cl88 N160 O128 Rh32 -","4","0.5","","Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.","The first dirhodium-based supramolecular assemblies with interlocking lattices and double helices","Journal of the Chemical Society, Dalton Transactions","2001","","5","499","","10.1039/b009612l","","","0.71073","MoKα","","0.2347","0.0842","","","0.1965","0.2528","","","","","","0.873","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00",""
"7010494","16.4932","0.001","11.5769","0.0008","19.8969","0.0013","90","","90","","90","","3799.1","0.4","160","2","160","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl2 N7 O4 Ru S -","- C11 H23 Cl2 N7 O4 Ru S -","- C88 H184 Cl16 N56 O32 Ru8 S8 -","8","1","","Price, Clayton; Shipman, Michelle A.; Gummerson, Sarah L.; Houlton, Andrew; Clegg, William; Elsegood, Mark R. J.","Ruthenium‒carbon bond formation via cyclometallation of a nucleobase","Journal of the Chemical Society, Dalton Transactions","2001","","4","353","","10.1039/b009766g","","","0.71073","MoKα","","0.0453","0.0359","","","0.076","0.0795","","","","","","1.134","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010510","13.4416","0.0012","14.0419","0.0012","14.604","0.0014","90","","90","","90","","2756.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-chloro-2-(triethylphosphino)-1,3,2-benzodioxaborole","","- C12 H19 B Cl O2 P -","- C12 H19 B Cl O2 P -","- C96 H152 B8 Cl8 O16 P8 -","8","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1059","","","","","","1.074","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010550","16.816","0.003","12.065","0.004","20.293","0.004","90","","90","","90","","4117.1","1.7","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H28 Cl2 Cu N4 O5 -","- C15 H28 Cl2 Cu N4 O5 -","- C120 H224 Cl16 Cu8 N32 O40 -","8","1","","Lindoy, Leonard F.; Rambusch, Torsten; Skelton, Brian W.; White, Allan H.","Comparative DFT and X-ray structural studies of five-coordinate, N4-donor macrocyclic ligand complexes of Cu(II) and Zn(II)","Journal of the Chemical Society, Dalton Transactions","2001","","12","1857","","10.1039/b100250n","","","0.71073","MoKα","","0.146","0.067","","0.081","","0.069","","","1.205","","","1.457","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010594","13.865","0.002","15.721","0.003","22.912","0.004","90","","90","","90","","4994.2","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Al N O -","- C25 H36 Al N O -","- C200 H288 Al8 N8 O8 -","8","1","","Cameron, Paul A.; Gibson, Vernon C.; Redshaw, Carl; Segal, John A.; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of neutral dialkylaluminium complexes stabilised by salicylaldiminato ligands, and their conversion to monoalkylaluminium cations †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1472","","10.1039/b100743m","","","0.71073","MoKα","","0.1538","0.0661","","0.1964","0.1406","","","","1.012","1.088","1.088","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010602","15.79","0.006","13.841","0.005","16.717","0.012","90","","90","","90","","3653","3","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Mo2 N O S3 -","- C15 H23 Mo2 N O S3 -","- C120 H184 Mo16 N8 O8 S24 -","8","1","","Schollhammer, Philippe; Le Hénanf, Marc; Le Roy-Le Floch, Christine; Pétillon, François Y.; Talarmin, Jean; Muir, Kenneth W.","Acetonitrile hydration versus molybdenum oxidation at the sulfur-rich bimetallic site {MoIII2Cp2(μ-SMe)3}+. Crystal structure of the μ-η1 ∶ η1-amidato complex [Mo2Cp2(μ-MeCONH)(μ-SMe)3]","Journal of the Chemical Society, Dalton Transactions","2001","","10","1573","","10.1039/b100986i","","x-ray","0.71073","MoKα","","","0.0621","","","","0.1584","","","","","","0.852","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010612","15.877","0.002","17.546","0.003","22.725","0.004","90","","90","","90","","6330.7","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.5 H30 Cl3 Fe N5 -","- C33.5 H30 Cl3 Fe N5 -","- C268 H240 Cl24 Fe8 N40 -","8","1","","Britovsek, George J. P.; Gibson, Vernon C.; Kimberley, Brian S.; Mastroianni, Sergio; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Bis(imino)pyridyl iron and cobalt complexes: the effect of nitrogen substituents on ethylene oligomerisation and polymerisation","Journal of the Chemical Society, Dalton Transactions","2001","","10","1639","","10.1039/b101173l","","","1.54178","CuKα","","0.0937","0.0501","","0.1497","0.1127","","","","1.046","1.135","1.135","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7010640","17.059","0.01","11.247","0.005","24.52","0.008","90","","90","","90","","4704","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 Ag2 N8 O6 S -","- C19 H28 Ag2 N8 O6 S -","- C152 H224 Ag16 N64 O48 S8 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Fang, Yue; Chen, Xiao-Ming","Syntheses and structures of three two-dimensional silver(I)‒hexamethylenetetramine co-ordination polymers with new topological motifs","Journal of the Chemical Society, Dalton Transactions","2001","","13","2049","","10.1039/b101539g","","","0.71073","MoKα","","0.105","0.0543","","","0.1122","0.1303","","","","","","1.008","","","","has coordinates","179810","2020-10-21","18:00:00",""
"7010790","16.6209","0.0007","17.8973","0.0008","18.1065","0.0008","90","","90","","90","","5386.1","0.4","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Fe(bztpen)Br]PF6","[Fe(bztpen)Br]PF6","","- C27 H29 Br Cl Fe N5 O4 -","- C27 H29 Br Cl Fe N5 O4 -","- C216 H232 Br8 Cl8 Fe8 N40 O32 -","8","1","","Alan Hazell; Christine J. McKenzie; Lars Preuss Nielsen; Siegfried Schindler; Markus Weitzer","Mononuclear non-heme iron(III) peroxide complexes: syntheses, characterisation, mass spectrometric and kinetic studies","J. Chem. Soc., Dalton Trans.","2002","","3","310","317","10.1039/b103844n","","","0.71073","MoKα","","","0.028","","","","0.033","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010799","10.0638","0.001","16.446","0.003","40.816","0.005","90","","90","","90","","6755.4","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N6 P2 Pd -","- C34 H40 N6 P2 Pd -","- C272 H320 N48 P16 Pd8 -","8","1","","Yong-Joo Kim; Yong-Su Kwak; Young-Seon Joo; Soon-W. Lee","Reactions of palladium(II) and platinum(II) bis(azido) complexes with isocyanides: synthesis and structural characterization of palladium(II) and platinum(II) complexes containing carbodiimido (or bis(carbodiimido)) and bis(tetrazolato) ligands","J. Chem. Soc., Dalton Trans.","2002","","2","144","151","10.1039/b103916b","","","0.71073","MoKα","","0.1502","0.0669","","","0.1344","0.1717","","","","","","1.012","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010841","10.2026","0.0014","16.4365","0.0018","26.152","0.002","90","","90","","90","","4385.6","0.8","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H21 Ni O P -","- C26 H21 Ni O P -","- C208 H168 Ni8 O8 P8 -","8","1","","John F. Gallagher; Peter Butler; Richard D. A. Hudson; Anthony R. Manning","Synthesis, characterisation and some reactions of alkynyl derivatives [Ni(η5-C5H5)(PPh3)CCX]","J. Chem. Soc., Dalton Trans.","2002","","1","75","82","10.1039/b104442g","","","0.71073","MoKα","","0.1684","0.0621","","","0.099","0.1289","","","","","","0.993","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010873","8.9646","0.0003","22.8924","0.0009","23.9497","0.0009","90","","90","","90","","4915","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H12 B Cl3 Cu F4 N5 -","- C18 H12 B Cl3 Cu F4 N5 -","- C144 H96 B8 Cl24 Cu8 F32 N40 -","8","1","","Yuan, Rong-Xin; Xiong, Ren-Gen; Abrahams, Brendan F.; Lee, Gene-Hsiang; Peng, Shie-Ming; Che, Chi-Ming; You, Xiao-Zeng","A Cu(I) coordination polymer employing a nonsteroidal aromatase inhibitor letrozole as a building block†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2071","","10.1039/b104880p","","","0.71073","MoKα","","0.138","0.0822","","","0.2535","0.2814","","","","","","1.083","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00",""
"7010874","10.1445","0.0008","15.861","0.004","28.332","0.002","90","","90","","90","","4558.7","1.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H37 N S3 Ti -","- C16 H37 N S3 Ti -","- C128 H296 N8 S24 Ti8 -","8","1","","Carmalt, Claire J.; Dinnage, Christopher W.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Thiolate derivatives of titanium(iv) and tantalum(v) as precursors to metal sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","18","2554","","10.1039/b104888k","","","1.54178","CuKα","","0.1062","0.0566","","0.1979","0.1368","","","","1.039","1.1","1.1","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010898","20.535","0.0003","10.3459","0.0002","24.7566","0.0006","90","","90","","90","","5259.62","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H36 N P -","- C32 H36 N P -","- C256 H288 N8 P8 -","8","1","","Said, Musa; Thornton-Pett, Mark; Bochmann, Manfred","Titanium and zirconium complexes with sterically hindered aryl-substituted iminophosphoranato ligands","Journal of the Chemical Society, Dalton Transactions","2001","","19","2844","","10.1039/b105038a","","","0.71073","MoKα","","0.0528","0.0434","","","0.1098","0.1197","","","","","","1.041","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010952","10.41","0.002","12.937","0.003","23.445","0.005","90","","90","","90","","3157.4","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(MeNEt3)2[Pd(dmit)2]","","","- C20 H36 N2 Pd S10 -","- C20 H36 N2 Pd S10 -","- C80 H144 N8 Pd4 S40 -","4","0.5","","Fang Qi; Thomas C. W. Mak; Zhou Zhong-Yuan; Yang Qing-Chuan; Liu Zhi; Yu Wen-Tao; Zhu Dao-Ben; Jiang Min-Hua","Syntheses and crystal structures of the molecular conductors Z[Pd(dmit)2]2{Z = (Me3NEt)+, (MeNEt3)+, (NEt4)+} and their precursors Z2[Pd(dmit)2]","J. Chem. Soc., Dalton Trans.","2002","","7","1377","1385","10.1039/b105854c","","","0.71073","MoKα","","0.0717","0.0567","","","0.136","0.1444","","","","","","1.198","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011043","15.471","0.004","25.898","0.009","28.726","0.006","90","","90","","90","","11510","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H66 Cl Co3 N5 P2 S3 -","- C55 H64 Cl Co3 N5 P2 S3 -","- C440 H512 Cl8 Co24 N40 P16 S24 -","8","1","","Fan, Xiaoling; Cao, Rong; Hong, Maochun; Su, Weiping; Sun, Daofeng","A novel trinuclear cobalt complex comprising moieties derived from single and double C–S bond cleavage of diethyldithiocarbamate","Journal of the Chemical Society, Dalton Transactions","2001","","20","2961","","10.1039/b107017g","","","0.71073","MoKα","","0.1997","0.0807","","","0.1354","0.1798","","","","","","1.069","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011052","8.7379","0.0003","17.2627","0.0005","40.8907","0.0011","90","","90","","90","","6167.9","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 N2 O4 P2 Pt -","- C28 H30 Cl2 N2 O4 P2 Pt -","- C224 H240 Cl16 N16 O32 P16 Pt8 -","8","1","","Alexandra M. Z. Slawin; Matthew Wainwright; J. Derek Woollins","The preparation and coordination chemistry of phosphorus(III) derivatives of dialkyl hydrazines","J. Chem. Soc., Dalton Trans.","2002","","4","513","519","10.1039/b107072j","","","0.71073","MoKα","","0.0586","0.0339","","","0.0631","0.0696","","","","","","0.982","","","","has coordinates","179814","2020-10-21","18:00:00",""
"7011074","17.7244","0.0002","14.7931","0.0003","20.5958","0.0003","90","","90","","90","","5400.19","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Br6 Co2 N4 O8 -","- C46 H52 Br6 Co2 N4 O8 -","- C184 H208 Br24 Co8 N16 O32 -","4","0.5","","Davidson, Gregory J. E.; Loeb, Stephen J.; Parekh, Neal A.; Wisner, James A.","Zwitterionic [2]rotaxanes utilising anionic transition metal stoppers","Journal of the Chemical Society, Dalton Transactions","2001","","21","3135","","10.1039/b107257a","","","0.71073","MoKα","","0.1852","0.1198","","","0.3007","0.3532","","","","","","1.087","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011075","17.893","0.002","14.854","0.002","20.799","0.003","90","","90","","90","","5528","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Br6 Mn2 N4 O8 -","- C46 H52 Br6 Mn2 N4 O8 -","- C184 H208 Br24 Mn8 N16 O32 -","4","0.5","","Davidson, Gregory J. E.; Loeb, Stephen J.; Parekh, Neal A.; Wisner, James A.","Zwitterionic [2]rotaxanes utilising anionic transition metal stoppers","Journal of the Chemical Society, Dalton Transactions","2001","","21","3135","","10.1039/b107257a","","","0.71073","MoKα","","0.0632","0.0395","","","0.105","0.1155","","","","","","0.972","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011208","15.2065","0.0016","14.8447","0.0016","15.5194","0.0017","90","","90","","90","","3503.3","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 Na O5 -","- C15.068 H25.136 Na O5 -","- C120.544 H201.088 Na8 O40 -","8","1","","Marcus L. Cole; Cameron Jones; Peter C. Junk","Ether and crown ether adduct complexes of sodium and potassium cyclopentadienide and methylcyclopentadienide—molecular structures of [Na(dme)Cp]∞, [K(dme)0.5Cp]∞, [Na(15-crown-5)Cp], [Na(18-crown-6)CpMe] and the “naked Cp−” complex [K(15-crown-5)2][Cp]","J. Chem. Soc., Dalton Trans.","2002","","6","896","905","10.1039/b109124g","","","0.71073","MoKα","","0.1132","0.0699","","","0.193","0.2333","","","","","","1.019","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7011321","19.195","0.003","17.909","0.003","24.65","0.004","90","","90","","90","","8474","2","158","2","158","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H64 Cl2 Cu2 N8 O13 -","- C37 H64 Cl2 Cu2 N8 O13 -","- C296 H512 Cl16 Cu16 N64 O104 -","8","1","","Yann Dussart; Charlie Harding; Pia Dalgaard; Christine McKenzie; Renuka Kadirvelraj; Vickie McKee; Jane Nelson","Cascade chemistry in azacryptand cages: bridging carbonates and methylcarbonates","J. Chem. Soc., Dalton Trans.","2002","","8","1704","1713","10.1039/b110449g","","","0.71073","MoKα","","0.0577","0.033","","","0.0792","0.0841","","","","","","0.911","","","","has coordinates","179817","2020-10-21","18:00:00",""
"7011359","13.6454","0.0002","27.2037","0.0004","13.5497","0.0002","90","","90","","90","","5029.72","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cd6 Cl6 N16 -","- C28 H16 Cd6 Cl6 N16 -","- C112 H64 Cd24 Cl24 N64 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication","Journal of the Chemical Society, Dalton Transactions","2002","","9","1907","","10.1039/b111059d","","","0.71073","MoKα","","0.0602","0.0379","","","0.0948","0.1121","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011360","13.794","0.008","26.99","0.006","13.665","0.005","90","","90","","90","","5087","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H20 Cd6 N18 -","- C30 H20 Cd6 N18 -","- C120 H80 Cd24 N72 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication","Journal of the Chemical Society, Dalton Transactions","2002","","9","1907","","10.1039/b111059d","","","0.71069","MoKα","","","0.0776","","","0.1807","","","","","1.146","1.146","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011361","13.724","0.004","27.269","0.006","13.569","0.005","90","","90","","90","","5078","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 Cd6 N16 O5 -","- C26 H14 Cd6 N16 -","- C104 H56 Cd24 N64 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication","Journal of the Chemical Society, Dalton Transactions","2002","","9","1907","","10.1039/b111059d","","","0.71069","MoKα","","","0.0745","","","0.1956","","","","","1.158","1.158","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011362","13.718","0.007","27.232","0.005","13.639","0.005","90","","90","","90","","5095","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Cd6 N16 O4 -","- C26 H14 Cd6 N16 O2 -","- C104 H56 Cd24 N64 O8 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication","Journal of the Chemical Society, Dalton Transactions","2002","","9","1907","","10.1039/b111059d","","","0.71069","MoKα","","","0.0702","","","0.177","","","","","1.17","1.17","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011363","13.74","0.006","27.03","0.01","13.647","0.006","90","","90","","90","","5068","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Cd6 N16 O7 -","- C26 H14 Cd6 N16 O2 -","- C104 H56 Cd24 N64 O8 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication","Journal of the Chemical Society, Dalton Transactions","2002","","9","1907","","10.1039/b111059d","","","0.71069","MoKα","","","0.0623","","","0.1706","","","","","1.13","1.13","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011370","25.162","0.002","19.489","0.002","19.329","0.002","90","","90","","90","","9478.6","1.6","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H54 Cl2 N4 O2 P2 Pd -","- C51 H54 Cl2 N4 O2 P2 Pd -","- C408 H432 Cl16 N32 O16 P16 Pd8 -","8","1","","Ahmad, Mustaffa; Perera, Sarath D.; Shaw, Bernard L.; Thornton-Pett, Mark","Uni-, bi- and ter-dentate complexes formed from PPh2CH2C(R)NNHC(O)Ph (R = But or Ph) and Pd or Pt: crystal structures of [PdCl{PPh2CH2C(But)NNC(Ph)O}], [Pt{PPh2CHC(Ph)NNC(Ph)O}{PPh2CH2C(Ph)NNHC(O)Ph}] and [Pd{PPh2CHC(But)NHNC(O)Ph}2]","Journal of the Chemical Society, Dalton Transactions","2002","","9","1954","","10.1039/b111079a","","","0.71069","MoKα","","0.0443","0.0316","","","0.0718","0.0792","","","","","","1.069","","","","has coordinates","179817","2020-10-21","18:00:00",""
"7011419","17.6284","0.0003","17.1624","0.0003","40.0873","0.0007","90","","90","","90","","12128.2","0.4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H44 Cl Co5 N22 O4 S2 -","- C62 H44 Cl Co5 N22 O4 S2 -","- C496 H352 Cl8 Co40 N176 O32 S16 -","8","1","","Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming","Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds","Journal of the Chemical Society, Dalton Transactions","2002","","13","2670","","10.1039/b111462j","","","0.71073","MoKα","","0.0895","0.0581","","","0.1444","0.1684","","","","","","1.149","","","","has coordinates","179818","2020-10-21","18:00:00",""
"7011540","18.172","0.005","22.005","0.005","14.952","0.005","90","0","90","0","90","0","5979","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H26 Cl3.6 I0.4 N2 O2 P Rh -","- C29 H26 Cl3.569 I0.431 N2 O2 P Rh -","- C232 H208 Cl28.552 I3.448 N16 O16 P8 Rh8 -","8","1","","Pelagatti, Paolo; Bacchi, Alessia; Bobbio, Carla; Carcelli, Mauro; Costa, Mirco; Fochi, Andrea; Pelizzi, Corrado","Reactivity of Rh(i) and Rh(iii) complexes containing a PNO hydrazonic ligand toward HCl","Journal of the Chemical Society, Dalton Transactions","2002","","8","1820","","10.1039/b201174n","","","0.71069","MoKα","","0.2232","0.0422","","","0.0738","0.0967","","","","","","0.578","","","","has coordinates","179819","2020-10-21","18:00:00",""
"7011698","22.664","0.005","21.033","0.004","17.55","0.004","90","","90","","90","","8366","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H55 Cl4 Cu3 N9 O21 -","- C19 H55 Cl4 Cu3 N9 O21 -","- C152 H440 Cl32 Cu24 N72 O168 -","8","1","","Rodríguez, Montserrat; Llobet, Antoni; Corbella, Montserrat; Müller, Peter; Usón, Miguel Angel; Martell, Arthur E.; Reibenspies, Joseph","Solvent controlled nuclearity in Cu(ii) complexes linked by the CO32− ligand: synthesis, structure and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2002","","14","2900","","10.1039/b203057h","","","0.71073","MoKα","","0.0181","0.0121","","","0.0281","0.0282","","","","","","1.077","","","","has coordinates,has disorder","179820","2020-10-21","18:00:00",""
"7011756","17.675","0.0004","16.695","0.0004","23.007","0.0006","90","","90","","90","","6789","0.3","103","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31.94 H54.94 Cl0.15 N2 P2 Ti -","- C31.943 H54.943 Cl0.151 N2 P2 Ti -","- C255.544 H439.544 Cl1.208 N16 P16 Ti8 -","8","1","","Ulrich Siemeling; Lars Kölling; Anja Stammler; Hans-Georg Stammler","Ansa-di(phosphaneiminato)titanium chelates: novel isolobal analogues of ansa-titanocene derivatives","J. Chem. Soc., Dalton Trans.","2002","","17","3277","3279","10.1039/b203606c","","","0.71073","MoKα","","0.0962","0.0495","","","0.1057","0.1226","","","","","","1.011","","","","has coordinates,has disorder","179821","2020-10-21","18:00:00",""
"7011797","7.57","0.002","15.073","0.006","24.035","0.006","90","","90","","90","","2742.5","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","","Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.","Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","18","3611","","10.1039/b204179k","","","0.71073","MoKα","","0.2009","0.0705","","","0.1356","0.1839","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7011800","9.3848","0.0018","14.465","0.002","24.05","0.003","90","","90","","90","","3264.8","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 Ni P2 -","- C30 H48 N4 Ni P2 -","- C120 H192 N16 Ni4 P8 -","4","0.5","","Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.","Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","18","3611","","10.1039/b204179k","","","0.71073","MoKα","","0.117","0.0543","","","0.1198","0.1469","","","","","","1.001","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011801","9.4547","0.0008","14.3442","0.0015","24.23","0.002","90","","90","","90","","3286.1","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 P2 Pt -","- C30 H48 N4 P2 Pt -","- C120 H192 N16 P8 Pt4 -","4","0.5","","Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.","Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","18","3611","","10.1039/b204179k","","","0.71073","MoKα","","0.0609","0.0357","","","0.0897","0.1088","","","","","","1.045","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011803","9.525","0.004","14.396","0.005","24.183","0.008","90","","90","","90","","3316","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 P2 Pd -","- C30 H48 N4 P2 Pd -","- C120 H192 N16 P8 Pd4 -","4","0.5","","Kim, Yong-Joo; Joo, Young-Seon; Han, Jin-Taek; Han, Won Seok; Lee, Soon W.","Synthesis, structures and properties of bis(carbodiimido) complexes of Ni(ii), Pd(ii) and Pt(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","18","3611","","10.1039/b204179k","","","0.71073","MoKα","","0.118","0.0464","","","0.0921","0.1179","","","","","","0.99","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011813","27.3656","0.0016","24.4157","0.0014","29.9053","0.0017","90","","90","","90","","19981","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H135 F12 O9 P11 Pd12 Tl2 -","- C63 H135 F12 O9 P11 Pd12 Tl2 -","- C504 H1080 F96 O72 P88 Pd96 Tl16 -","8","1","","Ivanov, Sergei A.; Nichiporuk, Rita V.; Mednikov, Eugeny G.; Dahl, Lawrence F.","First high-nuclearity thallium‒palladium carbonyl phosphine cluster, [Tl~2~Pd~12~(CO)~9~(PEt~3~)~9~]^2+^, and its initial mistaken identity as the unknown Au~2~Pd~12~ analogue: structure-to-synthesis approach concerning its formation","Journal of the Chemical Society, Dalton Transactions","2002","","22","4116","4127","10.1039/b204276m","","","0.71073","MoKα","","0.063","0.0419","","","0.1026","0.119","","","","","","0.928","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011857","14.438","0.003","15.762","0.003","16.877","0.004","90","","90","","90","","3840.7","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[NEt4]+[2-Ph-closo-2-CB6H6]-","","- C15 H31 B6 N -","- C15 H31 B6 N -","- C120 H248 B48 N8 -","8","1","","Franken, Andreas; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Thornton-Pett, Mark; Kennedy, John D.","Monocarbaborane anion chemistry. The substantiation of the C-arylated [PhCB6H6]‒ seven-vertex closo cluster anion by single-crystal synchrotron X-ray diffraction analysis","Journal of the Chemical Society, Dalton Transactions","2002","","14","2807","","10.1039/b205016c","","","0.6883","Synchrotron","","0.0807","0.0701","","","0.1792","0.1877","","","","","","1.091","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011916","18.785","0.004","14.607","0.003","23.964","0.005","90","0.001","90","0.001","90","0.001","6576","2","121.2","","121.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H29 Li2 N3 -","- C13 H27 Li2 N3 -","- C208 H432 Li32 N48 -","16","2","","Arnold, John; Knapp, Volker; Schmidt, Joseph A. R.; Shafir, Alexandr","Reactions of N,N???,N???-trimethyl-1,4,7-triazacyclononane with butyllithium reagents","Journal of the Chemical Society, Dalton Transactions","2002","","17","3273","","10.1039/b205792c","","","0.7107","MoKα","","0.2444","0.1418","","0.1948","0.1697","0.1697","","","","","","3.653","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011938","18.149","0.002","8.365","0.001","21.169","0.003","90","","90","","90","","3213.8","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Br2 N6 O4 Zn2 -","- C28 H44 Br2 N6 O4 Zn2 -","- C112 H176 Br8 N24 O16 Zn8 -","4","0.5","","Yang, De-xi; Li, Shu-an; Li, Dong-feng; Xia, Jiang; Yu, Kai-bei; Tang, Wen-xia","Synthesis and properties of a dizinc complex of a novel macrocyclic ligand with two alcohol-pendants: a model for alkaline phosphatase","Journal of the Chemical Society, Dalton Transactions","2002","","21","4042","","10.1039/b206033g","","","0.71073","MoKα","","0.0686","0.0349","","","0.0685","0.0745","","","","","","0.848","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7011942","10.216","0.001","10.9109","0.001","23.883","0.002","90","","90","","90","","2662.1","0.4","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H34 Cu2 N4 O6 -","- C26 H34 Cu2 N4 O6 -","- C104 H136 Cu8 N16 O24 -","4","0.5","","Saha, Manas Kumar; Dey, Dilip Kumar; Samanta, Brajagopal; Edwards, Andrew J.; Clegg, William; Mitra, Samiran","Synthesis, structure and magnetic properties of a mononuclear Cu(ii) complex with a NNO donor Schiff base ligand and its oxalato- and oxamidato-bridged dinuclear complexes","Dalton Transactions","2003","","3","488","","10.1039/b206076k","","","0.71073","MoKα","","0.0832","0.0521","","","0.1104","0.1231","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011946","8.128","0.014","28.616","0.035","14.941","0.017","90","","90","","90","","3475","8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Mo N2 O6 S2 -","- C14 H12 Mo N2 O6 S2 -","- C112 H96 Mo8 N16 O48 S16 -","8","1","","Susana M. O. Quintal; Helena I. S. Nogueira; Vitor Félix; Michael G. B. Drew","Coordination modes of 2-mercaptonicotinic acid: synthesis and crystal structures of palladium(II), platinum(II), rhenium(III) and molybdenum(VI) complexes","J. Chem. Soc., Dalton Trans.","2002","","23","4479","4487","10.1039/b206101e","","","0.71073","MoKα","","0.0584","0.0441","","","0.0843","0.0909","","","","","","1.191","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011962","16.993","0.004","26.514","0.006","28.425","0.008","90","","90","","90","","12807","6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H37 Cr F6 O4 P2 -","- C30 H37 Cr F6 O4 P2 -","- C480 H592 Cr16 F96 O64 P32 -","16","2","","Christopher J. Adams; Ian M. Bartlett; Neil G. Connelly; David J. Harding; Owen D. Hayward; Antonio J. Martín; A. Guy Orpen; Michael J. Quayle; Philip H. Rieger","Redox routes to arenechromium complexes of two-, three- and four-electron alkynes; structure and bonding in paramagnetic [Cr(CO)L(η-RCCR)(η-arene)]+","J. Chem. Soc., Dalton Trans.","2002","","22","4281","4288","10.1039/b206177p","","","0.71073","MoKα","","0.1836","0.0643","","","0.1244","0.16","","","","","","0.896","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011975","19.422","0.0014","13.4406","0.001","28.171","0.002","90","","90","","90","","7353.9","0.9","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H32 As2 F6 N4 O6 Ru S2 -","- C32 H32 As2 F6 N4 O6 Ru S2 -","- C256 H256 As16 F48 N32 O48 Ru8 S16 -","8","1","","Annemarie A. La Pensée; Jamie Bickley; Simon J. Higgins; Massimo Marcaccio; Francesco Paolucci; Sergio Roffia; John M. Charnock","Syntheses, characterization and redox properties of homoleptic ruthenium(II)‒diphosphine and diarsine complexes: deviations from ligand additivity","J. Chem. Soc., Dalton Trans.","2002","","22","4095","4104","10.1039/b206234h","","","0.71073","MoKα","","0.0266","0.024","","","0.0598","0.0607","","","","","","1.082","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011981","10.662","0.005","10.095","0.005","12.002","0.005","90","0.005","90","0.005","90","0.005","1291.8","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","strontium Barium nitridomolybdate","tri (strontium/barium) nitridomolybdate (VI)","","- Ba2.13 Mo N4 Sr0.87 -","- Ba2.114 Mo N4 Sr0.886 -","- Ba16.912 Mo8 N32 Sr7.088 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)","Journal of the Chemical Society, Dalton Transactions","2002","","21","3961","3966","10.1039/b206427h","","","0.71073","MoKα","","0.0738","0.07","","","0.1726","0.1761","","","","","","1.035","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011982","10.588","0.005","9.979","0.005","11.935","0.005","90","0.005","90","0.005","90","0.005","1261","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","strontium barium nitridomolybdate","tri (strontium/barium) nitridomolybdate (VI)","","- Ba1.74 Mo N4 Sr1.26 -","- Ba1.738 Mo N4 Sr1.262 -","- Ba13.904 Mo8 N32 Sr10.096 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)","Journal of the Chemical Society, Dalton Transactions","2002","","21","3961","3966","10.1039/b206427h","","","0.71073","MoKα","","0.0285","0.0201","","","0.0403","0.0419","","","","","","0.943","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011983","10.503","0.002","9.733","0.002","11.672","0.002","90","","90","","90","","1193.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","strontium barium nitridomolybdate","tri (strontium/barium) nitridomolybdate (VI)","","- Ba0.81 Mo N4 Sr2.19 -","- Ba0.815 Mo N4 Sr2.185 -","- Ba6.52 Mo8 N32 Sr17.48 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)","Journal of the Chemical Society, Dalton Transactions","2002","","21","3961","3966","10.1039/b206427h","","","0.71073","MoKα","","0.0454","0.034","","","0.0776","0.0801","","","","","","0.983","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011984","10.702","0.005","10.132","0.005","12.036","0.005","90","0.005","90","0.005","90","0.005","1305.1","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","strontium barium nitridotungstate","tri (strontium/barium) nitridotungstate (VI)","","- Ba2.26 N4 Sr0.74 W -","- Ba2.27 N4 Sr0.73 W -","- Ba18.16 N32 Sr5.84 W8 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)","Journal of the Chemical Society, Dalton Transactions","2002","","21","3961","3966","10.1039/b206427h","","","0.71073","MoKα","","0.0432","0.0284","","","0.05","0.0522","","","","","","0.926","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7011985","10.585","0.001","9.873","0.0009","11.853","0.0011","90","","90","","90","","1238.7","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","strontium barium nitridotungstate","tri (strontium/barium) nitridotungstate (VI)","","- Ba1.4 N4 Sr1.6 W -","- Ba1.378 N4 Sr1.622 W -","- Ba11.024 N32 Sr12.976 W8 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)","Journal of the Chemical Society, Dalton Transactions","2002","","21","3961","3966","10.1039/b206427h","","","0.71073","MoKα","","0.0305","0.0255","","","0.07","0.0717","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011986","10.506","0.003","9.75","0.003","11.682","0.003","90","","90","","90","","1196.6","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","strontium barium nitridotungstate","tri (strontium/barium) nitridotungstate (VI)","","- Ba0.73 N4 Sr2.27 W -","- Ba0.739 N4 Sr2.261 W -","- Ba5.912 N32 Sr18.088 W8 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","New families of mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Sr)3[MN4] (M = Mo, W)","Journal of the Chemical Society, Dalton Transactions","2002","","21","3961","3966","10.1039/b206427h","","","0.71073","MoKα","","0.0628","0.0388","","","0.0866","0.094","","","","","","0.772","","","","has coordinates","179823","2020-10-21","18:00:00",""
"7012015","19.071","0.004","20.379","0.008","22.142","0.006","90","","90","","90","","8605","4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[{(Me3Si)3C}AL(H)(OC6H3iPr2)2Li(thf)]","","","- C38 H70 Al Li O3 Si3 -","- C36.416 H65.072 Al Li O3 Si3 -","- C291.328 H520.576 Al8 Li8 O24 Si24 -","8","1","","Avent, Anthony G.; Eaborn, Colin; Gorrell, Ian B.; Hitchcock, Peter B.; Smith, J. David","A crowded lithium diaryloxo{tris(trimethylsilyl)methyl}aluminate and a bis(triarylsiloxo){tris(trimethylsilyl)methyl}alane","Journal of the Chemical Society, Dalton Transactions","2002","","21","3971","","10.1039/b206770f","","","0.71073","MoKα","","0.138","0.0813","","","0.2071","0.2436","","","","","","1.05","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012074","19.115","0.001","40.473","0.003","13.0623","0.0009","90","","90","","90","","10105.5","1.2","213","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H73 B Cl2 Cr N11 -","- C43 H45 B Cl2 Cr N11 -","- C344 H360 B8 Cl16 Cr8 N88 -","8","1","","Sugawara, Ken-ichiro; Hikichi, Shiro; Akita, Munetaka","Di- and tri-valent chlorochromium complexes bearing hydrotris(3,5-diisopropylpyrazolyl)borato ligand (TpiPr2), TpiPr2CrCln(L) (n = 1, 2) and [TpiPr2Cr(μ-Cl)]2: flexible coordination behavior of the TpiPr2 ligand and reduction features of Cr(ii) species","Journal of the Chemical Society, Dalton Transactions","2002","","23","4514","","10.1039/b207326a","","","0.7107","MoKα","","","0.0881","","","","0.237","","","","","","1.268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012153","16.98","0.003","25.614","0.005","48.948","0.01","90","","90","","90","","21289","7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C88 H116 Cu2 N8 O12 S2 -","- C88 H116 Cu2 N8 O12 S2 -","- C704 H928 Cu16 N64 O96 S16 -","8","1","","Plieger, Paul G.; Parsons, Simon; Parkin, Andy; Tasker, Peter A.","Transport of metal salts; encapsulation of anions in dinuclear Cu(ii) complexes [Cu2L2SO4]SO4 and [Cu2L2BF4](BF4)3, where L = 2,2???-[1,6-hexanediylbis[(methylimino)methylene]]bis[4-tert-butyl-6-(phenylazomethinyl)phenol]","Journal of the Chemical Society, Dalton Transactions","2002","","21","3928","","10.1039/b208062a","","","0.71073","MoKα","","0.159","0.1024","","","0.2916","0.3198","","","","","","1.008","","","","has coordinates,has disorder","179825","2020-10-21","18:00:00",""
"7012164","15.986","0.001","17.119","0.001","17.981","0.001","90","","90","","90","","4920.8","0.5","298.2","","298.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O12 Os4 -","- C15 H15 N O12 Os4 -","- C120 H120 N8 O96 Os32 -","8","1","","Li, Yat; Wong, Wing-Tak","Tetraosmium carbonyl clusters containing µ-NH2 amido ligands: syntheses, crystal structures and reactivities","Dalton Transactions","2003","","3","398","","10.1039/b208321c","","","0.7107","MoKα","","","0.0583","","","","0.0514","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012184","19.3167","0.0013","14.394","0.0011","29.844","0.002","90","","90","","90","","8298","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 N6 O3 -","- C41.997 H59.991 N6 O3 -","- C335.976 H479.928 N48 O24 -","8","1","","Guzei, Ilia A.; Li, Kelin; Bikzhanova, Galina A.; Darkwa, James; Mapolie, Selwyn F.","Benzenedicarbonyl and benzenetricarbonyl linker pyrazolyl complexes of palladium(II): synthesis, X-ray structures and evaluation as ethylene polymerisation catalysts","Dalton Transactions","2003","","4","715","722","10.1039/b208376k","","","0.71073","MoKα","","0.0878","0.0657","","","0.193","0.2078","","","","","","0.995","","","","has coordinates,has disorder","205782","2020-10-21","18:00:00",""
"7012207","15.322","0.002","14.112","0.005","16.893","0.003","90","","90","","90","","3652.7","1.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H21 B10 I Mo N2 O2 -","- C8 H21 B10 I Mo N2 O2 -","- C64 H168 B80 I8 Mo8 N16 O16 -","8","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and reactivity of icosahedral molybdenum-monocarbaborane complexes containing one or two intramolecular amino bridgesThe new compounds described herein are based upon closo-1-carba-2-molybdenadodecaborane fragments, and all bear boron-bound exopolyhedral substituents. It should be noted that, although they contain chiral centres, species here occur as racemates. Substitued boron atoms at positions 3, 7, 11 or 6 could equally be labeled 6, 11, 7 and 3, respectively. In each case the former is used, in accordance with IUPAC convention.","Dalton Transactions","2003","","1","46","","10.1039/b208584b","","","0.71073","MoKα","","0.1079","0.0546","","","0.0998","0.1177","","","","","","1.048","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012219","12.9383","0.0015","10.3076","0.0019","29.874","0.003","90","","90","","90","","3984.1","1","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(Diisopropylamino) perfluorophenyl phosphine","bis(Diisopropylamino) pentafluorophenyl phosphine","","- C18 H28 F5 N2 P -","- C18 H28 F5 N2 P -","- C144 H224 F40 N16 P8 -","8","1","","Dyer, Philip W.; Fawcett, John; Hanton, Martin J.; Kemmitt, Raymond D. W.; Padda, Ranbir; Singh, Narendra","Exploring the coordination chemistry and reactivity of dialkylamino- and bis(dialkylamino)-phosphines in the coordination sphere of metals","Dalton Transactions","2003","","1","104","","10.1039/b208886j","","","0.71073","MoKα","","0.0481","0.0316","","","0.0618","0.0668","","","","","","0.899","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012243","15.5597","0.0005","11.7148","0.0003","30.3296","0.0011","90","","90","","90","","5528.4","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","01sw046","","","- C24 H36 Br N3 O Pd Si -","- C24 H36 Br N3 O Pd Si -","- C192 H288 Br8 N24 O8 Pd8 Si8 -","8","1","","Tulloch, Arran A. D.; Winston, Scott; Danopoulos, Andreas A.; Eastham, Graham; Hursthouse, Michael B.","Functionalised and chelate heterocyclic carbene complexes of palladium; synthesis and structural studiesElectronic supplementary information (ESI) available: crystallographic data and ORTEP plots for complexes 4, 7, 8 and 13. See http://www.rsc.org/suppdata/dt/b2/b209231j/","Dalton Transactions","2003","","4","699","","10.1039/b209231j","","","0.71073","MoKα","","0.1127","0.0927","","","0.277","0.2999","","","","","","1.093","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012253","13.6655","0.0012","22.307","0.002","22.333","0.002","90","","90","","90","","6807.9","1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 Cl6 N2 P2 Pd -","- C30 H30 Cl6 N2 P2 Pd -","- C240 H240 Cl48 N16 P16 Pd8 -","8","1","","Alajarín, Mateo; López-Leonardo, Carmen; Llamas-Lorente, Pilar; Bautista, Delia; Jones, Peter G.","Synthesis and molecular structure of a new class of bi- and ter-dentate palladium complexes with iminophosphorane containing ligandsElectronic supplementary information (ESI) available: ligand synthesis details. See http://www.rsc.org/suppdata/dt/b2/b209242e/","Dalton Transactions","2003","","3","426","","10.1039/b209242e","","","0.71073","MoKα","","0.0852","0.0378","","0.0585","0.051","","","","0.835","0.959","0.959","","","","","has coordinates","179826","2020-10-21","18:00:00",""
"7012261","9.4779","0.0008","9.8471","0.0008","21.152","0.002","90","","90","","90","","1974.1","0.3","153","","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Bi O2 S2 -","- C6 H13 Bi O2 S2 -","- C48 H104 Bi8 O16 S16 -","8","1","","Andrews, Philip C.; Deacon, Glen B.; Jackson, W. Roy; Maguire, Melissa; Scott, Natalie M.; Skelton, Brian W.; White, Allan H.","Solvent-free synthesis of bismuth thiolates and carboxylates","Journal of the Chemical Society, Dalton Transactions","2002","","24","4634","","10.1039/b209347b","","","0.71073","MoKα","","0.077","0.033","","0.037","","0.031","","","0.964","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7012265","19.1126","0.0004","13.1361","0.0002","19.5217","0.0004","90","","90","","90","","4901.22","0.16","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Sc(N2_TMS_Npy)Cl(THF)]","","- C19 H37 Cl N3 O Sc Si2 -","- C19 H37 Cl N3 O Sc Si2 -","- C152 H296 Cl8 N24 O8 Sc8 Si16 -","8","1","","Benjamin D. Ward; Stuart R. Dubberley; Aline Maisse-François; Lutz H. Gade; Philip Mountford","Scandium chloride, alkyl and phenyl complexes of diamido-donor ligands","J. Chem. Soc., Dalton Trans.","2002","","24","4649","4657","10.1039/b209382k","","","0.71073","MoKα","","","0.0341","","","","0.0246","","","","","","1.0645","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7012325","6.7317","0.0002","15.2528","0.0003","25.9327","0.0005","90","","90","","90","","2662.7","0.11","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 Cl2 O2 Te -","- C10 H14 Cl2 O2 Te -","- C80 H112 Cl16 O16 Te8 -","8","1","","Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori","Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]","Dalton Transactions","2003","","5","973","","10.1039/b210033a","","","0.7107","MoKα","","","0.02","","","","0.071","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012326","7.0124","0.0004","15.1295","0.0005","26.187","0.001","90","","90","","90","","2778.3","0.2","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H16 Cl2 O2 Te -","- C11 H16 Cl2 O2 Te -","- C88 H128 Cl16 O16 Te8 -","8","1","","Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori","Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]","Dalton Transactions","2003","","5","973","","10.1039/b210033a","","","0.7107","MoKα","","","0.024","","","","0.108","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012327","8.552","0.0001","13.6294","0.0002","21.2777","0.0003","90","","90","","90","","2480.1","0.06","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Br2 O2 Te -","- C9 H12 Br2 O2 Te -","- C72 H96 Br16 O16 Te8 -","8","1","","Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori","Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]","Dalton Transactions","2003","","5","973","","10.1039/b210033a","","","0.7107","MoKα","","","0.023","","","","0.04","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012328","8.3486","0.0001","13.6876","0.0002","20.6906","0.0003","90","","90","","90","","2364.36","0.06","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl2 O2 Te -","- C9 H12 Cl2 O2 Te -","- C72 H96 Cl16 O16 Te8 -","8","1","","Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori","Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]","Dalton Transactions","2003","","5","973","","10.1039/b210033a","","","0.7107","MoKα","","","0.023","","","","0.087","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012329","6.8905","0.0002","15.5279","0.0008","26.0281","0.0007","90","","90","","90","","2784.88","0.18","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 Br2 O2 Te -","- C10 H14 Br2 O2 Te -","- C80 H112 Br16 O16 Te8 -","8","1","","Asahara, Masahiro; Taomoto, Shoichiro; Tanaka, Masahito; Erabi, Tatsuo; Wada, Masanori","Dependence of the rotational barrier of the Ar-group in RArTeX2 on the R-group [Ar = 2,6-(MeO)2C6H3; R = Me, Et, i-Pr; X = Cl, Br, I]","Dalton Transactions","2003","","5","973","","10.1039/b210033a","","","0.7107","MoKα","","","0.034","","","","0.132","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012365","21.209","0.002","13.4224","0.001","24.8","0.002","90","","90","","90","","7060","1","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","chloro-methylcyanide-(1,4,7,10,13-pentaoxacyclopentadecane)scandium(III) bis(hexachloroantimony(V)) methylcyanide solvate","","- C14 H26 Cl13 N2 O5 Sb2 Sc -","- C14 H20 Cl13 N2 O5 Sb2 Sc -","- C112 H160 Cl104 N16 O40 Sb16 Sc8 -","8","1","","Brown, Michael D.; Levason, William; Murray, David C.; Popham, Michael C.; Reid, Gillian; Webster, Michael","Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers","Dalton Transactions","2003","","5","857","","10.1039/b210458j","","","0.71073","MoKα","","0.0981","0.0423","","","0.0725","0.0857","","","","","","0.952","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012369","16.4177","0.0014","10.4738","0.0014","20.9191","0.0011","90","","90","","90","","3597.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Fe N4 -","- C22 H18 Fe N4 -","- C176 H144 Fe8 N32 -","8","1","","Gibson, Vernon C.; Halliwell, Catherine M.; Long, Nicholas J.; Oxford, Philip J.; Smith, Andrew M.; White, Andrew J. P.; Williams, David J.","Synthetic, spectroscopic and olefin oligomerisation studies on nickel and palladium complexes containing ferrocene substituted nitrogen donor ligands","Dalton Transactions","2003","","5","918","","10.1039/b210463f","","","0.71073","MoKα","","0.0763","0.0406","","0.1108","0.0827","","","","1.019","1.085","1.085","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012413","7.94","0.003","15.503","0.002","31.611","0.004","90","","90","","90","","3891.1","1.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H20 Cl2 Hg N2 O9 S2 -","- C10 H17 Cl2 Hg N2 O9 S2 -","- C80 H136 Cl16 Hg8 N16 O72 S16 -","8","1","","Caltagirone, Claudia; Bencini, Andrea; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Mariani, Palma; Papke, Ulrich; Tei, Lorenzo; Verani, Gaetano","Redox chemosensors: coordination chemistry towards CuII, ZnII, CdII, HgII, and PbII of 1-aza-4,10-dithia-7-oxacyclododecane ([12]aneNS2O) and its N-ferrocenylmethyl derivativeElectronic supplementary information (ESI) available: synthetic details including analytical and spectroscopic data for the isolated complexes. Ortep views of the coordination sphere around the metal centres in 1, 2 and 5. See http://www.rsc.org/suppdata/dt/b2/b210806m/","Dalton Transactions","2003","","5","901","","10.1039/b210806m","","","0.71073","MoKα","","0.1542","0.0415","","","0.0982","0.1246","","","","","","0.968","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012433","15.34","0.02","19.998","0.007","21.537","0.012","90","","90","","90","","6607","10","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H35 F12 N5 O2 P2 Zn -","- C28 H35 F12 N5 O2 P2 Zn -","- C224 H280 F96 N40 O16 P16 Zn8 -","8","1","","Atkins, Andrew J.; Black, Daniel; Finn, Rachel L.; Marin-Becerra, Armando; Blake, Alexander J.; Ruiz-Ramirez, Lena; Li, Wan-Sheung; Schröder, Martin","Synthesis and structure of mononuclear and binuclear zinc(ii) compartmental macrocyclic complexes","Dalton Transactions","2003","","9","1730","","10.1039/b210936k","","","0.71073","MoKα","","0.0938","0.0709","","","0.155","0.177","","","","","","1.16","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7012458","19.204","0.004","19.464","0.006","21.771","0.004","90","","90","","90","","8138","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H68 As Li N2 O P4 -","- C34 H68 As Li N2 O P4 -","- C272 H544 As8 Li8 N16 O8 P32 -","8","1","","Bashall, Alan; García, Felipe; Hopkins, Alexander A.; Wood, Jody A.; McPartlin, Mary; Woods, Anthony D.; Wright, Dominic S.","Reactions of metallated cyclohexyl phosphine (CyPHM) with As(NMe2)3; synthesis of [(CyP)4As]‒ anions (M = Li or Na, Cy = cyclohexyl)","Dalton Transactions","2003","","6","1143","","10.1039/b211037g","","","0.71073","MoKα","","0.2643","0.0822","","","0.1127","0.1438","","","","","","0.835","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012465","10.441","0.002","9.967","0.002","11.938","0.003","90","","90","","90","","1242.3","0.5","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Tri(barium,calcium) tetranitridomolybdate (VI)","Tri(barium,calcium) tetranitridomolybdate (VI)","","- Ba2.23 Ca0.77 Mo N4 -","- Ba2.227 Ca0.773 Mo N4 -","- Ba17.816 Ca6.184 Mo8 N32 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)","Dalton Transactions","2003","","6","1065","1069","10.1039/b211138a","","","0.71073","MoKα","","0.0529","0.037","","","0.085","0.0881","","","","","","0.961","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012466","10.271","0.005","9.595","0.005","11.721","0.005","90","","90","","90","","1155.1","1","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Tri (barium, calcium) tetranitridomolybdate (VI)","Tri (barium, calcium) tetranitridomolybdate (VI)","","- Ba1.52 Ca1.48 Mo N4 -","- Ba1.523 Ca1.477 Mo N4 -","- Ba12.184 Ca11.816 Mo8 N32 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)","Dalton Transactions","2003","","6","1065","1069","10.1039/b211138a","","","0.71073","MoKα","","0.0296","0.0262","","","0.0658","0.0672","","","","","","0.984","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012467","10.3049","0.001","9.5822","0.0009","11.7405","0.0011","90","","90","","90","","1159.3","0.19","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- Ba1.44 Ca1.56 N4 W -","- Ba1.436 Ca1.564 N4 W -","- Ba11.488 Ca12.512 N32 W8 -","8","1","","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.; Wilson, Claire; Gregory, Duncan H.","Synthesis and structure of new mixed alkaline-earth nitridomolybdates and nitridotungstates, (Ba,Ca)3[MN4] (M = Mo, W)","Dalton Transactions","2003","","6","1065","1069","10.1039/b211138a","","","0.71073","MoKα","","0.0485","0.0357","","","0.0788","0.0822","","","","","","0.94","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012549","12.5473","0.0011","12.6869","0.0011","17.0809","0.0016","90","","90","","90","","2719","0.4","393","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(1,2,3,4,5-pentamethyl cyclopentadienyl)(dioxo)tungsten(buta- 1,3-diynyl)","","","- C14 H16 O2 W -","- C14 H16 O2 W -","- C112 H128 O16 W8 -","8","1","","Roberts, Rachel L.; Puschmann, Horst; Howard, Judith A. K.; Yamamoto, John H.; Carty, Arthur J.; Low, Paul J.","Synthesis and structure of a series of tungsten(ii) and tungsten(vi) diynyl and diyndiyl complexes","Dalton Transactions","2003","","6","1099","","10.1039/b212074g","","","0.71073","MoKα","","0.0273","0.0212","","","0.058","0.065","","","","","","1.103","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012550","12.6091","0.0005","12.1041","0.0004","15.4689","0.0006","90","","90","","90","","2360.89","0.15","273","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis((1,2,3,4,5-pentamethyl cyclopentadienyl)(dioxo)tungsten) buta-1,3-diyn-1,4-diyl","","","- C24 H30 O4 W2 -","- C24 H30 O4 W2 -","- C96 H120 O16 W8 -","4","0.5","","Roberts, Rachel L.; Puschmann, Horst; Howard, Judith A. K.; Yamamoto, John H.; Carty, Arthur J.; Low, Paul J.","Synthesis and structure of a series of tungsten(ii) and tungsten(vi) diynyl and diyndiyl complexes","Dalton Transactions","2003","","6","1099","","10.1039/b212074g","","","0.71073","MoKα","","0.032","0.0249","","","0.0586","0.0624","","","","","","1.105","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012569","13.4567","0.0009","11.788","0.001","24.308","0.002","90","","90","","90","","3855.9","0.5","193","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H27 Ga I2 Si3 -","- C10 H27 Ga I2 Si3 -","- C80 H216 Ga8 I16 Si24 -","8","1","","Uhl, Werner; El-Hamdan, Abdelhakim; Prött, Malte; Spuhler, Philipp; Frenking, Gernot","Ga2I2[C(SiMe3)3]2 ‒ an organogallium(ii) halide containing a Ga‒Ga single bond","Dalton Transactions","2003","","7","1360","","10.1039/b212144c","","","0.71073","MoKα","","0.0548","0.0441","","","0.1195","0.1292","","","","","","0.929","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7012622","15.136","0.005","17.392","0.005","20.248","0.005","90","0.005","90","0.005","90","0.005","5330","3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H29 F6 N O2 P2 Pd -","- C23 H29 F6 N O2 P2 Pd -","- C184 H232 F48 N8 O16 P16 Pd8 -","8","1","","Braunstein, Pierre; Zhang, Jing; Welter, Richard","Monohapto-allyl Pd(ii) complexes with bidentate hybrid P,N ligandsElectronic supplementary information (ESI) available: preparations and selected spectroscopic data for 1 and 4‒6. See http://www.rsc.org/suppdata/dt/b2/b212393m/","Dalton Transactions","2003","","4","507","","10.1039/b212393m","","","0.71069","MoKα","","0.0663","0.0393","","","0.1058","0.117","","","","","","0.942","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012684","7.5788","0.0015","18.8","0.004","21.479","0.004","90","","90","","90","","3060.4","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H6 F6 Hg N2 S2 -","- C12 H6 F6 Hg N2 S2 -","- C96 H48 F48 Hg8 N16 S16 -","8","1","","Sousa-Pedrares, Antonio; Romero, Jaime; Arturo García-Vázquez, José; Luz Durán, María; Casanova, Isabel; Sousa, Antonio","Electrochemical synthesis and structural characterisation of zinc, cadmium and mercury complexes of heterocyclic bidentate ligands (N, S)","Dalton Transactions","2003","","7","1379","1388","10.1039/b300133b","","","0.71073","MoKα","","0.0691","0.0284","","","0.0567","0.0695","","","","","","1.043","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012802","12.489","0.001","19.234","0.001","21.543","0.002","90","","90","","90","","5174.9","0.7","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Bi Cl N2 O P2 S -","- C23 H28 Bi Cl N2 O P2 S -","- C184 H224 Bi8 Cl8 N16 O8 P16 S8 -","8","1","","Balazs, Lucia; Stanga, Olimpiu; Breunig, Hans J.; Silvestru, Cristian","Hypervalent 5?Bi?12 derivatives containing dichalcogenoimidodiphosphinato ligands. Crystal structure and solution behaviour of [2-(Me2NCH2)C6H4]BiCl[(XPR2)(YPR?2)N] (X, Y = O, S, Se; R, R? = Me, Ph)","Dalton Transactions","2003","","11","2237","","10.1039/b301290e","","","0.71073","MoKα","","0.1277","0.0503","","","0.0771","0.0954","","","","","","1.001","","","","has coordinates","179832","2020-10-21","18:00:00",""
"7012813","21.963","0.0002","17.7423","0.0002","15.577","0.0001","90","","90","","90","","6069.95","0.1","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H39 N P2 Pt2 S -","- C30 H39 N P2 Pt2 S -","- C240 H312 N8 P16 Pt16 S8 -","8","1","","Jamali, Sirous; Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.","A comparison of binuclear dimethylplatinum(ii) complexes with the bridging ligands X(PPh2)2, X = CH2 or NH","Dalton Transactions","2003","","11","2313","","10.1039/b301419c","","","0.71073","MoKα","","0.0715","0.0415","","","0.0887","0.0977","","","","","","0.994","","","","has coordinates","179832","2020-10-21","18:00:00",""
"7012841","18.893","0.006","25.288","0.003","16.688","0.002","90","","90","","90","","7973","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","cis-[Co(dtc)~2~(P(OMe)Ph~2~)~2~]PF~6~","cis-Bis(N,N-dimethyldithiocarbamato)bis(methyl diphenylphosphinite)cobalt(III) Hexafluorophosphate","","- C32 H38 Co F6 N2 O2 P3 S4 -","- C32 H38 Co F6 N2 O2 P3 S4 -","- C256 H304 Co8 F48 N16 O16 P24 S32 -","8","1","","Iwatsuki, Satoshi; Kashiwamura, Shinsaku; Kashiwabara, Kazuo; Suzuki, Takayoshi; Takagi, Hideo D.","Syntheses, crystal structures and isomerization kinetics of a series of [Co(dtc)2{P(OMe)3�?�nPhn}2]+ (n = 0?2) complexes (dtc? = N,N-dimethyldithiocarbamate): role of ?-donicity, ?-acidity, and cone angle of the P-ligands in the trans influence and trans effectElectronic supplementary information (ESI) available: bond lengths and angles for all of the trans- and cis-complexes are summarized in Table S1?S6. The structures of the trans-isomers with different orientations and conformations of the OMe and Ph substituents on the P atoms are shown in Figs. S1?S3. See http://www.rsc.org/suppdata/dt/b3/b301712e/","Dalton Transactions","2003","","11","2280","","10.1039/b301712e","","","0.71069","MoKα","","0.2147","0.0467","","","0.1216","0.1606","","","","","","0.987","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012888","7.8939","0.0014","17.745","0.003","22.938","0.004","90","","90","","90","","3213.1","1","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethynyl-bis(diisopropylamino)borane","","","- C14 H29 B N2 -","- C14 H29 B N2 -","- C112 H232 B8 N16 -","8","1","","Jörg Haberecht; Anja Krummland; Frank Breher; Björn Gebhardt; Heinz Rüegger; Reinhard Nesper; Hansjörg Grützmacher","Functionalized borazines as precursors for new silica gels","Dalton Trans.","2003","","11","2126","2132","10.1039/b302275g","","","0.71073","MoKα","","0.0802","0.0453","","","0.0992","0.1113","","","","","","0.953","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012897","11.215","0.002","22.814","0.003","31.409","0.004","90","","90","","90","","8036","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(RuCl2(PPh3)2(kappa2-N,N-apy)).CHCl3, compound (12)","","","- C42 H37 Cl5 N2 P2 Ru -","- C41 H36 Cl2 N2 P2 Ru -","- C328 H288 Cl16 N16 P16 Ru8 -","8","1","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Some binding modes of 2-aminopyridine to ruthenium(ii) fragments","Dalton Transactions","2003","","11","2329","","10.1039/b302416d","","","0.71073","MoKα","","0.1104","0.0547","","","0.1137","0.1316","","","","","","0.971","","","","has coordinates","179832","2020-10-21","18:00:00",""
"7012904","18.899","0.004","11.025","0.002","24.751","0.005","90","","90","","90","","5157.2","1.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H28 F6 N6 O P Rh -","- C23 H28 F6 N6 O P Rh -","- C184 H224 F48 N48 O8 P8 Rh8 -","8","1","","Adams, Christopher J.; Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Manson, Tania; Guy Orpen, A.; Rieger, Philip H.","The substitution chemistry of the tris(3,5-dimethylpyrazolyl)methanerhodium complex [Rh(CO)2{HC(pz?)3}]+","Dalton Transactions","2003","","14","2835","","10.1039/b302440g","","","0.71073","MoKα","","0.139","0.062","","","0.1391","0.1802","","","","","","1.078","","","","has coordinates,has disorder","179833","2020-10-21","18:00:00",""
"7012968","8.1768","0.0019","13.524","0.002","37.608","0.006","90","","90","","90","","4158.8","1.3","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H30 Cl2 Fe N2 -","- C19 H30 Cl2 Fe N2 -","- C152 H240 Cl16 Fe8 N16 -","8","1","","Gibson, Vernon C.; O'Reilly, Rachel K.; Wass, Duncan F.; White, Andrew J. P.; Williams, David J.","Iron complexes bearing iminopyridine and aminopyridine ligands as catalysts for atom transfer radical polymerisation","Dalton Transactions","2003","","14","2824","","10.1039/b303094f","","","0.71073","MoKα","","0.1229","0.0522","","","0.0931","0.1106","","","","","","0.953","","","","has coordinates","179833","2020-10-21","18:00:00",""
"7013092","17.3118","0.0004","17.9529","0.0005","26.2415","0.0005","90","","90","","90","","8155.8","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H39 Cl9 N6 Ru -","- C25 H39 Cl9 N6 Ru -","- C200 H312 Cl72 N48 Ru8 -","8","1","","Daniel Dönnecke; Wolfgang Imhof","The formation of cis- and trans-[Ru(CN)2(CNtBu)4] by reductive cleavage of isocyanide ligands; isomer separation by supramolecular interactions with various solvents","Dalton Trans.","2003","","13","2737","2744","10.1039/b304199a","","","0.71073","MoKα","","0.1528","0.0618","","0.209","0.1527","","","","1.042","1.239","1.239","","","","","has coordinates,has disorder","179834","2020-10-21","18:00:00",""
"7013093","16.909","0.003","18.285","0.004","22.197","0.004","90","","90","","90","","6863","2","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H37 Cl3 N6 O2 Ru -","- C23 H37 Cl3 N6 O2 Ru -","- C184 H296 Cl24 N48 O16 Ru8 -","8","1","","Daniel Dönnecke; Wolfgang Imhof","The formation of cis- and trans-[Ru(CN)2(CNtBu)4] by reductive cleavage of isocyanide ligands; isomer separation by supramolecular interactions with various solvents","Dalton Trans.","2003","","13","2737","2744","10.1039/b304199a","","","0.71073","MoKα","","0.1528","0.0547","","0.1206","0.0927","","","","0.973","1.125","1.125","","","","","has coordinates,has disorder","179834","2020-10-21","18:00:00",""
"7013139","13.585","0.005","15.898","0.006","30.27","0.01","90","","90","","90","","6538","4","173.1","","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H21.5 Cl F6 N6.5 O2 P Ru -","- C30 H17 Cl F6 N6.5 O2 P Ru -","- C240 H136 Cl8 F48 N52 O16 P8 Ru8 -","8","1","","Fujihara, Tetsuaki; Okamura, Rei; Wada, Tohru; Tanaka, Koji","Coordination ability of 1,10-phenanthroline-5,6-dione: syntheses and redox behavior of a Ru(ii) complex with an o-quinoid moiety and of bridged Ru(ii)?M(ii) complexes (M = Pd, Pt)","Dalton Transactions","2003","","16","3221","","10.1039/b304912d","","","0.7107","MoKα","","","0.0781","","","","0.1901","","","","","","1.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013199","10.9906","0.0007","16.3898","0.001","20.4387","0.0012","90","","90","","90","","3681.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Cl2 N3 O2 Zn -","- C15 H23 Cl2 N3 O2 Zn -","- C120 H184 Cl16 N24 O16 Zn8 -","8","1","","Juan C. Mareque Rivas; Emiliano Salvagni; Rafael Torres Martín de Rosales; Simon Parsons","Internal hydrogen bonding in tetrahedral and trigonal bipyramidal zinc(II) complexes of pyridine-based ligands","Dalton Trans.","2003","","17","3339","3349","10.1039/b305476b","","","0.71073","MoKα","","0.0691","0.0581","","","0.1141","0.1183","","","","","","1.218","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013428","13.1596","0.0007","11.8563","0.0005","19.657","0.002","90","","90","","90","","3067","0.4","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H19 Cl3 Ga N Si2 -","- C6 H19 Cl3 Ga N Si2 -","- C48 H152 Cl24 Ga8 N8 Si16 -","8","1","","Carmalt, Claire J.; Mileham, John D.; White, Andrew J. P.; Williams, David J.","Reactivity of GaX3 with silylamines and thermal decomposition of the compounds [Cl2Ga{NH(SiMe3)}]2 and [Cl3Ga{NH(SiMe3)2}]","Dalton Transactions","2003","","22","4255","","10.1039/b307763m","","","1.54178","CuKα","","0.0715","0.0537","","","0.1322","0.1413","","","","","","1.016","","","","has coordinates,has disorder","179838","2020-10-21","18:00:00",""
"7013452","13.325","0.003","14.218","0.003","25.334","0.005","90","","90","","90","","4799.6","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Cl4 N3 Pd -","- C20 H29 Cl4 N3 Pd -","- C160 H232 Cl32 N24 Pd8 -","8","1","","Morten Frøseth; Ajaib Dhindsa; Hilde Røise; Mats Tilset","Synthesis and characterization of palladium(II) complexes with a novel chelating iminocarbene ligand","Dalton Trans.","2003","","23","4516","4524","10.1039/b308275j","","","0.71073","MoKα","","0.0978","0.0538","","0.1568","0.1228","","","","1.197","1.15","1.15","","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7013511","15.431","0.002","18.055","0.003","22.931","0.004","90","","90","","90","","6388.7","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N3 Ni O6 P2 S2 -","- C31 H27 N3 Ni O6 P2 S2 -","- C248 H216 N24 Ni8 O48 P16 S16 -","8","1","","Gan, Xin-min; Duesler, Eileen N.; Parveen, Sahrah; Paine, Robert T.","Synthesis of trifunctional ligands containing thiophosphoryl, pyridine and pyridine N-oxide donor groups","Dalton Transactions","2003","","24","4704","","10.1039/b309336k","","","0.71073","MoKα","","0.1026","0.0508","","","0.089","0.1044","","","","","","0.99","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013557","19.765","0.002","6.1688","0.0008","24.757","0.003","90","","90","","90","","3018.5","0.6","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ph2N-NH3][Au(CN)2]*H2O","","","- C14 H15 Au N4 O -","- C14 H15 Au N4 O -","- C112 H120 Au8 N32 O8 -","8","1","","Stender, Matthias; Olmstead, Marilyn M.; Balch, Alan L.; Rios, Daniel; Attar, Saeed","Cation and hydrogen bonding effects on the self-association and luminescence of the dicyanoaurate ion, [Au(CN)2]?","Dalton Transactions","2003","","22","4282","","10.1039/b310085e","","","0.71073","MoKα","","0.0472","0.0237","","","0.046","0.0539","","","","","","1.019","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013558","15.849","0.0017","6.1415","0.0007","19.742","0.002","90","","90","","90","","1921.6","0.4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[C5H10NH2][Au(CN)2]","","","- C7 H12 Au N3 -","- C7 H12 Au N3 -","- C56 H96 Au8 N24 -","8","1","","Stender, Matthias; Olmstead, Marilyn M.; Balch, Alan L.; Rios, Daniel; Attar, Saeed","Cation and hydrogen bonding effects on the self-association and luminescence of the dicyanoaurate ion, [Au(CN)2]?","Dalton Transactions","2003","","22","4282","","10.1039/b310085e","","","0.71073","MoKα","","0.0221","0.0173","","","0.0361","0.0372","","","","","","1.074","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013642","20.257","0.004","10.05","0.002","21.792","0.004","90","","90","","90","","4436.5","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl2 Mn N4 O11.5 -","- C14 H14 Cl2 Mn N4 O11.5 -","- C112 H112 Cl16 Mn8 N32 O92 -","8","1","","Armentano, Donatella; de Munno, Giovanni; Guerra, Francesca; Faus, Juan; Lloret, Francesc; Julve, Miguel","2,2?-Bipyrimidine- and 2,3-bis(2-pyridyl)pyrazine-containing manganese(ii) compounds: structural and magnetic properties","Dalton Transactions","2003","","24","4626","","10.1039/b311007a","","","0.71073","MoKα","","0.1958","0.0842","","","0.1536","0.1681","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013713","14.4256","0.0022","15.3904","0.0023","16.1714","0.0024","90","","90","","90","","3590.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-butylpiperazin-1-yl)-propylamine-nickel(II)-diperchlorate","","- C10 H24 Cl2 N4 Ni O8 -","- C10 H24 Cl2 N4 Ni O8 -","- C80 H192 Cl16 N32 Ni8 O64 -","8","1","","Boiocchi, Massimo; Bonizzoni, Marco; Fabbrizzi, Luigi; Foti, Francesco; Licchelli, Maurizio; Taglietti, Angelo; Zema, Michele","The influence of the boat-to-chair conversion on the demetallation of the nickel(II) complex of an open-chain tetramine containing a piperazine fragment.","Dalton transactions (Cambridge, England : 2003)","2004","","4","653","658","10.1039/b312980b","","","0.71073","MoKα","","0.0797","0.0643","","","0.1721","0.185","","","","","","1.04","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013740","21.3406","0.0012","19.9743","0.0012","26.1887","0.0015","90","","90","","90","","11163.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H56 B2 Co N10 -","- C66 H56 B2 Co N10 -","- C528 H448 B16 Co8 N80 -","8","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0743","0.0412","","","0.1131","0.1345","","","","","","1.01","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013758","15.6932","0.0008","17.8896","0.0006","22.504","0.0012","90","","90","","90","","6317.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H43 Ce N2 Si3 -","- C28 H30 Ce N2 Si3 -","- C224 H240 Ce8 N16 Si24 -","8","1","","Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.","Dalton transactions (Cambridge, England : 2003)","2004","","4","579","590","10.1039/b313992a","","","0.71073","MoKα","","0.0788","0.0418","","","0.0871","0.1005","","","","","","1.014","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013789","8.5628","0.0002","14.8659","0.0003","11.6451","0.0002","90","","90","","90","","1482.35","0.05","173","2","173","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C7 H13 N3 -","- C7 H13 N3 -","- C56 H104 N24 -","8","1","","Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.","Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.","Dalton transactions (Cambridge, England : 2003)","2004","","4","537","546","10.1039/b314707j","","x-ray","0.71073","MoKα","","0.0548","0.0491","","","0.1309","0.136","","","","","","1.046","","","","has coordinates,has disorder","179841","2020-10-21","18:00:00",""
"7013884","18.949","0.006","18.153","0.004","17.641","0.003","90","","90","","90","","6068","3","23","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H52 O P3 Rh -","- C25 H52 O P3 Rh -","- C200 H416 O8 P24 Rh8 -","8","1","","Nishihara, Yasushi; Nara, Kyoko; Nishide, Yasuhiro; Osakada, Kohtaro","Cationic Rh complexes with novel spiro tetraarylpentaborate anions prepared from arylboronic acids and aryloxorhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1366","1375","10.1039/b315902g","","","0.7107","MoKα","","","0.038","","","","0.051","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013910","13.523","0.003","17.092","0.003","18.23","0.004","90","","90","","90","","4213.6","1.5","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Manganese(ii)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2- pyridylmethyl) aminomethyl)-4-bromophenolat)","Manganese(II)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2-pyridylmethyl) aminomethyl)-4-bromophenolat)","","- C19 H18 Br3 Mn N3 O -","- C19 H18 Br3 Mn N3 O -","- C152 H144 Br24 Mn8 N24 O8 -","8","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","0.71073","MoKα","","0.1201","0.0672","","","0.134","0.1669","","","","","","1.059","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013989","16.1399","0.0002","21.9996","0.0002","23.6745","0.0003","90","","90","","90","","8406.14","0.17","173","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Cr4 N3 O18 S3 -","- C31 H14 Cl2 Cr4 N3 O18 S3 -","- C248 H112 Cl16 Cr32 N24 O144 S24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0659","0.0354","","","0.0692","0.0778","","","","","","1.02","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013990","16.268","0.0002","22.3369","0.0002","24.0479","0.0003","90","","90","","90","","8738.45","0.17","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Cr N3 O18 S3 W3 -","- C31 H14 Cl2 Cr N3 O18 S3 W3 -","- C248 H112 Cl16 Cr8 N24 O144 S24 W24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0308","0.0214","","","0.0425","0.0444","","","","","","1.112","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013991","16.2281","0.0002","22.0656","0.0003","23.7133","0.0004","90","","90","","90","","8491.3","0.2","203","2","203","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Cr3 Fe N3 O18 S3 -","- C31 H14 Cl2 Cr3 Fe N3 O18 S3 -","- C248 H112 Cl16 Cr24 Fe8 N24 O144 S24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.1096","0.0568","","","0.1161","0.1354","","","","","","1.033","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013994","18.4809","0.0002","21.0681","0.0002","21.8035","0.0003","90","","90","","90","","8489.36","0.17","173","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H14 Cl2 Co Cr3 N3 O18 S3 -","- C31 H14 Cl2 Co Cr3 N3 O18 S3 -","- C248 H112 Cl16 Co8 Cr24 N24 O144 S24 -","8","1","","Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.","Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1173","1180","10.1039/b316998g","","","0.71073","MoKα","","0.0751","0.0504","","","0.122","0.1331","","","","","","1.054","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7014030","17.654","0.002","10.809","0.0015","17.908","0.003","90","","90","","90","","3417.2","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dichloro(1,2-bis(dimethylstibanylmethyl)benzene)platinum(II)","","- C12 H20 Cl2 Pt Sb2 -","- C12 H20 Cl2 Pt Sb2 -","- C96 H160 Cl16 Pt8 Sb16 -","8","1","","Levason, William; Matthews, Melissa L.; Reid, Gillian; Webster, Michael","Synthesis and characterisation of transition metal halide complexes of the xylyl-distibine, 1,2-bis(dimethylstibanylmethyl)benzene.","Dalton transactions (Cambridge, England : 2003)","2004","","4","554","561","10.1039/b400214h","","","0.71073","MoKα","","0.0658","0.0552","","","0.1512","0.1626","","","","","","1.114","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014039","16.62","0.005","21.738","0.005","16.243","0.005","90","","90","","90","","5868","3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(1,2,3,4,5-pentamethylcyclopentadienyl)barium(II)triglyme","","- C28 H48 Ba O4 -","- C28 H48 Ba O4 -","- C224 H384 Ba8 O32 -","8","1","","Hatanpää, Timo; Vehkamäki, Marko; Mutikainen, Ilpo; Kansikas, Jarno; Ritala, Mikko; Leskelä, Markku","Synthesis and characterisation of cyclopentadienyl complexes of barium: precursors for atomic layer deposition of BaTiO3.","Dalton transactions (Cambridge, England : 2003)","2004","","8","1181","1188","10.1039/b400235k","","","0.71069","MoKα","","0.083","0.0689","","","0.1821","0.1934","","","","","","1.04","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014047","10.0667","0.0007","23.301","0.002","46.071","0.004","90","","90","","90","","10806.6","1.5","293","2","293","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C44 H74 Cl6 Fe2 N10 Zn3 -","- C44 H74 Cl6 Fe2 N10 Zn3 -","- C352 H592 Cl48 Fe16 N80 Zn24 -","8","1","","Bernhardt, Paul V.; Creevey, Nicole L.","Electrochemical anion recognition with ferrocene functionalised macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","6","914","920","10.1039/b400538d","","x-ray","0.71073","MoKα","","0.3007","0.0629","","","0.0968","0.1524","","","","","","0.939","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7014086","28.918","0.004","11.559","0.002","7.9717","0.0012","90","","90","","90","","2664.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(pentafluoroethyl)diphenylphosphine","","","- C14 H10 F5 P -","- C14 H10 F5 P -","- C112 H80 F40 P8 -","8","1","","Palcic, Jason D.; Kapoor, P. N.; Roddick, Dean M.; Peters, R. Gregory","Perfluoroalkylphosphine coordination chemistry of platinum: synthesis of (C2F5)2PPh and (C2F5)PPh2 complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1644","1647","10.1039/b400995a","","","0.71073","MoKα","","0.0525","0.0402","","0.1095","0.1023","","","","1.129","1.169","1.169","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014137","12.5227","0.0003","9.4272","0.0002","20.3311","0.0005","90","","90","","90","","2400.17","0.1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl4 Fe2 N2 O4 -","- C16 H28 Cl4 Fe2 N2 O4 -","- C64 H112 Cl16 Fe8 N8 O16 -","4","0.5","","Speiser, Fredy; Braunstein, Pierre; Saussine, Lucien","Nickel and iron complexes with oxazoline- or pyridine-phosphonite ligands; synthesis, structure and application for the catalytic oligomerisation of ethylene.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1539","1545","10.1039/b401792g","","","0.71073","MoKα","","0.0577","0.0362","","","0.0742","0.0837","","","","","","1.067","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014142","7.4103","0.0001","11.7716","0.0001","24.7644","0.0003","90","","90","","90","","2160.23","0.04","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 O3 P -","- C12 H9 O3 P -","- C96 H72 O24 P8 -","8","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0327","0.0324","","","0.0844","0.0848","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014146","16.715","0.0003","14.863","0.0003","18.135","0.0002","90","","90","","90","","4505.37","0.13","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N O5 P S -","- C25 H22 N O5 P S -","- C200 H176 N8 O40 P8 S8 -","8","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0386","0.0372","","","0.0982","0.0997","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014147","17.9435","0.0002","12.2426","0.0001","18.7133","0.0003","90","","90","","90","","4110.85","0.09","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.033","0.032","","","0.0828","0.0836","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014190","14.0151","0.0002","20.1112","0.0002","28.2688","0.0004","90","","90","","90","","7967.86","0.18","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Au I P -","- C21 H21 Au I P -","- C336 H336 Au16 I16 P16 -","16","2","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0386","0.033","","","0.0696","0.0719","","","","","","1.055","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014358","17.1148","0.0007","22.5558","0.0009","25.0673","0.0009","90","","90","","90","","9676.9","0.7","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,3-alternate-thiacalix[4]-m-benzocrown-4","1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,3- bis(oxyethoxy)benzene]-2,8,14,20-tetra-thiacalix[4]arene","","- C50 H58 O6 S4 -","- C50 H58 O6 S4 -","- C400 H464 O48 S32 -","8","1","","Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling","Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","367","376","10.1039/c0dt00543f","","","0.71073","MoKα","","0.1027","0.0762","","","0.1493","0.1598","","","","","","1.173","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014365","16.3447","0.0002","18.3512","0.0002","25.548","0.0003","90","","90","","90","","7662.99","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H37 N O2 P2 Pd S3 -","- C44 H37 N O2 P2 Pd S3 -","- C352 H296 N8 O16 P16 Pd8 S24 -","8","1","","Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai","Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","623","631","10.1039/c0dt00582g","","","0.71073","MoKα","","0.0685","0.0399","","","0.0952","0.1095","","","","","","1.02","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014366","16.3309","0.0001","18.3563","0.0002","25.5228","0.0002","90","","90","","90","","7651.09","0.11","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H37 N O2 P2 Pt S3 -","- C44 H37 N O2 P2 Pt S3 -","- C352 H296 N8 O16 P16 Pt8 S24 -","8","1","","Singh, Bandana; Drew, Michael G. B.; Kociok-Kohn, Gabriele; Molloy, Kieran C.; Singh, Nanhai","Unprecedented coordination of dithiocarbimate in multinuclear and heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","623","631","10.1039/c0dt00582g","","","0.71073","MoKα","","0.0521","0.0289","","","0.0601","0.0679","","","","","","1.031","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014390","19.393","0.006","17.061","0.005","22.629","0.007","90","","90","","90","","7487","4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 Mo N4 O3 P Si4 -","- C24 H63 Mo N4 O3 P Si4 -","- C192 H504 Mo8 N32 O24 P8 Si32 -","8","1","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.1211","0.0467","","","0.0864","0.1006","","","","","","1.009","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014391","19.01","0.006","16.687","0.005","22.677","0.006","90","","90","","90","","7194","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H57 Mo N4 O3 P Si4 -","- C21 H57 Mo N4 O3 P Si4 -","- C168 H456 Mo8 N32 O24 P8 Si32 -","8","1","","Kovalenko, Oleksandr O.; Boldog, Ishtvan; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of trialkoxynitridomolybdenum with low-coordinate phosphorus compounds containing a P=N double bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","711","717","10.1039/c0dt00694g","","","0.71073","MoKα","","0.0938","0.0397","","","0.0708","0.076","","","","","","1.013","","","","has coordinates,has disorder","179847","2020-10-21","18:00:00",""
"7014434","17.8444","0.0014","13.7455","0.0011","28.9636","0.0018","90","","90","","90","","7104.2","0.9","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H44 O P2 Pt S2 Si -","- C35 H44 O P2 Pt S2 Si -","- C280 H352 O8 P16 Pt8 S16 Si8 -","8","1","","Mügge, Carolin; Rothenburger, Claudia; Beyer, Antje; Görls, Helmar; Gabbiani, Chiara; Casini, Angela; Michelucci, Elena; Landini, Ida; Nobili, Stefania; Mini, Enrico; Messori, Luigi; Weigand, Wolfgang","Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(ii) compounds with sulfur and phosphorus donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","9","2006","2016","10.1039/c0dt00845a","","","0.71073","MoKα","","0.1576","0.0876","","","0.215","0.266","","","","","","1.018","","","","has coordinates,has disorder","179848","2020-10-21","18:00:00",""
"7014453","12.8056","0.0005","18.2219","0.0008","31.5759","0.0015","90","","90","","90","","7368","0.6","100.1","","100.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Mo N2 O8 S5 -","- C28 H46 Mo N2 O8 S5 -","- C224 H368 Mo8 N16 O64 S40 -","8","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.0712","","","","0.1457","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014455","12.7676","0.0007","18.3036","0.001","31.9341","0.0017","90","","90","","90","","7462.8","0.7","100.1","","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Mo N2 O8 S4 Se -","- C28 H46 Mo N2 O8 S4 Se -","- C224 H368 Mo8 N16 O64 S32 Se8 -","8","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.0566","","","","0.1689","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014593","19.4392","0.0014","10.9257","0.0008","21.4868","0.0015","90","","90","","90","","4563.5","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Cl4 N2 O3 Re -","- C21 H15 Cl4 N2 O3 Re -","- C168 H120 Cl32 N16 O24 Re8 -","8","1","","Lane, Stephanie Renee; Sisay, Nebiat; Carney, Brett; Dannoon, Shorouk; Williams, Stephen; Engelbrecht, Hendrik Petrus; Barnes, Charles Leslie; Jurisson, Silvia Sabine","Re(V) and Re(III) complexes with sal2phen and triphenylphosphine: rearrangement, oxidation and reduction.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","269","276","10.1039/c0dt00993h","","","0.71073","MoKα","","0.0456","0.035","","","0.0886","0.0949","","","","","","1.046","","","","has coordinates,has disorder","179849","2020-10-21","18:00:00",""
"7014596","11.74","0.003","19.505","0.004","24.825","0.005","90","","90","","90","","5685","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H40 Cl N2 O4 Rh -","- C27 H40 Cl N2 O4 Rh -","- C216 H320 Cl8 N16 O32 Rh8 -","8","1","","Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.","Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","301","304","10.1039/c0dt00997k","","","0.71073","MoKα","","0.0786","0.0511","","","0.1307","0.1504","","","","","","1.026","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014896","18.3337","0.0003","16.1172","0.0003","20.7593","0.0003","90","","90","","90","","6134.12","0.18","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate","Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate","","- C30 H40 B F10 P -","- C30 H40 B F10 P -","- C240 H320 B8 F80 P8 -","8","1","","Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Reversible, metal-free hydrogen activation by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1091","1097","10.1039/c0dt01255f","","","0.71073","MoKα","","0.0895","0.0427","","","0.0918","0.0999","","","","","","0.864","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014946","16.1273","0.0003","8.2646","0.0002","25.3157","0.0005","90","","90","","90","","3374.22","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H7 F12 O P -","- C16 H7 F12 O P -","- C128 H56 F96 O8 P8 -","8","1","","Capel, Victoria L.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.; Zorina, Natalia V.","Stereochemically inactive lone pairs in phosphorus(iii) compounds: the characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3) (Ar) substituent and their complexation behaviour towards Pt(ii) species.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1808","1816","10.1039/c0dt01313g","","","0.71073","MoKα","","0.0433","0.0406","","","0.1079","0.11","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014982","13.518","0.009","16.712","0.008","21.148","0.016","90","","90","","90","","4778","5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cr F3 N O4 S -","- C24 H23 Cr F3 N O4 S -","- C192 H184 Cr8 F24 N8 O32 S8 -","8","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.05","0.032","","","0.0772","0.0873","","","","","","1.056","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014983","14.3796","0.0011","15.9373","0.0012","18.4488","0.0013","90","","90","","90","","4227.9","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Cr N2 -","- C23 H32 Cr N2 -","- C184 H256 Cr8 N16 -","8","1","","Zhou, Wen; Therrien, Jeffrey A.; Wence, D Lee K; Yallits, Emily N.; Conway, Julia L.; Patrick, Brian O.; Smith, Kevin M.","Cyclopentadienyl mesityl complexes of chromium(II) and chromium(III).","Dalton transactions (Cambridge, England : 2003)","2011","40","2","337","339","10.1039/c0dt01399d","","","0.71073","MoKα","","0.0726","0.0371","","","0.0885","0.1059","","","","","","1.035","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7015077","10.8248","0.0005","8.8552","0.0004","25.3482","0.0013","90","","90","","90","","2429.8","0.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O6 Zn -","- C12 H10 O6 Zn -","- C96 H80 O48 Zn8 -","8","1","","Fang, Shao-Ming; Hu, Min; Zhang, Qiang; Du, Miao; Liu, Chun-Sen","Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4527","4541","10.1039/c0dt00903b","","","0.71073","MoKα","","0.0637","0.0279","","","0.0473","0.0498","","","","","","1.051","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015103","14.9","0.003","7.6852","0.0014","23.142","0.005","90","","90","","90","","2650","0.9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N5 Zn -","- C12 H8 Cl N5 Zn -","- C96 H64 Cl8 N40 Zn8 -","8","1","","Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing","Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2805","2814","10.1039/c0dt01174f","","","0.71075","MoKα","","0.0607","0.0496","","","0.1126","0.1199","","","","","","1.052","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015187","21.7803","0.0005","7.4278","0.0002","28.0087","0.0008","90","","90","","90","","4531.2","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl N2 Se -","- C12 H9 Cl N2 Se -","- C192 H144 Cl16 N32 Se16 -","16","2","","Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J.","Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4489","4496","10.1039/c0dt01319f","","","0.71073","MoKα","","0.1585","0.0639","","","0.1548","0.2254","","","","","","1.094","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015210","19.115","0.003","19.488","0.003","21.356","0.002","90","","90","","90","","7955.4","1.9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H90 Cl2 O8 S12 Sn6 Ti6 -","- C54 H90 Cl2 O8 S12 Sn6 Ti6 -","- C216 H360 Cl8 O32 S48 Sn24 Ti24 -","4","0.5","","Singh, Neetu; Bhattacharya, Subrato","Synthesis and structural studies of an electron deficient hexatitanium cluster dication stabilized by novel tritin anions.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2707","2710","10.1039/c0dt01353f","","","0.71073","MoKα","","0.1387","0.0836","","","0.1605","0.194","","","","","","1.157","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015226","10.6151","0.0006","17.5119","0.001","23.4857","0.0013","90","","90","","90","","4365.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N6 O2 Pt -","- C22 H23 Cl N6 O2 Pt -","- C176 H184 Cl8 N48 O16 Pt8 -","8","1","","Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy","N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4402","4406","10.1039/c0dt01380c","","","0.71073","MoKα","","0.0325","0.0277","","","0.0683","0.0701","","","","","","1.114","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015243","18.7795","0.0005","14.5947","0.0002","27.0597","0.0008","90","","90","","90","","7416.6","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 B F4 N4 O7 Re -","- C37 H26 B F4 N4 O7 Re -","- C296 H208 B8 F32 N32 O56 Re8 -","8","1","","Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.","Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3498","3509","10.1039/c0dt01383h","","","0.71073","MoKα","","0.1229","0.0597","","","0.1284","0.1523","","","","","","1.026","","","","has coordinates,has disorder","179856","2020-10-21","18:00:00",""
"7015279","9.4004","0.0002","15.8211","0.0004","29.6255","0.0007","90","","90","","90","","4406.04","0.18","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Fe N -","- C29 H29 Fe N -","- C232 H232 Fe8 N8 -","8","1","","Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3724","3736","10.1039/c0dt01430c","","","0.71073","MoKα","","0.1017","0.0482","","","0.1183","0.1397","","","","","","1.04","","","","has coordinates","179856","2020-10-21","18:00:00",""
"7015306","15.888","0.002","17.307","0.003","28.582","0.004","90","","90","","90","","7859","2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 4","","","- C11 H15 Fe2 I O5 S3 -","- C11 H15 Fe2 I O5 S3 -","- C176 H240 Fe32 I16 O80 S48 -","16","2","","Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming","Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4291","4299","10.1039/c0dt01465f","","","0.71073","MoKα","","0.0751","0.0348","","","0.0803","0.0935","","","","","","1.002","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015344","15.222","0.007","7.432","0.002","26.225","0.009","90","","90","","90","","2966.8","1.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cu N2 O7 S -","- C11 H14 Cu N2 O7 S -","- C88 H112 Cu8 N16 O56 S8 -","8","1","","Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.","Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2822","2836","10.1039/c0dt01527j","","","0.71073","MoKα","","0.0881","0.0535","","","0.1294","0.148","","","","","","1.037","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015359","13.0982","0.0011","13.2447","0.0008","17.8453","0.0011","90","","90","","90","","3095.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H18 Al B5 N2 O10 -","- C5 H18 Al B5 N2 O10 -","- C40 H144 Al8 B40 N16 O80 -","8","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0417","0.0372","","","0.0998","0.1035","","","","","","1.091","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015360","13.1331","0.0013","13.359","0.0009","17.9234","0.0013","90","","90","","90","","3144.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H20 Al B5 N2 O10 -","- C6 H20 Al B5 N2 O10 -","- C48 H160 Al8 B40 N16 O80 -","8","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0669","0.057","","","0.1716","0.1848","","","","","","1.009","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015361","13.0751","0.0009","13.3143","0.0008","17.3722","0.0012","90","","90","","90","","3024.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H17 Al B5 N2 O10.5 -","- C4 H17 Al B5 N2 O10.5 -","- C32 H136 Al8 B40 N16 O84 -","8","1","","Cao, Gao-Juan; Lin, Jian; Fang, Wei-Hui; Zheng, Shou-Tian; Yang, Guo-Yu","Open-framework aluminoborates co-templated by two types of primary amines.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2940","2946","10.1039/c0dt01537g","","","0.71073","MoKα","","0.0753","0.0658","","","0.2016","0.211","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015390","13.6928","0.0007","16.244","0.0008","18.004","0.0009","90","","90","","90","","4004.6","0.3","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl2 Fe N4 -","- C18 H26 Cl2 Fe N4 -","- C144 H208 Cl16 Fe8 N32 -","8","1","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","x-ray","0.71073","MoKα","","0.0514","0.0448","","","0.1136","0.118","","","","","","1.067","","","","has coordinates","179857","2020-10-21","18:00:00",""
"7015393","13.6436","0.0011","16.3086","0.0013","17.9521","0.0014","90","","90","","90","","3994.5","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl2 Mn N4 -","- C18 H26 Cl2 Mn N4 -","- C144 H208 Cl16 Mn8 N32 -","8","1","","Coates, Cristina M.; Hagan, Kenton; Mitchell, Casey A.; Gorden, John D.; Goldsmith, Christian R.","Structural characterization of manganese and iron complexes with methylated derivatives of bis(2-pyridylmethyl)-1,2-ethanediamine reveals unanticipated conformational flexibility.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4048","4058","10.1039/c0dt01556c","","","0.71073","MoKα","","0.0433","0.0361","","","0.1014","0.1071","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015441","19.9693","0.0006","14.206","0.0004","22.7462","0.0007","90","","90","","90","","6452.7","0.3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H80 Fe6 N6 O24 S2 -","- C50 H80 Fe6 N6 O24 S2 -","- C200 H320 Fe24 N24 O96 S8 -","4","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.0485","0.0323","","0.0732","0.0579","0.0732","","","","","","1.0215","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015447","20.4582","0.0004","14.4149","0.0003","22.6752","0.0004","90","","90","","90","","6687","0.2","150","2","150","2","","","","","","","I.Gass Reaction IAG1591","6","P b c a","-P 2ac 2ab","61","","","","- C54 H88 Fe6 N6 O24 S2 -","- C54 H88 Fe6 N6 O24 S2 -","- C216 H352 Fe24 N24 O96 S8 -","4","0.5","","Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.","Hexa- and octanuclear iron(III) salicylaldoxime clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2875","2881","10.1039/c0dt01593h","","","0.71073","MoKα","","0.0881","0.0826","","","0.1526","0.1547","","","","","","1.362","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015476","12.2286","0.0009","17.4493","0.0013","25.3574","0.0019","90","","90","","90","","5410.8","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 F6 Fe2 N4 -","- C29 H22 F6 Fe2 N4 -","- C232 H176 F48 Fe16 N32 -","8","1","","Zhang, Qiong; Song, Wen-Li; Showkot Hossain, A. M.; Liu, Zhao-Di; Hu, Gui-Ju; Tian, Yu-Peng; Wu, Jie-Ying; Jin, Bao-Kang; Zhou, Hong-Ping; Yang, Jia-Xiang; Zhang, Sheng-Yi","Synthesis, crystal structure, electrochemistry and in situ FTIR spectroelectrochemistry of a bisferrocene pyrazole derivative.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3510","3516","10.1039/c0dt01648a","","","0.71073","MoKα","","0.0572","0.0424","","","0.1417","0.1563","","","","","","1.17","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015691","17.28","0.008","15.826","0.007","20.966","0.009","90","0.005","90","0.005","90","0.005","5734","4","123","2","123","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C24 H45 B F4 Ni O P2 -","- C24 H45 B F4 Ni O P2 -","- C192 H360 B8 F32 Ni8 O8 P16 -","8","1","","Rossin, Andrea; Peruzzini, Maurizio; Zanobini, Fabrizio","Nickel(II) hydride and fluoride pincer complexes and their reactivity with Lewis acids BX3·L (X = H, L = thf; X = F, L = Et2O).","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4447","4452","10.1039/c0dt01836h","","x-ray","0.71069","MoKα","","0.0806","0.0326","","","0.0465","0.0525","","","","","","0.755","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015716","13.78","0.004","13.921","0.004","22.471","0.007","90","","90","","90","","4311","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Fe4 N30 O4 -","- C30 H38 Fe4 N30 O4 -","- C120 H152 Fe16 N120 O16 -","4","0.5","","Shin, Jong Won; Rowthu, Sankara Rao; Hyun, Min Young; Song, Young Joo; Kim, Cheal; Kim, Bong Gon; Min, Kil Sik","Monomeric, trimeric, and tetrameric transition metal complexes (Mn, Fe, Co) containing N,N-bis(2-pyridylmethyl)-2-aminoethanol/-ate: preparation, crystal structure, molecular magnetism and oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5762","5773","10.1039/c1dt10028a","","","0.71073","MoKα","","0.1369","0.0481","","","0.095","0.1233","","","","","","0.82","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7015735","16.679","0.005","15.389","0.005","17.057","0.005","90","","90","","90","","4378","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Ir N2 P -","- C24 H29 Ir N2 P -","- C192 H232 Ir8 N16 P8 -","8","1","","Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H.","Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4300","4306","10.1039/c1dt10037h","","","0.71073","MoKα","","0.0599","0.0477","","","0.1209","0.1315","","","","","","1.047","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015865","11.6597","0.0017","8.0541","0.001","35.094","0.005","90","","90","","90","","3295.6","0.8","296","0.2","296","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl3 N4 O2 P3 -","- C9 H12 Cl3 N4 O2 P3 -","- C72 H96 Cl24 N32 O16 P24 -","8","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.067","0.0371","","","0.0821","0.0918","","","","","","1.036","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015932","16.306","0.001","15.579","0.001","17.484","0.001","90","","90","","90","","4441.5","0.5","100","2","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H37 B9 P3 Rh S -","- C9 H36.917 B9 P3 Rh S -","- C72 H295.336 B72 P24 Rh8 S8 -","8","1","","Calvo, Beatriz; Kess, Martin; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Kennedy, John D.; Oro, Luis A.","Chemistry of 11-vertex rhodathiaboranes: reactions with monodentate phosphines.","Dalton transactions (Cambridge, England : 2003)","2011","40","24","6555","6564","10.1039/c1dt10355e","","x-ray","0.7378","synchrotron","","0.0264","0.0252","","","0.0684","0.0693","","","","","","1.057","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015944","10.205","0.002","20.135","0.004","35.578","0.008","90","","90","","90","","7310","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","NiFe","","","- C22 H42 Fe3 N10 Ni2 O7 S4 -","- C22 H42 Fe3 N10 Ni2 O7 S4 -","- C176 H336 Fe24 N80 Ni16 O56 S32 -","8","1","","Hsieh, Chung-Hung; Chupik, Rachel B.; Brothers, Scott M.; Hall, Michael B.; Darensbourg, Marcetta Y.","cis-Dithiolatonickel as metalloligand to dinitrosyl iron units: the di-metallic structure of Ni(μ-SR)[Fe(NO)(2)] and an unexpected, abbreviated metalloadamantyl cluster, Ni(2)(μ-SR)(4)[Fe(NO)(2)](3).","Dalton transactions (Cambridge, England : 2003)","2011","40","22","6047","6053","10.1039/c1dt10438a","","","1.54178","CuKα","","0.1365","0.0966","","","0.1883","0.2057","","","","","","1.157","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7015997","16.069","0.003","15.616","0.003","18.099","0.004","90","","90","","90","","4541.6","1.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mn N5 O7 -","- C22 H24 Mn N5 O7 -","- C176 H192 Mn8 N40 O56 -","8","1","","Bhowmik, Prasanta; Nayek, Hari Pada; Corbella, Montserrat; Aliaga-Alcalde, Núria; Chattopadhyay, Shouvik","Control of molecular architecture by steric factors: mononuclear vs polynuclear manganese(iii) compounds with tetradentate N(2)O(2) donor Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7916","7926","10.1039/c0dt01723j","","","0.71073","MoKα","","0.1024","0.0655","","","0.1478","0.1607","","","","","","0.899","","","","has coordinates","179863","2020-10-21","18:00:00",""
"7016090","23.1585","0.0018","17.9103","0.0013","24.1797","0.0018","90","","90","","90","","10029.2","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C51 H38.25 F12 N3 O0.63 P4 Ru S3 -","- C51 H37 F12 N3 O0.626 P4 Ru S3 -","- C408 H296 F96 N24 O5.008 P32 Ru8 S24 -","8","1","","Kuchison, Angela M.; Wolf, Michael O.; Patrick, Brian O.","Photophysical and electrochemical properties of Ru(ii) complexes containing tridentate bisphosphino-oligothiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","26","6912","6921","10.1039/c1dt10217f","","","0.71073","MoKα","","0.0976","0.058","","","0.1149","0.1323","","","","","","1.152","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016097","20.69","0.002","20.374","0.002","40.538","0.003","90","","90","","90","","17088","3","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C103 H108 Fe2 P4 -","- C103 H108 Fe2 P4 -","- C824 H864 Fe16 P32 -","8","1","","Malvolti, Floriane; Rouxel, Cedric; Mongin, Olivier; Hapiot, Philippe; Toupet, Loic; Blanchard-Desce, Mireille; Paul, Frédéric","Optical electron transfer through 2,7-diethynylfluorene spacers in mixed-valent complexes containing electron-rich ""(η(2)-dppe)(η(5)-C(5)Me(5))Fe"" endgroups.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6616","6618","10.1039/c1dt10231a","","","0.71073","MoKα","","0.1694","0.065","","","0.1221","0.1381","","","","","","0.981","","","","has coordinates,has disorder","179864","2020-10-21","18:00:00",""
"7016105","10.068","0.004","15.311","0.006","18.234","0.008","90","","90","","90","","2811","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl2 N2 O2 Pd -","- C12 H12 Cl2 N2 O2 Pd -","- C96 H96 Cl16 N16 O16 Pd8 -","8","1","","Saha Roy, Amit; Saha, Pinaki; Mitra, Partha; Sundar Maity, Shyam; Ghosh, Sanjib; Ghosh, Prasanta","Unsymmetrical diimine chelation to M(ii) (M = Zn, Cd, Pd): atropisomerism, pi-pi stacking and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7375","7384","10.1039/c1dt10270b","","","0.71073","MoKα","","0.054","0.0344","","","0.0821","0.0963","","","","","","1.089","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016162","10.7301","0.0007","12.0972","0.0012","26.5778","0.0014","90","","90","","90","","3449.9","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H27 B9 Fe -","- C13 H27 B9 Fe -","- C104 H216 B72 Fe8 -","8","1","","Holub, Josef; Stíbr, Bohumil; Bakardjiev, Mario; Růžička, Aleš; Padělková, Zdeňka","Thermal isomerization of η(6)-arene ferradicarbolllides. Experimental proof for isolobal relation between (η(6)-arene)Fe and (η(5)-cyclopentadienyl)Co cluster units.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6623","6625","10.1039/c1dt10367a","","","0.71073","MoKα","","0.0712","0.0452","","","0.0961","0.1093","","","","","","1.094","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016207","25.0768","0.0017","19.0144","0.0013","29.281","0.002","90","","90","","90","","13961.8","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H66 B2 N20 O6 Zn2 -","- C73 H66 B2 N20 O6 Zn2 -","- C584 H528 B16 N160 O48 Zn16 -","8","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0536","0.0369","","","0.0907","0.1025","","","","","","1.042","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016228","16.582","0.0015","17.7264","0.0004","18.8172","0.0015","90","","90","","90","","5531.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H42 N4 O Zr -","- C25 H42 N4 O Zr -","- C200 H336 N32 O8 Zr8 -","8","1","","Ayinla, Rashidat O.; Schafer, Laurel L.","Intermolecular hydroamination of oxygen-substituted allenes. New routes for the synthesis of N,O-chelated zirconium and titanium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7769","7776","10.1039/c1dt10448a","","","0.71073","MoKα","","0.0579","0.0303","","","0.0681","0.0764","","","","","","1.013","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016260","13.5102","0.0005","19.4031","0.0006","20.6142","0.0007","90","","90","","90","","5403.8","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H21 F6 N5 O3 P Re -","- C24 H21 F6 N5 O3 P Re -","- C192 H168 F48 N40 O24 P8 Re8 -","8","1","","Uppal, Baljinder S.; Booth, Rebecca K.; Ali, Noreen; Lockwood, Cindy; Rice, Craig R.; Elliott, Paul I. P.","Synthesis and characterisation of luminescent rhenium tricarbonyl complexes with axially coordinated 1,2,3-triazole ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7610","7616","10.1039/c1dt10634a","","","0.71073","MoKα","","0.0568","0.0376","","","0.0961","0.1145","","","","","","0.947","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016538","15.4234","0.0003","17.179","0.0003","35.8699","0.0007","90","","90","","90","","9504","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H47 Au2 N3 P2 -","- C56 H47 Au2 N3 P2 -","- C448 H376 Au16 N24 P16 -","8","1","","Del Castillo, Trevor J.; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.","1,3-Dipolar cycloaddition between a metal-azide (Ph(3)PAuN(3)) and a metal-acetylide (Ph(3)PAuC[triple bond, length as m-dash]CPh): an inorganic version of a click reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8140","8144","10.1039/c1dt10787a","","","0.71073","MoKα","","0.057","0.0333","","","0.06","0.064","","","","","","0.932","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016551","6.8451","0.0005","19.914","0.002","20.9767","0.0016","90","","90","","90","","2859.4","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 I2 N2 Pt2 -","- C30 H28 I2 N2 Pt2 -","- C120 H112 I8 N8 Pt8 -","4","0.5","","Jamali, Sirous; Czerwieniec, Rafal; Kia, Reza; Jamshidi, Zahra; Zabel, Manfred","Synthesis, structure and photophysical properties of binuclear methylplatinum complexes containing cyclometalating 2-phenylpyridine or benzo{h}quinoline ligands: a comparison of intramolecular Pt-Pt and π-π interactions.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9123","9130","10.1039/c1dt10834d","","","0.71073","MoKα","","0.0761","0.0665","","","0.1806","0.1948","","","","","","1.068","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016598","15.414","0.003","11.877","0.002","24.154","0.005","90","","90","","90","","4421.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Co3 N4 O16 -","- C44 H38 Co3 N4 O16 -","- C176 H152 Co12 N16 O64 -","4","0.5","","Chen, Wen-Xian; Zhuang, Gui-Lin; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Magnetic and thermal properties of three ionothermally synthesized metal-carboxylate frameworks of [M(3)(ip)(4)][EMIm](2) (M = Co, Ni, Mn, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium).","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10237","10241","10.1039/c1dt10070j","","","0.71073","MoKα","","0.1228","0.0637","","","0.1475","0.1758","","","","","","1.029","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016599","15.4912","0.0006","11.6687","0.0005","23.7502","0.0009","90","","90","","90","","4293.1","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H38 N4 Ni3 O16 -","- C44 H38 N4 Ni3 O16 -","- C176 H152 N16 Ni12 O64 -","4","0.5","","Chen, Wen-Xian; Zhuang, Gui-Lin; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Magnetic and thermal properties of three ionothermally synthesized metal-carboxylate frameworks of [M(3)(ip)(4)][EMIm](2) (M = Co, Ni, Mn, H(2)ip = isophthalic acid, EMIm = 1-ethyl-3-methyl imidazolium).","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10237","10241","10.1039/c1dt10070j","","","0.71073","MoKα","","0.0807","0.0389","","","0.0635","0.0702","","","","","","0.917","","","","has coordinates,has disorder","179869","2020-10-21","18:00:00",""
"7016682","16.36","0.0012","17.821","0.001","18.0306","0.0013","90","","90","","90","","5256.8","0.6","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cl2 Co N5 O4 -","- C27 H29 Cl2 Co N5 O4 -","- C216 H232 Cl16 Co8 N40 O32 -","8","1","","Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.","Switching on oxygen activation by cobalt complexes of pentadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10698","10707","10.1039/c1dt10594a","","","0.71073","MoKα","","0.0638","0.0333","","","0.0686","0.0774","","","","","","1.023","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016838","12.7398","0.0004","9.0666","0.0004","26.1314","0.0012","90","","90","","90","","3018.4","0.2","200","","199.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 Se -","- C14 H20 N4 Se -","- C112 H160 N32 Se8 -","8","1","","Molter, Anja; Rust, Jörg; Lehmann, Christian W.; Deepa, Ganesh; Chiba, Peter; Mohr, Fabian","Synthesis, structures and anti-malaria activity of some gold(i) phosphine complexes containing seleno- and thiosemicarbazonato ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9810","9820","10.1039/c1dt10885a","","","0.7107","MoKα","","0.076","0.0347","","","0.081","0.0866","","","","","","0.888","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016859","23.2733","0.0016","16.3163","0.001","30.8","0.003","90","","90","","90","","11695.8","1.6","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F6 N3 O7 S2 Si -","- C24 H25 F6 N3 O7 S2 Si -","- C384 H400 F96 N48 O112 S32 Si16 -","16","2","","Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold","Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9844","9857","10.1039/c1dt10898k","","","0.71073","MoKα","","0.0596","0.0439","","","0.1138","0.1211","","","","","","1.062","","","","has coordinates,has disorder","179872","2020-10-21","18:00:00",""
"7016881","11.3093","0.0004","18.4373","0.0007","31.0211","0.001","90","","90","","90","","6468.3","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H28.5 Cl2 Fe O2.25 P2 Zn -","- C34 H28.5 Cl2 Fe O2.25 P2 Zn -","- C272 H228 Cl16 Fe8 O18 P16 Zn8 -","8","1","","Zhang, Wenhua; Hor, T. S. Andy","Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10725","10730","10.1039/c1dt10920k","","","0.71073","MoKα","","0.1051","0.0699","","","0.1472","0.1619","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016889","19.4975","0.0004","14.2729","0.0003","20.3022","0.0003","90","","90","","90","","5649.82","0.19","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Cl F6 I N3 O1.5 Os P -","- C22 H22 Cl F6 I N3 O1.5 Os P -","- C176 H176 Cl8 F48 I8 N24 O12 Os8 P8 -","8","1","","Fu, Ying; Habtemariam, Abraha; Basri, Aida M. B. H.; Braddick, Darren; Clarkson, Guy J.; Sadler, Peter J.","Structure-activity relationships for organometallic osmium arene phenylazopyridine complexes with potent anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10553","10562","10.1039/c1dt10937e","","","0.71073","MoKα","","0.0625","0.0324","","","0.0707","0.0739","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016906","7.5427","0.0005","12.7303","0.0009","26.7851","0.0019","90","","90","","90","","2571.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C120 H88 Cr8 N8 O24 -","8","1","","Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.","Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9439","9446","10.1039/c1dt10994d","","","0.71073","MoKα","","0.0391","0.035","","","0.098","0.1011","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016927","14.321","0.0011","26.898","0.003","16.132","0.0015","90","","90","","90","","6214.1","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H44 Cl4 N2 O6 Ru2 S6 -","- C14 H44 Cl4 N2 O6 Ru2 S6 -","- C112 H352 Cl32 N16 O48 Ru16 S48 -","8","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","1","synchrotron","","0.0293","0.0261","","","0.0663","0.0688","","","","","","1.137","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016930","10.815","0.0011","17.172","0.0015","20.805","0.0017","90","","90","","90","","3863.8","0.6","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Cl F6 N2 O3 P Ru S3 -","- C6 H24 Cl F6 N2 O3 P Ru S3 -","- C48 H192 Cl8 F48 N16 O24 P8 Ru8 S24 -","8","1","","Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9533","9543","10.1039/c1dt11043h","","","0.71073","MoKα","","0.1355","0.0485","","","0.1023","0.1211","","","","","","0.781","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016946","21.0477","0.0011","23.5378","0.0012","35.0309","0.0017","90","","90","","90","","17354.9","1.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C87 H90 Li2 O6 P6 S6 Th -","- C87 H90 Li2 O6 P6 S6 Th -","- C696 H720 Li16 O48 P48 S48 Th8 -","8","1","","Ren, Wenshan; Deng, Xuebin; Zi, Guofu; Fang, De-Cai","The Th[double bond, length as m-dash]C double bond: an experimental and computational study of thorium poly-carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9662","9664","10.1039/c1dt11149c","","","0.71073","MoKα","","0.0879","0.0444","","","0.0855","0.1002","","","","","","1.015","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016976","14.573","0.001","20.984","0.002","41.19","0.003","90","","90","","90","","12595.9","1.7","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C76 Cl28.68 -","- C76 Cl28.678 -","- C608 Cl229.424 -","8","1","","Ioffe, Ilya N.; Mazaleva, Olga N.; Chen, Chuanbao; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.","C(76) fullerene chlorides and cage transformations. Structural and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11005","11011","10.1039/c1dt10256g","","","0.905","synchrotron","","0.0754","0.0673","","","0.1773","0.1824","","","","","","1.058","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017091","14.684","0.003","17.133","0.004","33.478","0.007","90","","90","","90","","8422","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H52 Co2 Ge N12 S10 Sb4 -","- C16 H39 Co2 Ge N12 S10 Sb4 -","- C128 H312 Co16 Ge8 N96 S80 Sb32 -","8","1","","Zhou, Jian; An, Litao; Liu, Xing; Huang, Lijun; Huang, Xijiao","Solvothermal synthesis and characterization of two 2-D layered germanium thioantimonates with transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11419","11424","10.1039/c1dt11280e","","","0.71073","MoKα","","0.1155","0.1041","","","0.2293","0.2334","","","","","","1.184","","","","has coordinates,has disorder","179874","2020-10-21","18:00:00",""
"7017092","13.3741","0.0012","17.6065","0.0015","18.562","0.0016","90","","90","","90","","4370.8","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Ge Mn N6 S6 Sb2 -","- C6 H24 Ge Mn N6 S6 Sb2 -","- C48 H192 Ge8 Mn8 N48 S48 Sb16 -","8","1","","Zhou, Jian; An, Litao; Liu, Xing; Huang, Lijun; Huang, Xijiao","Solvothermal synthesis and characterization of two 2-D layered germanium thioantimonates with transition-metal complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11419","11424","10.1039/c1dt11280e","","","0.71073","MoKα","","0.0346","0.0298","","","0.0797","0.0848","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017101","5.979","0.003","7.217","0.003","12.281","0.005","90","","90","","90","","529.9","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5,2,4,6,8-dithiatetrazocine","1,5,2,4,6,8-dithiatetrazocine","","- C2 H2 N4 S2 -","- C2 H2 N4 S2 -","- C8 H8 N16 S8 -","4","0.5","","Moock, Klaus H.; Wong, Ken M.; Boeré, René T","1,5,2,4,6,8-Dithiatetrazocine. Synthesis, computation, crystallography and voltammetry of the parent heterocycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11599","11604","10.1039/c1dt11418b","","x-ray","0.71073","MoKα","","0.0481","0.0389","","","0.1042","0.1117","","","","","","1.109","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7017118","11.4738","0.0008","8.2218","0.0006","21.436","0.0015","90","","90","","90","","2022.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 Pd S2 -","- C20 H20 N2 O4 Pd S2 -","- C80 H80 N8 O16 Pd4 S8 -","4","0.5","","Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.","Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12676","12689","10.1039/c1dt10426h","","","0.71073","MoKα","","0.0466","0.0421","","","0.0885","0.091","","","","","","1.043","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017253","15.507","0.003","7.084","0.0014","20.918","0.004","90","","90","","90","","2297.9","0.8","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cu N3 O3 -","- C13 H9 Cu N3 O3 -","- C104 H72 Cu8 N24 O24 -","8","1","","Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.","Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12374","12380","10.1039/c1dt10853k","","","0.71073","MoKα","","0.0362","0.0352","","","0.0986","0.1003","","","","","","1.105","","","","has coordinates","179876","2020-10-21","18:00:00",""
"7017306","14.5692","0.0011","15.4862","0.0012","17.1701","0.0013","90","","90","","90","","3873.9","0.5","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O S Zn -","- C20 H24 N2 O S Zn -","- C160 H192 N16 O8 S8 Zn8 -","8","1","","Chen, Ming-Tsz; Chen, Chi-Tien","Structural and catalytic studies of zinc complexes containing amido-oxazolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12886","12894","10.1039/c1dt10974j","","","0.71073","MoKα","","0.0809","0.0411","","","0.0987","0.1159","","","","","","0.933","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017432","16.4824","0.001","11.902","0.0007","45.221","0.003","90","","90","","90","","8871.2","1","223","2","223","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C78 H104 B2 Br4 F8 N8 O8 Pd2 -","- C78 H104 B2 Br4 F8 N8 O8 Pd2 -","- C312 H416 B8 Br16 F32 N32 O32 Pd8 -","4","0.5","","Huynh, Han Vinh; Sim, Weiheng; Chin, Chee Fei","[2]Rotaxanes with Palladium(ii)-NHC stoppers.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11690","11692","10.1039/c1dt11472g","","","0.71073","MoKα","","0.0938","0.0545","","","0.1389","0.1561","","","","","","1.032","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017445","10.255","0.001","17.542","0.002","20.379","0.002","90","","90","","90","","3666","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H18 N3 Ru S6 -","- C9 H18 N3 Ru S6 -","- C72 H144 N24 Ru8 S48 -","8","1","","Nagy, Eszter Márta; Nardon, Chiara; Giovagnini, Lorena; Marchiò, Luciano; Trevisan, Andrea; Fregona, Dolores","Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11885","11895","10.1039/c1dt11504a","","","0.71073","MoKα","","0.0492","0.026","","","0.0486","0.0523","","","","","","1.005","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017464","10.129","0.002","17.177","0.003","34.277","0.007","90","","90","","90","","5964","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H47 Cl N3 Si2 -","- C26 H46 Cl N3 Si2 -","- C208 H368 Cl8 N24 Si16 -","8","1","","Cui, Haiyan; Cui, Chunming","Silylation of N-heterocyclic carbene with aminochlorosilane and -disilane: dehydrohalogenation vs. Si-Si bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11937","11940","10.1039/c1dt11592h","","","0.71073","MoKα","","0.0662","0.0573","","","0.1317","0.1363","","","","","","1.144","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017473","9.0126","0.0002","8.7087","0.0002","34.5612","0.001","90","","90","","90","","2712.64","0.12","278","2","278","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(heptylammonium)tetraiodoplumbate(ii) PHASE III","bis(heptylammonium)tetraiodoplumbate(II) PHASE III","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C56 H144 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1033","0.0764","","","0.153","0.1597","","","","","","1.215","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017474","8.8549","0.0015","8.684","0.0019","36.612","0.013","90","","90","","90","","2815.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(heptylammonium)tetraiodoplumbate(ii) PHASE II","bis(heptylammonium)tetraiodoplumbate(II) PHASE II","","- C14 H36 I4 N2 Pb -","- C14 H36 I4 N2 Pb -","- C56 H144 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.3144","0.174","","","0.2889","0.3394","","","","","","1.055","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017476","8.9817","0.0004","8.6886","0.0003","37.4821","0.0018","90","","90","","90","","2925","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(octylammonium)tetraiodoplumbate(ii) PHASE II","bis(octylammonium)tetraiodoplumbate(II) PHASE II","","- C16 H40 I4 N2 Pb -","- C16 H40 I4 N2 Pb -","- C64 H160 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.0821","0.065","","","0.1289","0.1334","","","","","","1.278","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017479","9.0232","0.0002","8.7054","0.0002","39.7578","0.0009","90","","90","","90","","3123","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(nonylammonium)tetraiodoplumbate(ii) PHASE II","bis(nonylammonium)tetraiodoplumbate(II) PHASE II","","- C18 H44 I4 N2 Pb -","- C18 H44 I4 N2 Pb -","- C72 H176 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.089","0.0672","","","0.1417","0.148","","","","","","1.237","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017481","8.8314","0.0002","8.4871","0.0002","43.9491","0.0013","90","","90","","90","","3294.12","0.15","268","2","268","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE III","bis(decylammonium)tetraiodoplumbate(II) PHASE III","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.096","0.0847","","","0.1967","0.2021","","","","","","1.404","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017482","8.8339","0.0002","8.4845","0.0002","43.9647","0.0008","90","","90","","90","","3295.21","0.12","268","2","268","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE II","bis(decylammonium)tetraiodoplumbate(II) PHASE II","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1133","0.101","","","0.2367","0.2423","","","","","","1.421","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017483","8.9708","0.0002","8.6733","0.0002","42.5696","0.0012","90","","90","","90","","3312.19","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE II","bis(decylammonium)tetraiodoplumbate(II) PHASE II","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.123","0.0919","","","0.1991","0.2085","","","","","","1.311","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017484","8.9807","0.0002","8.6742","0.0002","42.5253","0.0014","90","","90","","90","","3312.74","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(decylammonium)tetraiodoplumbate(ii) PHASE II","bis(decylammonium)tetraiodoplumbate(II) PHASE II","","- C20 H48 I4 N2 Pb -","- C20 H48 I4 N2 Pb -","- C80 H192 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Synthesis, characterization and phase transitions of the inorganic-organic layered perovskite-type hybrids [(C(n)H(2n+1)NH3)2PbI4], n = 7, 8, 9 and 10.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1146","1157","10.1039/c0dt01805h","","","0.71073","MoKα","","0.1738","0.1516","","","0.3404","0.3501","","","","","","1.44","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017486","10.9913","0.0004","21.1116","0.0007","58.133","0.002","90","","90","","90","","13489.4","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H18 B2 F42 Fe N6 O6 S6 -","- C56 H18 B2 F42 Fe N6 O6 S6 -","- C448 H144 B16 F336 Fe8 N48 O48 S48 -","8","1","","Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.","Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","737","746","10.1039/c1dt10500k","","","0.71073","MoKα","","0.0748","0.0546","","","0.1127","0.1231","","","","","","1.018","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017526","6.7426","0.0002","15.1934","0.0003","21.4697","0.0005","90","","90","","90","","2199.42","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H15 Cl2 N3 Si -","- C6 H15 Cl2 N3 Si -","- C48 H120 Cl16 N24 Si8 -","8","1","","Sicking, Constantin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silylation products of cyclic tri-aminal carbanions and their lithiation.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","104","111","10.1039/c1dt10943j","","","0.71073","MoKα","","0.0339","0.0327","","","0.0709","0.0714","","","","","","1.213","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017529","16.445","0.007","8.734","0.004","20.526","0.008","90","","90","","90","","2948","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cu N10 O6 S2 -","- C26 H28 Cu N10 O6 S2 -","- C104 H112 Cu4 N40 O24 S8 -","4","0.5","","Wu, Jing-Yun; Zhong, Ming-Shiou; Chiang, Ming-Hsi; Tsai, Meng-Rong; Lai, Long-Li","Synthesis, characterization and structural transformation of a discrete tetragonal metalloprism.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","156","164","10.1039/c1dt10949a","","","0.71073","MoKα","","0.0771","0.042","","","0.0959","0.1096","","","","","","1.037","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017544","17.614","0.003","9.3063","0.0017","20.213","0.004","90","","90","","90","","3313.3","1.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Cl N3 O3 P -","- C14 H21 Cl N3 O3 P -","- C112 H168 Cl8 N24 O24 P8 -","8","1","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0922","0.0496","","","0.1076","0.1219","","","","","","0.892","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017545","17.636","0.003","9.454","0.0015","20.571","0.003","90","","90","","90","","3429.8","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Br N3 O3 P -","- C14 H21 Br N3 O3 P -","- C112 H168 Br8 N24 O24 P8 -","8","1","","Gholivand, Khodayar; Mahzouni, Hamid R.; Esrafili, Mehdi D.","Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1597","1608","10.1039/c1dt11084e","","","0.71073","MoKα","","0.0937","0.0332","","","0.0488","0.0534","","","","","","0.977","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017626","22.613","0.002","12.4255","0.0014","29.17","0.003","90","","90","","90","","8196.1","1.4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H36 Cl F6 N7 P2 Ru -","- C43 H36 Cl F6 N7 P2 Ru -","- C344 H288 Cl8 F48 N56 P16 Ru8 -","8","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.1303","0.0733","","","0.1814","0.2289","","","","","","1.032","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017627","22.247","0.002","7.5266","0.0009","33.04","0.003","90","","90","","90","","5532.4","1","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H18 Cl F6 N6 O2 P Ru -","- C25 H18 Cl F6 N6 O2 P Ru -","- C200 H144 Cl8 F48 N48 O16 P8 Ru8 -","8","1","","Gu, Shaojin; Liu, Bo; Chen, Jiuxi; Wu, Huayue; Chen, Wanzhi","Synthesis, structures, and properties of ruthenium(II) complexes of N-(1,10-phenanthrolin-2-yl)imidazolylidenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","962","970","10.1039/c1dt11269d","","","0.71073","MoKα","","0.1279","0.0915","","","0.1862","0.205","","","","","","1.192","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017654","11.1469","0.0013","22.193","0.003","29.661","0.005","90","","90","","90","","7337.6","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 S2 Si -","- C19 H15 N3 S2 Si -","- C304 H240 N48 S32 Si16 -","16","2","","Kobelt, Claudia; Burschka, Christian; Bertermann, Rüdiger; Fonseca Guerra, C.; Bickelhaupt, F. Matthias; Tacke, Reinhold","Synthesis and structural characterisation of neutral pentacoordinate silicon(iv) complexes with a tridentate dianionic N,N,S chelate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2148","2162","10.1039/c1dt11306b","","","0.71073","MoKα","","0.0837","0.0571","","","0.1548","0.1711","","","","","","1.058","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017706","8.2701","0.0002","15.3634","0.0007","24.168","0.001","90","","90","","90","","3070.7","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cl2 N2 Ni O2 P2 -","- C32 H32 Cl2 N2 Ni O2 P2 -","- C128 H128 Cl8 N8 Ni4 O8 P8 -","4","0.5","","Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre","A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","379","386","10.1039/c1dt11352f","","x-ray","0.71073","MoKα","","0.0958","0.044","","","0.1092","0.1487","","","","","","1.065","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017722","18.3583","0.0002","19.4978","0.0002","22.7303","0.0003","90","","90","","90","","8136.23","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cr F20 N O -","- C40 H36 Cr F20 N O -","- C320 H288 Cr8 F160 N8 O8 -","8","1","","García-Monforte, M Angeles; Alonso, Pablo J.; Arauzo, Ana B.; Martín, Antonio; Menjón, Babil; Rillo, Conrado","A square-pyramidal organochromium(V) compound.","Dalton transactions (Cambridge, England : 2003)","2012","41","4","1297","1303","10.1039/c1dt11376c","","","0.71073","MoKα","","0.0788","0.0486","","","0.137","0.1479","","","","","","1.059","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017736","13.656","0.001","12.1796","0.0009","36.97","0.003","90","","90","","90","","6149","0.8","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","mue2-eta2-eta2[(mue-eta1-eta1-E,Z-2,3,5,6-tetrafluoro1,6-diisocyano- hexa-1,5-dien-3-in)-bis(pentacarbonylchromium)]dicobalt","","- C24 Co2 Cr2 F4 N2 O16 -","- C24 Co2 Cr2 F4 N2 O16 -","- C192 Co16 Cr16 F32 N16 O128 -","8","1","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.0987","0.0387","","","0.0606","0.0679","","","","","","1.034","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017739","13.994","0.003","11.837","0.003","24.944","0.006","90","","90","","90","","4131.9","1.7","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 Co4 Cr2 F4 N2 O22 -","- C32 Co4 Cr2 F4 N2 O22 -","- C128 Co16 Cr8 F16 N8 O88 -","4","0.5","","Mujkic, Monika; Lentz, Dieter","Syntheses of highly unsaturated isocyanides via organometallic pathways.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","839","849","10.1039/c1dt11382h","","","0.71073","MoKα","","0.0772","0.0666","","","0.172","0.1783","","","","","","1.224","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017785","9.7716","0.0001","19.9934","0.0003","25.5683","0.0003","90","","90","","90","","4995.22","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H41 N O2 Si4 -","- C16 H41 N O2 Si4 -","- C128 H328 N8 O16 Si32 -","8","1","","Hardwick, Julie A.; Pavelka, Laura C.; Baines, Kim M.","The addition of amides to group 14 (di)-metallenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","609","621","10.1039/c1dt11450f","","","0.71073","MoKα","","0.1017","0.048","","","0.1146","0.1314","","","","","","1.021","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017842","13.5301","0.0003","17.974","0.0004","48.5907","0.001","90","","90","","90","","11816.8","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C50 H70 B Co2 F6 Mn3 N9 O18 -","- C49.997 H70 B Co2 F6 Mn3 N9 O18 -","- C399.976 H560 B8 Co16 F48 Mn24 N72 O144 -","8","1","","Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.","Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1033","1046","10.1039/c1dt11513h","","","0.71073","MoKα","","0.1045","0.0869","","","0.1762","0.1855","","","","","","1.129","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7017929","8.6051","0.0003","8.4972","0.0004","17.8843","0.001","90","","90","","90","","1307.69","0.11","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-diphenylpiperazine","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","0.5","","Wirth, Stefan; Barth, Florian; Lorenz, Ingo-Peter","1,4-Bis(4-nitrosophenyl)piperazine: novel bridging ligand in dinuclear complexes of rhodium(iii) and iridium(iii).","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2176","2186","10.1039/c1dt11696g","","x-ray","0.71073","MoKα","","0.0704","0.0425","","","0.1082","0.1259","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018018","23.4963","0.0006","8.2208","0.0003","29.2604","0.0008","90","","90","","90","","5651.9","0.3","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H72 N4 Ni O16 P2 S4 -","- C42 H72 N4 Ni O16 P2 S4 -","- C168 H288 N16 Ni4 O64 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Complexation properties of the crown ether-containing N-thiophosphorylated thiourea towards Ni(II).","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1451","1453","10.1039/c1dt11958c","","","0.71073","MoKα","","0.0554","0.0444","","","0.1026","0.108","","","","","","1.106","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018020","12.2968","0.0002","15.1722","0.0001","27.7363","0.0003","90","","90","","90","","5174.75","0.11","180","2","180","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H31 Cl2 F3 O3 P4 Pd2 S2 -","- C12 H31 Cl2 F3 O3 P4 Pd2 S2 -","- C96 H248 Cl16 F24 O24 P32 Pd16 S16 -","8","1","","Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1991","2002","10.1039/c1dt11961c","","","0.71073","MoKα","","0.0434","0.0344","","","0.085","0.0886","","","","","","1.155","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018046","19.706","0.004","14.974","0.003","19.76","0.003","90","","90","","90","","5830.7","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H66 Mg3 N8 O24 -","- C32 H30 Mg3 N4 O20 -","- C128 H120 Mg12 N16 O80 -","4","0.5","","Wang, Hai-Ning; Meng, Xing; Wang, Xin-Long; Yang, Guang-Sheng; Su, Zhong-Min","Auxiliary ligand induced structural allomorphism in nanotubular microporous metal-organic frameworks based on discrete magnesium clusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2231","2233","10.1039/c2dt11872f","","","0.71069","MoKα","","0.1626","0.1199","","","0.2767","0.2962","","","","","","1.006","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018049","10.471","0.0002","12.1167","0.0002","35.1416","0.0007","90","","90","","90","","4458.55","0.14","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H44 Al N O -","- C21 H44 Al N O -","- C168 H352 Al8 N8 O8 -","8","1","","Crosbie, Elaine; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","After-effects of lithium-mediated alumination of 3-iodoanisole: isolation of molecular salt elimination and trapped-benzyne products.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1832","1839","10.1039/c2dt11893a","","","0.71073","MoKα","","0.0824","0.0559","","","0.104","0.1126","","","","","","1.092","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018060","14.3806","0.0005","8.3655","0.0003","26.4698","0.0009","90","","90","","90","","3184.34","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 B2 N4 -","- C16 H20 B2 N4 -","- C128 H160 B16 N32 -","8","1","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.0612","0.0409","","","0.0968","0.1075","","","","","","0.957","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018064","9.7678","0.0018","10.1822","0.0018","27.337","0.005","90","","90","","90","","2718.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H24 B2 N4 -","- C12 H24 B2 N4 -","- C96 H192 B16 N32 -","8","1","","Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.","Diborane(4) compounds with bidentate diamino groups.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","2140","2147","10.1039/c2dt11936f","","","0.71073","MoKα","","0.1085","0.0538","","","0.1451","0.1861","","","","","","1.035","","","","has coordinates,has disorder","179884","2020-10-21","18:00:00",""
"7018090","17.549","0.003","12.607","0.003","24.921","0.005","90","","90","","90","","5514","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N6 O8 Zn -","- C28 H20 N6 O8 Zn -","- C224 H160 N48 O64 Zn8 -","8","1","","Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2677","2684","10.1039/c1dt11654a","","","0.71073","MoKα","","0.1139","0.0691","","","0.1788","0.195","","","","","","1.054","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018099","5.8486","0.0017","21.983","0.007","22.637","0.006","90","","90","","90","","2910.4","1.5","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Br Te -","- C18 H13 Br Te -","- C144 H104 Br8 Te8 -","8","1","","Aschenbach, Lara K.; Knight, Fergus R.; Randall, Rebecca A. M.; Cordes, David B.; Baggott, Alex; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: A structural and computational investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3141","3153","10.1039/c1dt11697e","","","0.71075","MoKα","","","0.0703","","","","0.2862","","","","","","1.284","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018122","14.8346","0.0005","16.8936","0.0006","24.356","0.0008","90","","90","","90","","6103.9","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H48 Cl2 Cu N4 O8 -","- C20 H48 Cl2 Cu N4 O8 -","- C160 H384 Cl16 Cu8 N32 O64 -","8","1","","Sarma, Moushumi; Mondal, Biplab","Nitric oxide reactivity of copper(ii) complexes of bidentate amine ligands: effect of substitution on ligand nitrosation.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2927","2934","10.1039/c2dt11082b","","","0.71073","MoKα","","0.1379","0.056","","","0.1241","0.1508","","","","","","1.006","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018148","8.1197","0.0004","12.0404","0.0006","21.9277","0.0011","90","","90","","90","","2143.75","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Co2 O9 S -","- C8 H6 Co2 O9 S -","- C64 H48 Co16 O72 S8 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0278","0.0236","","","0.0616","0.0638","","","","","","1.054","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018149","8.3817","0.0007","12.2159","0.001","22.1945","0.0018","90","","90","","90","","2272.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn2 O9 S -","- C8 H6 Mn2 O9 S -","- C64 H48 Mn16 O72 S8 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0514","0.0363","","","0.0792","0.085","","","","","","1.065","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018150","8.1269","0.0002","11.984","0.0002","22.0101","0.0004","90","","90","","90","","2143.62","0.07","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 O9 S Zn2 -","- C8 H6 O9 S Zn2 -","- C64 H48 O72 S8 Zn16 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0372","0.0268","","","0.0601","0.0639","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018151","7.3596","0.0003","14.5732","0.0007","22.8091","0.001","90","","90","","90","","2446.34","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O10 S Zn2 -","- C8 H8 O10 S Zn2 -","- C64 H64 O80 S8 Zn16 -","8","1","","Ren, Yi-Xia; Xiao, Shan-Shan; Zheng, Xiang-Jun; Li, Li-Cun; Jin, Lin-Pei","Self-assembly, crystal structures, and properties of metal-2-sulfoterephthalate frameworks based on [M(4)(μ(3)-OH)(2)](6+) clusters (M = Co, Mn, Zn and Cd).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2639","2647","10.1039/c2dt11532h","","","0.71073","MoKα","","0.0795","0.0413","","","0.0732","0.0858","","","","","","0.986","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018158","14.972","0.003","8.592","0.005","21.434","0.004","90","","90","","90","","2757.3","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H7 Dy O7 -","- C15 H7 Dy O7 -","- C120 H56 Dy8 O56 -","8","1","","Lama, Prem; Sañudo, E Carolina; Bharadwaj, Parimal K.","Coordination polymers of Mn(2+) and Dy(3+) ions built with a bent tricarboxylate: Metamagnetic and weak anti-ferromagnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2012","41","10","2979","2985","10.1039/c2dt11626j","","","0.71073","MoKα","","0.052","0.0382","","","0.0978","0.1279","","","","","","1.195","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018198","14.3388","0.0007","6.9545","0.0004","33.6884","0.0018","90","","90","","90","","3359.4","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N3 O2 P S2 -","- C12 H20 N3 O2 P S2 -","- C96 H160 N24 O16 P8 S16 -","8","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann","N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","11","3223","3232","10.1039/c2dt11862a","","","0.71073","MoKα","","0.0697","0.0403","","","0.0896","0.103","","","","","","1.013","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018242","14.295","0.002","23.9333","0.001","24.0891","0.0015","90","","90","","90","","8241.5","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H57 Fe I N4 -","- C45 H57 Fe I N4 -","- C360 H456 Fe8 I8 N32 -","8","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.0504","0.0303","","","0.0701","0.0749","","","","","","0.924","","","","has coordinates","179886","2020-10-21","18:00:00",""
"7018445","8.9542","0.0004","9.4374","0.0004","21.4718","0.001","90","","90","","90","","1814.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H13 N O4 P Zn -","- C6 H11 N O4 P Zn -","- C48 H88 N8 O32 P8 Zn8 -","8","1","","Perry, Houston P.; Gagnon, Kevin J.; Law, Justin; Teat, Simon; Clearfield, Abraham","Divalent metal phosphonate coordination polymers constructed from a dipiperidine-based bisphosphonate ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","3985","3994","10.1039/c2dt11986b","","","0.71073","MoKα","","0.0584","0.0398","","","0.1035","0.1228","","","","","","1.187","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018467","15.732","0.0006","10.8906","0.0004","16.5008","0.0006","90","","90","","90","","2827.1","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl Cu N2 -","- C13 H18 Cl Cu N2 -","- C104 H144 Cl8 Cu8 N16 -","8","1","","Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.","N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4413","4422","10.1039/c2dt11998f","","","0.71073","MoKα","","0.0483","0.0329","","","0.1202","0.1351","","","","","","1.015","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018592","15.1661","0.001","17.9439","0.0012","26.005","0.0018","90","","90","","90","","7077","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H26 Cl2 N4 O6 Pd2 S2 -","- C37 H26 Cl2 N4 O6 Pd2 S2 -","- C296 H208 Cl16 N32 O48 Pd16 S16 -","8","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Kapdi, Anant R.; Naik, Minal; Pednekar, Suhas; Pérez, José; García, Luis; Pérez, Eduardo; Serrano, J. Luis","Novel saccharinate-bridged palladium complexes for efficient C-O bond activation displaying promising luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3832","3842","10.1039/c2dt12187e","","","0.71073","MoKα","","0.051","0.0488","","","0.0897","0.0908","","","","","","1.417","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018652","9.462","0.0019","12.156","0.002","18.508","0.004","90","","90","","90","","2128.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H18 Cl3 N3 O -","- C5 H18 Cl3 N3 O -","- C40 H144 Cl24 N24 O8 -","8","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotronradiation","","0.0545","0.0512","","","0.1403","0.1441","","","","","","1.062","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018758","9.8069","0.0001","16.2228","0.0002","27.3337","0.0003","90","","90","","90","","4348.67","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N2 O9 Ru3 -","- C16 H10 N2 O9 Ru3 -","- C128 H80 N16 O72 Ru24 -","8","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Pruneda, Vanessa","Deprotonation of C-alkyl groups of cationic N-heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4313","4315","10.1039/c2dt30246b","","","1.54184","CuKα","","0.0359","0.0326","","","0.0856","0.0884","","","","","","1.053","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018776","18.3489","0.0002","18.8537","0.0002","21.0286","0.0002","90","","90","","90","","7274.73","0.13","140","1","140","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","[N(CH3)4][{(C6F5)3B}NTiCl2(NH(CH3)2)], CH2Cl2","","","- C27 H28 B Cl4 F15 N4 Ti -","- C27 H28 B Cl4 F15 N4 Ti -","- C216 H224 B8 Cl32 F120 N32 Ti8 -","8","1","","Fuller, Anna-Marie; Hughes, David L.; Jones, Garth A.; Lancaster, Simon J.","The structure and chemistry of tris(pentafluorophenyl)borane protected mononuclear nitridotitanium complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5599","5609","10.1039/c2dt00056c","","","0.71073","Mo-Kα","","0.0775","0.054","","","0.1349","0.1463","","","","","","1.079","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018784","20.2076","0.0006","15.5977","0.0005","31.7601","0.001","90","","90","","90","","10010.5","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 H54 Cl4 Cu2 N16 O32 -","- C96 H54 Cl4 Cu2 N16 O32 -","- C384 H216 Cl16 Cu8 N64 O128 -","4","0.5","","Kong, Ling-Wei; Ma, Ming-Liang; Wu, Liang-Chun; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Carboxylic acid functionalized ortho-linked oxacalix[2]benzene[2]pyrazine: synthesis, structure, hydrogen bond and metal directed self-assembly.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5625","5633","10.1039/c2dt11283c","","","0.71073","MoKα","","0.101","0.0787","","","0.2244","0.2534","","","","","","1.055","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018806","17.5292","0.0007","24.6971","0.001","26.766","0.0011","90","","90","","90","","11587.5","0.8","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C67 H60 B Cl2 Cu F4 N2 P2 -","- C67 H60 B Cl2 Cu F4 N2 P2 -","- C536 H480 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Li, Lidong; Lopes, Patrícia S; Rosa, Vitor; Figueira, Cláudia A; Lemos, M Amélia N D A; Duarte, M. Teresa; Avilés, Teresa; Gomes, Pedro T.","Synthesis and structural characterisation of (aryl-BIAN)copper(i) complexes and their application as catalysts for the cycloaddition of azides and alkynes.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5144","5154","10.1039/c2dt11854h","","x-ray","0.71073","MoKα","","0.0795","0.0435","","","0.1178","0.1328","","","","","","1.07","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018832","10.463","0.001","19.225","0.002","33.429","0.003","90","","90","","90","","6724.3","1.1","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(2,6-diisopropylphenyl)imido-bis(tert-butylamino)- molybdenum","","- C32 H54 Mo N4 -","- C32 H54 Mo N4 -","- C256 H432 Mo8 N32 -","8","1","","Wright, William R. H.; Batsanov, Andrei S.; Messinis, Antonis M.; Howard, Judith A. K.; Tooze, Robert P.; Hanton, Martin J.; Dyer, Philip W.","Application of molybdenum bis(imido) complexes in ethylene dimerisation catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5502","5511","10.1039/c2dt12061e","","","0.71073","MoKα","","0.0502","0.0334","","","0.075","0.079","","","","","","0.978","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018855","9.0407","0.0002","14.913","0.0003","40.8653","0.0007","90","","90","","90","","5509.62","0.19","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 N2 P Pd S -","- C30 H23 Cl2 N2 P Pd S -","- C240 H184 Cl16 N16 P8 Pd8 S8 -","8","1","","Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu","Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5351","5361","10.1039/c2dt12243j","","","0.71073","MoKα","","0.0355","0.0296","","","0.0624","0.0691","","","","","","1.216","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018860","9.7767","0.001","8.9439","0.0009","20.868","0.002","90","","90","","90","","1824.7","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N4 Tl -","- C8 H7 N4 Tl -","- C64 H56 N32 Tl8 -","8","1","","Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa","Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles","Dalton Transactions","2012","41","19","5848","","10.1039/c2dt12259f","","","0.71073","MoKα","","0.0363","0.0295","","","0.0748","0.079","","","","","","1.032","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018914","18.5287","0.0005","15.2433","0.0004","13.3682","0.0003","90","","90","","90","","3775.69","0.17","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H20 B2 F8 Ni O2 S4 -","- C8 H20 B2 F8 Ni O2 S4 -","- C64 H160 B16 F64 Ni8 O16 S32 -","8","1","","Churchard, Andrew J.; Derzsi, Mariana; Jagličić, Zvonko; Remhof, Arndt; Grochala, Wojciech","Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS(4))(BF(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5172","5176","10.1039/c2dt12468h","powder diffraction","","0.80035","synchrotron","","","","","","","","","","0.0435","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018915","16.1254","0.0003","15.2621","0.0003","13.2577","0.0003","90","","90","","90","","3262.82","0.12","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 B2 F8 Ni S4 -","- C8 H16 B2 F8 Ni S4 -","- C64 H128 B16 F64 Ni8 S32 -","8","1","","Churchard, Andrew J.; Derzsi, Mariana; Jagličić, Zvonko; Remhof, Arndt; Grochala, Wojciech","Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni(12aneS(4))(BF(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5172","5176","10.1039/c2dt12468h","powder diffraction","","0.80035","synchrotron","","","","","","","","","","0.0136","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018927","19.306","0.006","17.072","0.005","22.603","0.006","90","","90","","90","","7450","4","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 N4 O3 P Si4 W -","- C24 H63 N4 O3 P Si4 W -","- C192 H504 N32 O24 P8 Si32 W8 -","8","1","","Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Lis, Tadeusz; Khavryuchenko, Oleksiy V.; Rusanov, Eduard B.; Brusilovets, Anatolii I.","Reaction of N[triple bond, length as m-dash]W(O(t)Bu)(3) with σ(3)λ(5)-phosphoranes. The [2 + 2] cycloaddition across the W[triple bond, length as m-dash]N triple bond results in the first representative of an inorganic four-membered metallacycle with conjugated endo- and exocyclic double bonds.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5132","5136","10.1039/c2dt12492k","","","0.71073","MoKα","","0.0286","0.0175","","","0.0379","0.0388","","","","","","1.016","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018949","21.434","0.004","17.448","0.003","21.475","0.004","90","","90","","90","","8031","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H36 B2 Cl Co F2 N7 O6 -","- C40 H36 B2 Cl Co F2 N7 O6 -","- C320 H288 B16 Cl8 Co8 F16 N56 O48 -","8","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.1351","0.0871","","","0.1724","0.1941","","","","","","0.997","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018954","19.4036","0.0003","18.7413","0.0002","23.7872","0.0003","90","","90","","90","","8650.2","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Cl6 Co N8 O3 Pd3 -","- C36 H24 Cl6 Co N8 Pd3 -","- C288 H192 Cl48 Co8 N64 Pd24 -","8","1","","Yang, Fu-Ming; Chen, Po-Yuan; Lee, Chun-Chin; Liu, Yi-Hung; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung","A water soluble and air-stable tripalladium cluster","Dalton Transactions","2012","41","19","5782","","10.1039/c2dt30079f","","","0.71073","MoKα","","0.0361","0.0241","","","0.0654","0.0677","","","","","","0.915","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019066","14.144","0.003","16.386","0.0017","19.049","0.002","90","","90","","90","","4414.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cl2 O4 Ti -","- C24 H18 Cl2 O4 Ti -","- C192 H144 Cl16 O32 Ti8 -","8","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.77488","Synchrotron","","0.0345","0.0328","","","0.0837","0.0849","","","","","","1.04","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019070","13.628","0.0007","13.154","0.0008","13.825","0.003","90","","90","","90","","2478.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 O3 Ti -","- C7 H15 Cl3 O3 Ti -","- C56 H120 Cl24 O24 Ti8 -","8","1","","Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.","Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6625","6633","10.1039/c2dt11737a","","","0.77488","Synchrotron","","0.0275","0.0265","","","0.0671","0.0677","","","","","","1.063","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019073","13.1852","0.0005","18.4105","0.0007","22.4888","0.0009","90","","90","","90","","5459.1","0.4","103","0.1","103","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 Cl Fe N3 -","- C32 H36 Cl Fe N3 -","- C256 H288 Cl8 Fe8 N24 -","8","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; de Kock, Carmen; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,2-Disubstituted ferrocenyl carbohydrate chloroquine conjugates as potential antimalarial agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6431","6442","10.1039/c2dt12050j","","","0.71073","MoKα","","0.0462","0.0334","","","0.0865","0.0958","","","","","","1.045","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019086","9.645","0.0006","19.0589","0.0011","21.292","0.0012","90","","90","","90","","3914","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Ag N3 O3 -","- C21 H22 Ag N3 O3 -","- C168 H176 Ag8 N24 O24 -","8","1","","McCann, Malachy; Curran, Robert; Ben-Shoshan, Marcia; McKee, Vickie; Tahir, Asif Ali; Devereux, Michael; Kavanagh, Kevin; Creaven, Bernadette S.; Kellett, Andrew","Silver(i) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","21","6516","6527","10.1039/c2dt12166b","","","0.71073","MoKα","","0.041","0.028","","","0.0665","0.0723","","","","","","1.027","","","","has coordinates","179894","2020-10-21","18:00:00",""
"7019132","8.6889","0.0006","11.8941","0.0008","26.4305","0.0018","90","","90","","90","","2731.5","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cyclophosphazene","","","- C5 H13 Cl2 N4 O3 P3 -","- C5 H13 Cl2 N4 O3 P3 -","- C40 H104 Cl16 N32 O24 P24 -","8","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.0292","0.0282","","","0.0693","0.0699","","","","","","1.16","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019165","49.3489","0.0008","18.528","0.0004","18.4705","0.0005","90","","90","","90","","16888.3","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H69 Cl2 Co2 Eu3 N12 O48 -","- C72 H68 Cl2 Co2 Eu3 N12 O48 -","- C576 H544 Cl16 Co16 Eu24 N96 O384 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.1003","0.0672","","","0.1602","0.1709","","","","","","1.065","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7019166","49.0783","0.001","18.7144","0.0003","18.5617","0.0004","90","","90","","90","","17048.4","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H63 Cl2 Co2 Gd3 N12 O45 -","- C72 H60.5 Cl2 Co2 Gd3 N12 O45 -","- C576 H484 Cl16 Co16 Gd24 N96 O360 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0914","0.0563","","","0.1266","0.1354","","","","","","1.038","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019167","49.0712","0.0007","18.5625","0.0003","18.3672","0.0003","90","","90","","90","","16730.4","0.5","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H66 Cl2 Co2 N12 O46.5 Tb3 -","- C72 H65 Cl2 Co2 N12 O46.5 Tb3 -","- C576 H520 Cl16 Co16 N96 O372 Tb24 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0955","0.062","","","0.1184","0.1257","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019168","48.8513","0.0005","18.5561","0.0003","18.3965","0.0003","90","","90","","90","","16676.2","0.4","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H69 Cl2 Co2 Dy3 N12 O48 -","- C72 H68 Cl2 Co2 Dy3 N12 O48 -","- C576 H544 Cl16 Co16 Dy24 N96 O384 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.1196","0.1001","","","0.1875","0.1943","","","","","","1.191","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019169","48.617","0.0011","18.6939","0.0005","18.6061","0.0003","90","","90","","90","","16910","0.7","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H68 Cl2 Co2 Ho3 N12 O47.5 -","- C72 H59 Cl2 Co2 Ho3 N12 O47.5 -","- C576 H472 Cl16 Co16 Ho24 N96 O380 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0932","0.0489","","","0.0988","0.1075","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019170","48.374","0.016","18.507","0.006","18.426","0.006","90","","90","","90","","16496","9","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H69 Cl2 Co2 N12 O48 Tm3 -","- C72 H66 Cl2 Co2 N12 O48 Tm3 -","- C576 H528 Cl16 Co16 N96 O384 Tm24 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0571","0.0543","","","0.1079","0.1091","","","","","","1.175","","","","has coordinates,has disorder","179895","2020-10-21","18:00:00",""
"7019171","49.3489","0.0008","18.528","0.0004","18.4705","0.0005","90","","90","","90","","16888.3","0.6","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H67.5 Cl2 Co2 Lu3 N12 O47.25 -","- C72 H64 Cl2 Co2 Lu3 N12 O47.25 -","- C576 H512 Cl16 Co16 Lu24 N96 O378 -","8","1","","Fang, Ming; Shi, Peng-Fei; Zhao, Bin; Jiang, Dong-Xue; Cheng, Peng; Shi, Wei","A series of 3d-4f heterometallic three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6820","6826","10.1039/c2dt30391d","","","0.71073","MoKα","","0.0797","0.0605","","","0.1019","0.1093","","","","","","1.123","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7019192","8.562","0.0012","26.689","0.004","26.774","0.004","90","","90","","90","","6118.2","1.6","148","2","148","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","CuOTf","","","- C26 H22 Cu F6 N2 O9 S2 -","- C26 H22 Cu F6 N2 O9 S2 -","- C208 H176 Cu8 F48 N16 O72 S16 -","8","1","","Dawsey, Anna C.; Li, Vincent; Hamilton, Kimberly C.; Wang, Jianmei; Williams, Travis J.","Copper-catalyzed oxidation of azolines to azoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7994","8002","10.1039/c2dt00025c","","","0.71073","MoKα","","0.1327","0.0588","","","0.121","0.1452","","","","","","1.01","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019213","12.169","0.002","14.549","0.003","15.315","0.003","90","","90","","90","","2711.5","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N4 O8 Sr -","- C8 H14 N4 O8 Sr -","- C64 H112 N32 O64 Sr8 -","8","1","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.067","0.045","","","0.0801","0.0904","","","","","","1.1","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019226","9.604","0.0019","19.709","0.004","22.573","0.005","90","","90","","90","","4272.7","1.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H32 Cl N Ni O P2 -","- C17 H32 Cl N Ni O P2 -","- C136 H256 Cl8 N8 Ni8 O8 P16 -","8","1","","Li, Junye; Wang, Chenggen; Li, Xiaoyan; Sun, Hongjian","C-Cl bond activation of ortho-chlorinated benzamides by nickel and cobalt compounds supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8715","8722","10.1039/c2dt12395a","","","0.71073","MoKα","","0.061","0.0515","","","0.129","0.1342","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019275","13.469","0.0011","13.3584","0.0012","20.0722","0.0014","90","","90","","90","","3611.5","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H25 Cl Co N7 O6 -","- C12 H25 Cl Co N7 O6 -","- C96 H200 Cl8 Co8 N56 O48 -","8","1","","Evangelio, Emi; Rath, Nigam P.; Mirica, Liviu M.","Cycloaddition reactivity studies of first-row transition metal-azide complexes and alkynes: an inorganic click reaction for metalloenzyme inhibitor synthesis.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8010","8021","10.1039/c2dt30145h","","","0.71073","MoKα","","0.0734","0.0374","","","0.0725","0.0853","","","","","","1.04","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019301","10.0652","0.0005","17.6932","0.0009","20.9964","0.0011","90","","90","","90","","3739.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cr I N2 -","- C20 H21 Cr I N2 -","- C160 H168 Cr8 I8 N16 -","8","1","","Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M.","Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7920","7930","10.1039/c2dt30160a","","","0.71073","MoKα","","0.0216","0.0169","","","0.0412","0.044","","","","","","1.073","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019310","15.192","0.003","18.558","0.004","22.275","0.004","90","","90","","90","","6280","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H28 Bi Cl3 N4 -","- C35 H28 Bi Cl3 N4 -","- C280 H224 Bi8 Cl24 N32 -","8","1","","Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.","Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene ""clamshell"" ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7890","7896","10.1039/c2dt30171g","","","0.71073","MoKα","","0.0737","0.044","","","0.1085","0.1367","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019324","9.344","0.0006","41.835","0.003","30.0493","0.0018","90","","90","","90","","11746.5","1.3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H52 Cd Cu N6 O12 -","- C48 H24 Cd Cu N4 O7 -","- C384 H192 Cd8 Cu8 N32 O56 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.1097","0.0991","","","0.2592","0.2683","","","","","","1.067","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019325","30.1991","0.0009","9.2075","0.0003","41.8863","0.0013","90","","90","","90","","11646.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H52 Cd Co N6 O12 -","- C48 H26 Cd Co N4 O9 -","- C384 H208 Cd8 Co8 N32 O72 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.0939","0.083","","","0.2265","0.238","","","","","","1.077","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019326","30.1121","0.0014","9.2525","0.0004","41.8531","0.0015","90","","90","","90","","11660.8","0.9","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55.75 H49.25 Cd Fe N5.75 O11.75 -","- C48 H24 Cd Fe N4 O9 -","- C384 H192 Cd8 Fe8 N32 O72 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.1661","0.1441","","","0.33","0.3531","","","","","","1.029","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019327","59.431","0.002","9.3517","0.0004","41.7871","0.0017","90","","90","","90","","23224.5","1.6","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C105.5 H76 Cd2 N10 Ni2 O20.5 -","- C96 H52 Cd2 N8 Ni1.121 O18 -","- C768 H416 Cd16 N64 Ni8.968 O144 -","8","1","","Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.","A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7855","7858","10.1039/c2dt30184a","","","1.54184","CUKα","","0.1582","0.1341","","","0.3052","0.3175","","","","","","1.524","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019367","24.5716","0.0011","20.4781","0.001","24.971","0.0012","90","","90","","90","","12564.9","1","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H92 Cl2 Li N2 O6 S U -","- C59 H92 Cl2 Li N2 O6 S U -","- C472 H736 Cl16 Li8 N16 O48 S8 U8 -","8","1","","Vidjayacoumar, Balamurugan; Ilango, Sougandi; Ray, Matthew J.; Chu, Terry; Kolpin, Kristopher B.; Andreychuk, Nicholas R.; Cruz, Carlos A.; Emslie, David J. H.; Jenkins, Hilary A.; Britten, James F.","Rigid NON- and NSN-ligand complexes of tetravalent and trivalent uranium: comparison of U-OAr(2) and U-SAr(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8175","8189","10.1039/c2dt30247k","","","0.71073","MoKα","","0.0999","0.0441","","","0.0822","0.0981","","","","","","1.07","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019376","15.151","0.003","17.18","0.004","21.361","0.004","90","","90","","90","","5560","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H43 Br P2 Pd -","- C28 H43 Br P2 Pd -","- C224 H344 Br8 P16 Pd8 -","8","1","","Blanco, Carolina; Godard, Cyril; Zangrando, Ennio; Ruiz, Aurora; Claver, Carmen","Room temperature asymmetric Pd-catalyzed methoxycarbonylation of norbornene: highly selective catalysis and HP-NMR studies.","Dalton transactions (Cambridge, England : 2003)","2012","41","23","6980","6991","10.1039/c2dt30267e","","","0.71073","MoKα","","0.0852","0.0395","","","0.0959","0.1079","","","","","","0.86","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019425","12.1931","0.0007","17.2484","0.0012","22.1135","0.0011","90","","90","","90","","4650.7","0.5","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]-dihydroxy-tetraaqua- tricopper(II) Perchlorate","","- C30 H46 Cl4 Cu3 N20 O22 -","- C30 H46 Cl4 Cu3 N20 O22 -","- C120 H184 Cl16 Cu12 N80 O88 -","4","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.","1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8675","8689","10.1039/c2dt30362k","","","0.71073","MoKα","","0.0625","0.0432","","","0.1053","0.1096","","","","","","0.914","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7019507","9.0465","0.0006","16.5328","0.001","35.937","0.002","90","","90","","90","","5374.9","0.6","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 O Pd -","- C24 H30 Br2 N4 O Pd -","- C192 H240 Br16 N32 O8 Pd8 -","8","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0987","0.0697","","","0.1552","0.1648","","","","","","1.141","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019510","9.048","0.0003","16.4781","0.0006","35.418","0.0014","90","","90","","90","","5280.6","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 Pd -","- C24 H30 Br2 N4 Pd -","- C192 H240 Br16 N32 Pd8 -","8","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0845","0.0647","","","0.1242","0.1314","","","","","","1.199","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019561","18.5793","0.0005","22.1566","0.0006","28.3427","0.0007","90","","90","","90","","11667.4","0.5","123","1","123","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","tetrakis(N,N-dimethyl-N'-(2,3,5,6- tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii) hexane solvate","tetrakis(N,N-dimethyl-N'-(2,3,5,6-tetrafluorophenyl)ethylenediamine -F,N,N')-bis-fluoro-neodymium(iii) hexane solvate","","- C54 H70 F18 N8 Nd2 -","- C48 H56 F18 N8 Nd2 -","- C384 H448 F144 N64 Nd16 -","8","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Kelly, Rory P.; Urbatsch, Aron; Wang, Jun","The effects of light lanthanoid elements (La, Ce, Nd) on (Ar)CF-Ln coordination and C-F activation in N,N-dialkyl-N'-2,3,5,6-tetrafluorophenylethane-1,2-diaminate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8624","8634","10.1039/c2dt30604b","","","0.71073","MoKα","","0.039","0.029","","","0.0723","0.0757","","","","","","1.143","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019563","9.472","0.005","9.871","0.006","32.954","0.017","90","","90","","90","","3081","3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C144 H128 N16 S16 -","8","1","","Song, Li-Cheng; Sun, Xiao-Jing; Zhao, Pei-Hua; Li, Jia-Peng; Song, Hai-Bin","Synthesis, characterization and some properties of mononuclear Ni and trinuclear NiFe(2) complexes related to the active site of [NiFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8941","8950","10.1039/c2dt30609c","","","0.71073","MoKα","","0.0576","0.0471","","","0.1043","0.1111","","","","","","1.08","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019567","18.319","0.0018","8.4965","0.0009","21.474","0.002","90","","90","","90","","3342.4","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Cl2 Cu N12 -","- C30 H36 Cl2 Cu N12 -","- C120 H144 Cl8 Cu4 N48 -","4","0.5","","Sun, Haixia; Xie, Wenli; Lv, Shenghong; Xu, Yan; Wu, Yong; Zhou, Yaoming; Ma, Zhenmao; Fang, Min; Liu, Hong-Ke","Two solvent and temperature dependent copper(ii) compounds formed by a flexible ligand: syntheses, structures and SC-SC transformation.","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7590","7594","10.1039/c2dt30611e","","","0.71073","MoKα","","0.0559","0.0335","","","0.0786","0.0932","","","","","","1.034","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019583","27.275","0.004","10.48","0.003","10.403","0.003","90","","90","","90","","2973.6","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H21 Cl2 N3 Ru S3 -","- C6 H21 Cl2 N3 Ru S3 -","- C48 H168 Cl16 N24 Ru8 S24 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.0728","0.0387","","","0.0846","0.0907","","","","","","0.999","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019584","17.524","0.005","14.026","0.003","12.357","0.003","90","","90","","90","","3037.2","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl N O2 Ru S3 -","- C12 H16 Cl N O2 Ru S3 -","- C96 H128 Cl8 N8 O16 Ru8 S24 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","Mokα","","0.0907","0.0405","","","0.0907","0.104","","","","","","0.898","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019585","8.235","0.003","16.651","0.004","29.04","0.004","90","","90","","90","","3982","1.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H31 Cl2 N3 O3 Ru S2 -","- C11 H31 Cl2 N3 O3 Ru S2 -","- C88 H248 Cl16 N24 O24 Ru8 S16 -","8","1","","Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo","New half sandwich Ru(ii) coordination compounds for anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7358","7371","10.1039/c2dt30654a","","","0.71073","MoKα","","0.0632","0.036","","","0.0757","0.0806","","","","","","0.839","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019595","8.4931","0.0017","22.495","0.005","24.783","0.005","90","","90","","90","","4734.8","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn2(Napth-sao)2(Napth-saoH)2(MeOH)2].4MeOH","","","- C50 H54 Mn2 N4 O14 -","- C50 H54 Mn2 N4 O14 -","- C200 H216 Mn8 N16 O56 -","4","0.5","","Houton, Edel; Taylor, Stephanie M.; Beedle, Christopher C.; Cano, Joan; Piligkos, Stergios; Hill, Stephen; Ryder, Alan G.; Brechin, Euan K.; Jones, Leigh F.","Ferromagnetic exchange in a twisted, oxime-bridged [Mn(III)(2)] dimer.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8340","8347","10.1039/c2dt30674c","","","0.7107","MoKα","","0.0487","0.0384","","","0.0933","0.0984","","","","","","1.133","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019638","14.0378","0.0003","6.2568","0.0001","26.9402","0.0006","90","","90","","90","","2366.2","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H2 B Cl F8 -","- C12 H2 B Cl F8 -","- C96 H16 B8 Cl8 F64 -","8","1","","Winkelhaus, Daniel; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Bis(tetrafluorophenyl)borane.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8609","8614","10.1039/c2dt30924f","","","0.71073","MoKα","","0.041","0.0301","","","0.0792","0.0853","","","","","","1.036","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019655","22.4358","0.0004","21.8856","0.0006","22.5796","0.0005","90","","90","","90","","11087.1","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H90 O13 Si3 Ti -","- C40 H90 O13 Si3 Ti -","- C320 H720 O104 Si24 Ti8 -","8","1","","Dhayal, Veena; Chaudhary, Archana; Choudhary, Banwari Lal; Nagar, Meena; Bohra, Rakesh; Mobin, Shaikh M.; Mathur, Pradeep","Molecular precursors for the preparation of homogenous zirconia-silica materials by hydrolytic sol-gel process in organic media. Crystal structures of [Zr{OSi(O(t)Bu)(3)}(4)(H(2)O)(2)]·2H(2)O and [Ti(O(t)Bu){OSi(O(t)Bu)(3)}(3)].","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9439","9450","10.1039/c2dt12127a","","","0.71073","MoKα","","0.1195","0.0597","","","0.1192","0.1381","","","","","","0.978","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019693","18.5031","0.0008","17.862","0.0008","27.4342","0.0011","90","","90","","90","","9067.1","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H33 B F20 O P Ti -","- C48 H33 B F20 O P Ti -","- C384 H264 B8 F160 O8 P8 Ti8 -","8","1","","Chapman, Andy M.; Wass, Duncan F.","Cationic Ti(iv) and neutral Ti(iii) titanocene-phosphinoaryloxide frustrated Lewis pairs: hydrogen activation and catalytic amine-borane dehydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9067","9072","10.1039/c2dt30168g","","","0.71073","MoKα","","0.0766","0.0436","","","0.0933","0.1092","","","","","","0.984","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019695","18.3571","0.0017","17.9992","0.0019","23.152","0.004","90","","90","","90","","7649.7","1.7","100","","100","","","","","","","","dichloromethane,hexane","3","P b c a","-P 2ac 2ab","61","","1,2-di(fluoren-9'-ylidene)-3,4-di(spiro-9H-fluorene)-cyclobutane dichloromethane solvate","","- C55 H34 Cl2 -","- C55 H34 Cl2 -","- C440 H272 Cl16 -","8","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.1348","0.0651","","","0.1191","0.1437","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019700","13.7855","0.0013","18.3094","0.0012","21.682","0.002","90","","90","","90","","5472.6","0.8","100","","100","","","","","","","","dichloromethane,pentane","4","P b c a","-P 2ac 2ab","61","","1-(1,3-di(tert-butyl)imidazol-3-ium-2-yl)-1-(9H-fluoren-9-yl-8a-ide)- 2,2-di(ethoxycarbonyl)ethane","","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","- C256 H304 N16 O32 -","8","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0669","0.0465","","","0.1162","0.1296","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019703","13.9352","0.0018","18.6325","0.0014","21.797","0.003","90","","90","","90","","5659.5","1.1","100","","100","","","","","","","","diethylether","5","P b c a","-P 2ac 2ab","61","","1-(1,3-di(tert-butyl)imidazol-3-ium-2-yl)-1-(9H-3,6-difluoro- fluoren-9-yl-8a-ide)-2,2-di(ethoxycarbonyl)ethane","","- C32 H36 F2 N2 O4 -","- C32 H36 F2 N2 O4 -","- C256 H288 F16 N16 O32 -","8","1","","Palomas, David; Holle, Sigrid; Inés, Blanca; Bruns, Hans; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of electron poor allenes: formation of completely organic frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2012","41","30","9073","9082","10.1039/c2dt30195d","","","0.71073","MoKα","","0.0881","0.0514","","","0.1081","0.1245","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019761","23.3058","0.0008","22.0317","0.0007","44.8181","0.0014","90","","90","","90","","23012.6","1.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C56 H300 Ce4 Mn8 N20 Na2 O218 Si4 W36 -","- C30 H80 Ce4 Mn8 N7 Na2 O176.5 Si4 W36 -","- C120 H320 Ce16 Mn32 N28 Na8 O706 Si16 W144 -","4","0.5","","Fang, Xikui; McCallum, Kendall; Pratt Iii, Harry D.; Anderson, Travis M.; Dennis, Kevin; Luban, Marshall","A co-crystal of polyoxometalates exhibiting single-molecule magnet behavior: the structural origin of a large magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9867","9870","10.1039/c2dt30451a","","","0.71073","MoKα","","0.0769","0.054","","","0.1369","0.1482","","","","","","1.068","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019782","15.4539","0.0012","18.3795","0.0015","21.2573","0.0016","90","","90","","90","","6037.8","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Cl4 N3 P Ru -","- C30 H34 Cl4 N3 P Ru -","- C240 H272 Cl32 N24 P8 Ru8 -","8","1","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0856","0.0519","","","0.1394","0.1662","","","","","","1.046","","","","has coordinates,has disorder","179901","2020-10-21","18:00:00",""
"7019802","29.0009","0.0004","23.0305","0.0003","29.8285","0.0004","90","","90","","90","","19922.6","0.5","295","2","295","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C62 H59 Cl14 Fe N9 O25 Pr4 Sb12 -","- C62 H59 Cl14 Fe N9 O25 Pr4 Sb12 -","- C496 H472 Cl112 Fe8 N72 O200 Pr32 Sb96 -","8","1","","Hu, Bing; Zou, Guo-Dong; Feng, Mei-Ling; Huang, Xiao-Ying","Inorganic-organic hybrid compounds based on novel lanthanide-antimony oxohalide nanoclusters.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9879","9881","10.1039/c2dt30563a","","","0.71073","MoKα","","0.0751","0.0474","","","0.1371","0.1615","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019823","10.2063","0.0003","6.2946","0.0002","19.7287","0.0006","90","","90","","90","","1267.46","0.07","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,5-bis(1,2-aminotetrazole","5,5-bis(1,2-aminotetrazole","","- C2 H4 N10 -","- C2 H4 N10 -","- C16 H32 N80 -","8","1","","Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg","Amination of energetic anions: high-performing energetic materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9451","9459","10.1039/c2dt30684k","","","0.71073","MoKα","","0.0363","0.0291","","","0.077","0.0813","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019833","18.3323","0.0016","9.2808","0.0008","25.476","0.002","90","","90","","90","","4334.4","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl2 Cu N5 S -","- C21 H19 Cl2 Cu N5 S -","- C168 H152 Cl16 Cu8 N40 S8 -","8","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0504","0.0372","","","0.0883","0.0959","","","","","","1.049","","","","has coordinates,has disorder","179902","2020-10-21","18:00:00",""
"7019834","18.583","0.002","9.5012","0.0011","25.292","0.003","90","","90","","90","","4465.6","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl2 Cu N5 -","- C23 H21 Cl2 Cu N5 -","- C184 H168 Cl16 Cu8 N40 -","8","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.0491","0.0371","","","0.091","0.0976","","","","","","1.051","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019837","17.106","0.003","14.758","0.002","25.087","0.004","90","","90","","90","","6333.2","1.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Cu F6 N7 P -","- C29 H31 Cu F6 N7 P -","- C232 H248 Cu8 F48 N56 P8 -","8","1","","Castillo, Ivan; Ugalde-Saldívar, Víctor M; Rodríguez Solano, Laura A; Sánchez Eguía, Brenda N; Zeglio, Erica; Nordlander, Ebbe","Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N(3) and N(3)S copper complexes with mixed benzimidazole/thioether donors.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9394","9404","10.1039/c2dt30756a","","","0.71073","MoKα","","0.1369","0.0625","","","0.1596","0.2024","","","","","","1.012","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019858","22.7442","0.0013","16.4148","0.0009","23.7362","0.0013","90","","90","","90","","8861.7","0.9","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H60 O7 Sn4 -","- C39 H60 O7 Sn4 -","- C312 H480 O56 Sn32 -","8","1","","Boyle, Timothy J.; Doan, Thu Q.; Steele, Leigh Anna M.; Apblett, Christopher; Hoppe, Sarah M.; Hawthorne, Krista; Kalinich, Robin M.; Sigmund, Wolfgang M.","Tin(ii) amide/alkoxide coordination compounds for production of Sn-based nanowires for lithium ion battery anode materials.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9349","9364","10.1039/c2dt30772c","","","0.71073","MoKα","","0.0413","0.0301","","","0.0938","0.1074","","","","","","0.81","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020078","16.4108","0.0018","14.9438","0.0017","24.393","0.003","90","","90","","90","","5982.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H21 B10 Co -","- C9 H21 B10 Co -","- C144 H336 B160 Co16 -","16","2","","McAnaw, Amelia; Elena Lopez, Maria; Scott, Greig; Ellis, David; McKay, David; Rosair, Georgina M.; Welch, Alan J.","Untethered 4,1,2-MC(2)B(10) supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC(2)B(10) analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C(2)B(11) carboranes and MC(2)B(10) metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10957","10969","10.1039/c2dt31283b","","","0.71073","MoKα","","0.1162","0.0626","","","0.1264","0.1436","","","","","","1.064","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020085","15.1341","0.0004","13.707","0.0004","18.8277","0.0005","90","","90","","90","","3905.68","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Eu N7 O11 -","- C15 H10 Eu N7 O11 -","- C120 H80 Eu8 N56 O88 -","8","1","","de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.","Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11212","11218","10.1039/c2dt31308a","","","0.71073","MoKα","","0.0381","0.0298","","","0.074","0.0823","","","","","","1.078","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020086","15.125","0.003","13.776","0.003","18.716","0.004","90","","90","","90","","3899.7","1.4","293","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N7 O11 Tb -","- C15 H10 N7 O11 Tb -","- C120 H80 N56 O88 Tb8 -","8","1","","de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.","Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11212","11218","10.1039/c2dt31308a","","","0.71073","MoKα","","0.0311","0.0273","","","0.0959","0.1025","","","","","","0.876","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020109","20.69","0.018","8.069","0.007","23.51","0.02","90","","90","","90","","3925","6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis-(Triphenylphosphine)dinitro-palladium(II)","","","- C38 H34 Cl4 N2 O4 P2 Pd -","- C38 H34 Cl4 N2 O4 P2 Pd -","- C152 H136 Cl16 N8 O16 P8 Pd4 -","4","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7749","synchrotron","","0.0645","0.056","","","0.1514","0.1627","","","","","","1.007","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020110","20.629","0.01","7.985","0.004","23.339","0.012","90","","90","","90","","3844","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis-(Triphenylphosphine)dinitro-palladium(II)","","","- C38 H34 Cl4 N2 O4 P2 Pd -","- C38 H34 Cl4 N2 O4 P2 Pd -","- C152 H136 Cl16 N8 O16 P8 Pd4 -","4","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7749","synchrotron","","0.0482","0.0391","","","0.1015","0.1089","","","","","","1.062","","","","has coordinates,has disorder","179905","2020-10-21","18:00:00",""
"7020113","20.471","0.005","7.953","0.005","23.261","0.005","90","","90","","90","","3787","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis-(Triphenylphosphine)dinitro-platinum(II)","","","- C38 H34 Cl4 N2 O4 P2 Pt -","- C38 H34 Cl4 N2 O4 P2 Pt -","- C152 H136 Cl16 N8 O16 P8 Pt4 -","4","0.5","","Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.","Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13173","13179","10.1039/c2dt30314k","","","0.7107","MoKα","","0.0728","0.0185","","","0.0298","0.0338","","","","","","0.765","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020183","14.8307","0.0002","12.1463","0.0002","19.8806","0.0003","90","","90","","90","","3581.25","0.09","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane- 1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","","- C12 H11 Fe2 N2 O5 P S2 -","- C12 H11 Fe2 N2 O5 P S2 -","- C96 H88 Fe16 N16 O40 P8 S16 -","8","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.057","0.0336","","","0.064","0.0702","","","","","","1.014","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020184","12.2078","0.001","11.951","0.001","25.326","0.002","90","","90","","90","","3694.9","0.5","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl(pyrazine-1,3-dithiolato- κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","","- C12 H20 Fe N2 O2 P2 S2 -","- C12 H20 Fe N2 O2 P2 S2 -","- C96 H160 Fe8 N16 O16 P16 S16 -","8","1","","Gao, Shang; Fan, Jiangli; Sun, Shiguo; Song, Fengling; Peng, Xiaojun; Duan, Qian; Jiang, Dayong; Liang, Qingcheng","Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12064","12074","10.1039/c2dt30934c","","","0.71073","MoKα","","0.0348","0.0288","","","0.0696","0.0727","","","","","","1.094","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020278","8.936","0.0003","15.3904","0.0005","26.8164","0.0009","90","","90","","90","","3688","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H38 N4 -","- C50 H38 N4 -","- C200 H152 N16 -","4","0.5","","Bozic-Weber, Biljana; Chaurin, Valerie; Constable, Edwin C.; Housecroft, Catherine E.; Meuwly, Markus; Neuburger, Markus; Rudd, Jennifer A.; Schönhofer, Ewald; Siegfried, Liselotte","Exploring copper(i)-based dye-sensitized solar cells: a complementary experimental and TD-DFT investigation.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14157","14169","10.1039/c2dt31159c","","","1.54178","CuKα","","0.0629","0.0478","","0.0554","0.0384","0.0384","","","","","","1.041","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020297","10.7762","0.0005","17.3586","0.0008","33.5473","0.0016","90","","90","","90","","6275.3","0.5","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C29 H30 B10 Fe O3 P2 -","- C29 H30 B10 Fe O3 P2 -","- C232 H240 B80 Fe8 O24 P16 -","8","1","","Karnahl, Michael; Tschierlei, Stefanie; Erdem, Özlen F; Pullen, Sonja; Santoni, Marie-Pierre; Reijerse, Edward J.; Lubitz, Wolfgang; Ott, Sascha","Mixed-valence [Fe(I)Fe(II)] hydrogenase active site model complexes stabilized by a bidentate carborane bis-phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12468","12477","10.1039/c2dt31192e","","","0.71073","MoKα","","0.059","0.0337","","","0.0813","0.093","","","","","","0.929","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020396","9.2981","0.0001","19.2885","0.0002","35.5339","0.0004","90","","90","","90","","6372.88","0.12","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Ce I O -","- C36 H48 Ce I O -","- C288 H384 Ce8 I8 O8 -","8","1","","Ransom, Paul; Arnold, Thomas A. Q.; Thompson, Amber L.; Buffet, Jean-Charles; O'Hare, Dermot","Synthesis and characterisation of the ethylene bridged permethylindenyl cerium complex [(EBI*)CeI(THF)].","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11267","11269","10.1039/c2dt31439h","","","0.71073","MoKα","","0.0894","0.0449","","0.1222","0.0936","0.1222","","","","","","0.9596","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020414","15.2331","0.0011","11.0731","0.001","21.585","0.002","90","","90","","90","","3640.9","0.5","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 B Fe2 O2 P -","- C18 H24 B Fe2 O2 P -","- C144 H192 B8 Fe16 O16 P8 -","8","1","","Alvarez, M. Angeles; García, M Esther; González, Rocío; Ruiz, Miguel A.","Reactions of the phosphinidene-bridged complexes [Fe(2)(η(5)-C(5)H(5))(2)(μ-PR)(μ-CO)(CO)(2)] (R = Cy, Ph) with electrophiles based on p-block elements.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14498","14513","10.1039/c2dt31506h","","x-ray","0.71073","MoKα","","0.0632","0.0385","","","0.0967","0.1212","","","","","","1.176","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020463","17.877","0.001","23.0874","0.0012","24.7589","0.0014","90","","90","","90","","10218.8","1","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H63 Mn N2 O12.5 -","- C52 H62 Mn N2 O12.5 -","- C416 H496 Mn8 N16 O100 -","8","1","","Zhu, Ming-Chang; Dai, Lei; Gao, En-Jun; Lin, Lin; Wang, Bo; Liu, Lei","Synthesis, characterization and cytotoxicity of a carboxylic ligand 2,2-bis(3-phenylpropyl) malonic acid and a corresponding Mn(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13352","13358","10.1039/c2dt31635h","","","","","","0.146","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020548","15.4329","0.0003","15.7352","0.0003","25.7359","0.0005","90","","90","","90","","6249.7","0.2","193","2","193","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C30 H41 Au Cl O P3 -","- C30 H41 Au Cl O P3 -","- C240 H328 Au8 Cl8 O8 P24 -","8","1","","Derrah, Eric J.; Martin, Carmen; Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Coordination of a diphosphine-phosphine oxide to Au, Ag and Rh: when polyfunctionality rhymes with versatility.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14274","14280","10.1039/c2dt31848b","","x-ray","0.71073","MoKα","","0.0735","0.0344","","","0.0753","0.0929","","","","","","1.076","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020592","16.9571","0.0017","14.944","0.0015","19.461","0.002","90","","90","","90","","4931.6","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Cl2 N3 Pd -","- C21 H23 Cl2 N3 Pd -","- C168 H184 Cl16 N24 Pd8 -","8","1","","Guo, Xu-Qing; Wang, Ya-Nong; Wang, Dong; Cai, Li-Hua; Chen, Zhen-Xia; Hou, Xiu-Feng","Palladium, iridium and ruthenium complexes with acyclic imino-N-heterocyclic carbenes and their application in aqua-phase Suzuki-Miyaura cross-coupling reaction and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14557","14567","10.1039/c2dt31989f","","","0.71073","MoKα","","0.0354","0.0313","","","0.0842","0.0875","","","","","","1.122","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020605","21.746","0.005","14.338","0.003","23.216","0.005","90","","90","","90","","7239","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Dy2 N3 O14 -","- C27 H25 Dy2 N3 O14 -","- C216 H200 Dy16 N24 O112 -","8","1","","Jin, Hong-Guang; Hong, Xu-Jia; Li, Jing; Yan, Yuan-Zhao; Liu, Yi-Ting; Xu, Shi-Hai; Cai, Yue-Peng","Temperature-dependent assemblies from a 2-D triple-stranded meso-helical layer to a 3-D chain-layer metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2012","41","47","14239","14243","10.1039/c2dt32234j","","","0.71073","MoKα","","0.1153","0.0649","","","0.1572","0.174","","","","","","1.023","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020709","12.0793","0.0004","13.6685","0.0005","35.3514","0.001","90","","90","","90","","5836.7","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 B2 Cl2 Fe Zr2 -","- C30 H34 B2 Cl2 Fe Zr2 -","- C240 H272 B16 Cl16 Fe8 Zr16 -","8","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.0501","0.0362","","","0.0805","0.0852","","","","","","0.944","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020716","11.7586","0.0006","12.7204","0.0006","23.849","0.0012","90","","90","","90","","3567.2","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H27 B11 N2 Sn -","- C8 H27 B11 N2 Sn -","- C64 H216 B88 N16 Sn8 -","8","1","","Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars","B-N bond formation at stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","753","758","10.1039/c2dt31749d","","","0.71073","MoKα","","0.0476","0.0417","","","0.1013","0.1046","","","","","","1.142","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020717","11.7237","0.0004","12.1615","0.0004","25.9327","0.0009","90","","90","","90","","3697.4","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H31 B11 N2 Sn -","- C8 H31 B11 N2 Sn -","- C64 H248 B88 N16 Sn8 -","8","1","","Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars","B-N bond formation at stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","753","758","10.1039/c2dt31749d","","","0.71073","MoKα","","0.029","0.0254","","","0.0546","0.0558","","","","","","1.164","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020772","10.7468","0.0019","20.78","0.005","29.975","0.006","90","","90","","90","","6694","2","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H59 O P -","- C36 H59 O P -","- C288 H472 O8 P8 -","8","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.106","","","","0.2903","","","","","","0.989","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020787","14.5714","0.001","19.7339","0.0013","33.61","0.002","90","","90","","90","","9664.6","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Co3 F6 N13 O7 P -","- C32 H39 Co3 F6 N13 O7 P -","- C256 H312 Co24 F48 N104 O56 P8 -","8","1","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.1008","0.0537","","","","0.1609","","","","","","0.927","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020793","15.249","0.003","12.623","0.003","25.316","0.005","90","","90","","90","","4873","1.8","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H42 I2 Ni P2 -","- C18 H42 I2 Ni P2 -","- C144 H336 I16 Ni8 P16 -","8","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0518","0.0347","","","0.0678","0.0749","","","","","","1.041","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020810","17.9932","0.0008","11.5546","0.0007","21.7382","0.0011","90","","90","","90","","4519.5","0.4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H62 Fe2 N6 O18 Y2 -","- C32 H62 Fe2 N6 O18 Y2 -","- C128 H248 Fe8 N24 O72 Y8 -","4","0.5","","Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","46","49","10.1039/c2dt32027d","","","0.71073","MoKα","","0.0686","0.0539","","","0.1193","0.1279","","","","","","1.045","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020811","17.968","0.004","11.556","0.002","21.806","0.004","90","","90","","90","","4527.8","1.5","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H62 Dy2 Fe2 N6 O18 -","- C32 H62 Dy2 Fe2 N6 O18 -","- C128 H248 Dy8 Fe8 N24 O72 -","4","0.5","","Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","46","49","10.1039/c2dt32027d","","","0.71073","MoKα","","0.0531","0.0241","","","0.0341","0.036","","","","","","0.861","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020889","16.1661","0.001","9.4408","0.001","21.396","0.004","90","","90","","90","","3265.5","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl2 Fe2 N6 O8 -","- C26 H36 Cl2 Fe2 N6 O8 -","- C104 H144 Cl8 Fe8 N24 O32 -","4","0.5","","Cheaib, Khaled; Martel, David; Clément, Nicolas; Eckes, Fabrice; Kouaho, Stéphanie; Rogez, Guillaume; Dagorne, Samuel; Kurmoo, Mohamedally; Choua, Sylvie; Welter, Richard","Structural, magnetic and optical properties of an Fe(III) dimer bridged by the meridional planar divergent N,N'-bis(salicyl)hydrazide and its photo- and electro-chemistry in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1406","1416","10.1039/c2dt32310a","","","0.71073","MoKα","","0.1031","0.0552","","","0.128","0.1629","","","","","","1.071","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020905","17.0543","0.0017","15.1828","0.0016","23.843","0.003","90","","90","","90","","6173.7","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H32 Cl4 I N3 O2 Ru -","- C29 H32 Cl4 I N3 O2 Ru -","- C232 H256 Cl32 I8 N24 O16 Ru8 -","8","1","","Barbasiewicz, Michał; Błocki, Krzysztof; Malińska, Maura; Pawłowski, Robert","Intriguing substituent effect in modified Hoveyda-Grubbs metathesis catalysts incorporating a chelating iodo-benzylidene ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","355","358","10.1039/c2dt32422a","","","0.71073","MoKα","","0.0391","0.0313","","","0.0866","0.0928","","","","","","1.067","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020940","9.411","0.005","16.39","0.008","37.968","0.019","90","","90","","90","","5856","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Fe N O7 -","- C31 H36 Fe N O7 -","- C248 H288 Fe8 N8 O56 -","8","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.132","0.0659","","","0.1266","0.1454","","","","","","1.007","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020941","9.556","0.002","16.496","0.004","38.041","0.009","90","","90","","90","","5997","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H40 Fe N O7 -","- C32 H40 Fe N O7 -","- C256 H320 Fe8 N8 O56 -","8","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.0572","0.0466","","","0.1032","0.1078","","","","","","1.106","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020942","9.4671","0.001","16.4024","0.0017","37.998","0.004","90","","90","","90","","5900.4","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N O8 -","- C31 H37 Fe N O8 -","- C248 H296 Fe8 N8 O64 -","8","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.0911","0.051","","","0.1127","0.1281","","","","","","1.036","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020980","20.102","0.003","7.2793","0.0009","64.688","0.008","90","","90","","90","","9466","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 B F4 N3 Pd -","- C29 H18 B F4 N3 Pd -","- C464 H288 B16 F64 N48 Pd16 -","16","2","","Yamada, Mihoko; Tashiro, Shohei; Miyake, Ryosuke; Shionoya, Mitsuhiko","A cyclopalladated complex of corannulene with a pyridine pendant and its columnar self-assembly","Dalton Transactions","2013","42","10","3300","","10.1039/c2dt32883f","","","0.71073","MoKα","","0.1475","0.1025","","","0.1702","0.1846","","","","","","1.228","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7021002","14.1521","0.0003","17.9528","0.0004","22.5774","0.0006","90","","90","","90","","5736.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17.36 H28.73 Br2 Cl4.73 N4 Pt -","- C16.763 H27.526 Br2 Cl3.526 N4 Pt -","- C134.104 H220.208 Br16 Cl28.208 N32 Pt8 -","8","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0395","0.0325","","","0.0767","0.0797","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021040","20.373","0.003","16.421","0.0015","13.958","0.0016","90","","90","","90","","4669.6","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H30 Cl3 N O2 Ti -","- C23 H30 Cl3 N O2 Ti -","- C184 H240 Cl24 N8 O16 Ti8 -","8","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.70845","Synchrotron","","0.0836","0.0786","","","0.172","0.1741","","","","","","1.227","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021067","17.319","0.013","15.007","0.013","21.514","0.017","90","","90","","90","","5592","8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H41 Cu N5 O12 -","- C22 H41 Cu N5 O12 -","- C176 H328 Cu8 N40 O96 -","8","1","","Comba, Peter; Emmerling, Franziska; Jakob, Maik; Kraus, Werner; Kubeil, Manja; Morgen, Michael; Pietzsch, Jens; Stephan, Holger","Copper(ii) chemistry of the functionalized macrocycle cyclam tetrapropionic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6142","6148","10.1039/c2dt32356g","","","0.71073","MoKα","","0.2678","0.0635","","","0.0732","0.0937","","","","","","0.671","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021122","18.6021","0.0003","12.6261","0.0002","19.3427","0.0003","90","","90","","90","","4543.06","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Cl Ir N2 -","- C22 H40 Cl Ir N2 -","- C176 H320 Cl8 Ir8 N16 -","8","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.0891","0.0646","","","0.1163","0.1249","","","","","","1.208","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021138","13.2635","0.0005","21.8591","0.0008","26.3883","0.0009","90","","90","","90","","7650.7","0.5","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H34 Au2 F12 N10 P2 -","- C34 H34 Au2 F12 N10 P2 -","- C272 H272 Au16 F96 N80 P16 -","8","1","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","0.71073","MoKα","","0.0705","0.0378","","","0.077","0.0888","","","","","","1.025","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021167","21.7511","0.0017","11.4643","0.0009","37.772","0.003","90","","90","","90","","9418.9","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H23 Cl N2 Pt -","- C14 H23 Cl N2 Pt -","- C336 H552 Cl24 N48 Pt24 -","24","3","","Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.","Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6840","6851","10.1039/c3dt32354d","","","0.71073","MoKα","","0.0414","0.0307","","","0.0659","0.0687","","","","","","1.075","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7021208","18.8363","0.0003","15.4568","0.0002","20.6527","0.0002","90","","90","","90","","6013.01","0.14","173","2","173","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl2 Cu N4 O2 -","- C29 H35 Cl2 Cu N4 O2 -","- C232 H280 Cl16 Cu8 N32 O16 -","8","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","","0.71073","MoKα","","0.0651","0.0525","","","0.1425","0.1576","","","","","","1.042","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021244","16.1878","0.0019","18.288","0.002","18.646","0.002","90","","90","","90","","5520","1.1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Co F7 P4 -","- C22 H36 Co F7 P4 -","- C176 H288 Co8 F56 P32 -","8","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0614","0.0384","","","0.0909","0.1047","","","","","","1.009","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021276","7.62537","0.00016","12.3834","0.0002","27.589","0.0005","90","","90","","90","","2605.17","0.08","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C120 H88 Cr8 N8 O24 -","8","1","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.0567","0.0494","","","0.1066","0.1089","","","","","","1.257","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021434","11.32","0.005","33.405","0.013","15.802","0.006","90","","90","","90","","5975","4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H30 O8 Pd2 -","- C30 H30 O8 Pd2 -","- C240 H240 O64 Pd16 -","8","1","","Sato, Hisako; Morimoto, Kazuya; Mori, Yukie; Shinagawa, Yuji; Kitazawa, Takafumi; Yamagishi, Akihiko","Axially chiral monomeric and dimeric square planar Pd(ii) complexes and their application to chiral tectonics.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7579","7585","10.1039/c3dt50420d","","","0.71073","MoKα","","0.1452","0.0635","","","0.1579","0.1953","","","","","","0.713","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021501","17.7955","0.0011","14.0784","0.0008","20.1991","0.0009","90","","90","","90","","5060.5","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B F10 N P -","- C24 H27 B F10 N P -","- C192 H216 B8 F80 N8 P8 -","8","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.1233","0.0672","","","0.177","0.215","","","","","","1.033","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021513","18.6075","0.0008","15.6202","0.0007","19.284","0.0008","90","","90","","90","","5604.9","0.4","100","","99.99","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H27 B F4 Fe N6 O S4 -","- C21.75 H26.25 B F4 Fe N6 O0.75 S4 -","- C174 H210 B8 F32 Fe8 N48 O6 S32 -","8","1","","Chang, Tsuhen M.; Tomat, Elisa","Disulfide/thiol switches in thiosemicarbazone ligands for redox-directed iron chelation.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7846","7849","10.1039/c3dt50824b","","","0.71073","MoKα","","0.0495","0.0312","","","0.0702","0.0806","","","","","","1.037","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021514","14.4058","0.0013","20.5848","0.0018","21.7051","0.0019","90","","90","","90","","6436.4","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Bi2 Cd N4 O19 -","- C28 H18 Bi2 Cd N4 O19 -","- C224 H144 Bi16 Cd8 N32 O152 -","8","1","","Zhang, Xiao-Ping; Wang, Dong-Gen; Su, Ying; Tian, Han-Rui; Lin, Jun-Jie; Feng, Yun-Long; Cheng, Jian-Wen","Luminescent 2D bismuth-cadmium-organic frameworks with tunable and white light emission by doping different lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10384","10387","10.1039/c3dt50826a","","","0.71073","MoKα","","","0.0308","","","0.0583","0.0649","","","","","","1.024","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021592","19.323","0.002","11.4292","0.0014","27.637","0.003","90","","90","","90","","6103.5","1.2","198","1","198","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H26 Cl3 N4 V -","- C33 H26 Cl3 N4 V -","- C264 H208 Cl24 N32 V8 -","8","1","","Perry, Mitchell R.; Allan, Laura E. N.; Decken, Andreas; Shaver, Michael P.","Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9157","9165","10.1039/c3dt32625j","","x-ray","0.71073","MoKα","","0.1619","0.0651","","","0.1201","0.1702","","","","","","1.161","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021606","16.115","0.005","12.857","0.005","23.586","0.005","90","0.005","90","0.005","90","0.005","4887","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N6 O10 V -","- C21 H22 N6 O10 V -","- C168 H176 N48 O80 V8 -","8","1","","Maurya, Mannar R.; Haldar, Chanchal; Kumar, Amit; Kuznetsov, Maxim L.; Avecilla, Fernando; Costa Pessoa, João","Vanadium complexes having [VO](2+), [VO](3+) and [VO2](+) cores with hydrazones of 2,6-diformyl-4-methylphenol: synthesis, characterization, reactivity, and catalytic potential.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11941","11962","10.1039/c3dt50469g","","","0.71073","MoKα","","0.0832","0.0517","","","0.138","0.1578","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021669","11.1946","0.0007","20.0122","0.0012","38.54","0.002","90","","90","","90","","8634.1","0.9","180","2","180","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C42 H70 N6 Ti2 -","- C42 H70 N6 Ti2 -","- C336 H560 N48 Ti16 -","8","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0654","0.037","","","0.0861","0.0994","","","","","","1.029","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021670","17.0404","0.0007","16.0775","0.0006","23.1921","0.0009","90","","90","","90","","6353.9","0.4","180","","180","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C24 H53 N7 Ti2 -","- C24 H53 N7 Ti2 -","- C192 H424 N56 Ti16 -","8","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0726","0.0402","","","0.0908","0.1052","","","","","","1.031","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021689","18.6849","0.0005","19.275","0.0005","22.5718","0.001","90","","90","","90","","8129.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H54 Cl2 Mg2 N4 O4 -","- C41 H54 Cl2 Mg2 N4 O4 -","- C328 H432 Cl16 Mg16 N32 O32 -","8","1","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","0.71073","MoKα","","0.1151","0.0469","","","0.0832","0.0895","","","","","","0.997","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021691","18.518","0.006","19.252","0.006","22.578","0.007","90","","90","","90","","8049","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H54 Cl2 N4 O4 Zn2 -","- C41 H54 Cl2 N4 O4 Zn2 -","- C328 H432 Cl16 N32 O32 Zn16 -","8","1","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","0.71073","MoKα","","0.0596","0.0321","","","0.0688","0.0718","","","","","","0.998","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021712","14.315","0.006","23.765","0.006","14.779","0.012","90","","90","","90","","5028","5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Br4 N2 Te -","- C24 H22 Br4 N2 Te -","- C192 H176 Br32 N16 Te8 -","8","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1055","0.0492","","","0.0675","0.0807","","","","","","0.928","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021760","15.4847","0.0016","7.8115","0.0008","19.2932","0.0019","90","","90","","90","","2333.7","0.4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N O6 P Zn -","- C10 H12 N O6 P Zn -","- C80 H96 N8 O48 P8 Zn8 -","8","1","","Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue","Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12228","12237","10.1039/c3dt51108a","","","0.71073","MoKα","","0.0733","0.0544","","","0.1107","0.1141","","","","","","1.014","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021810","22.4122","0.0004","22.547","0.0004","22.8436","0.0004","90","","90","","90","","11543.5","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.5 H72.75 Br3.75 Ir N7 Rh2 -","- C57.5 H72.75 Br3.75 Ir0.99 N7 Rh2.01 -","- C460 H582 Br30 Ir7.92 N56 Rh16.08 -","8","1","","Maity, Ramananda; Schulte To Brinke, Christian; Hahn, F. Ekkehardt","Heterotrimetallic complexes of a phenylene-bridged tricarbene ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12857","12860","10.1039/c3dt51572a","","","0.71073","MoKα","","0.0313","0.0238","","","0.0658","0.0675","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021812","15.2374","0.0013","14.6371","0.0012","21.6658","0.0018","90","","90","","90","","4832.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Goswami, Shyamaprosad; Manna, Abhishek; Maity, Anup Kumar; Paul, Sima; Das, Avijit Kumar; Das, Manas Kumar; Saha, Partha; Quah, Ching Kheng; Fun, Hoong-Kun","Selective detection and bio-imaging of Pd(2+) with novel 'C-CN' bond cleavage of cyano-rhodamine, cyanation with diaminomaleonitrile.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12844","12848","10.1039/c3dt51591e","","","0.71073","MoKα","","0.0575","0.0425","","","0.1056","0.1158","","","","","","1.042","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021864","11.1797","0.0005","17.5215","0.0007","26.8062","0.0011","90","","90","","90","","5250.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N8 Pd2 S2 -","- C26 H24 N8 Pd2 S2 -","- C208 H192 N64 Pd16 S16 -","8","1","","Serrano, José Luis; García, Luis; Pérez, José; Pérez, Eduardo; Galiana, José Miguel; García, Joaquín; Martínez, Marina; Sánchez, Gregorio; da Silva, Ivan","New cyclometallated precursors of unsubstituted N-phenylpyrazole [{Pd(phpz)(μ-X)}2] (X = AcO or OH) and study of their reactivity towards selected ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","156","168","10.1039/c0dt00814a","","","0.71073","MoKα","","0.0451","0.0419","","","0.0901","0.0915","","","","","","1.209","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021949","8.7519","0.0005","14.9783","0.0007","31.9899","0.0014","90","","90","","90","","4193.5","0.4","192","2","192","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N5 -","- C23 H26 Ir N5 -","- C184 H208 Ir8 N40 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0293","0.0208","","","0.047","0.05","","","","","","1.023","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021978","14.093","0.003","18.89","0.004","19.669","0.004","90","","90","","90","","5236.2","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H76 Dy4 N4 O26 -","- C38 H76 Dy4 N4 O26 -","- C152 H304 Dy16 N16 O104 -","4","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","A single-molecule magnet featuring a parallelogram [Dy4(OCH2-)4] core and two magnetic relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14813","14818","10.1039/c3dt51785c","","","0.71073","MoKα","","0.0363","0.0343","","","0.0716","0.0726","","","","","","1.188","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7022042","14.364","0.003","15.552","0.003","28.435","0.006","90","","90","","90","","6352","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H42 F6 N4 O P2 Ru -","- C28 H42 F6 N4 O P2 Ru -","- C224 H336 F48 N32 O8 P16 Ru8 -","8","1","","Govender, Preshendren; Sudding, Lara C.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","The influence of RAPTA moieties on the antiproliferative activity of peripheral-functionalised poly(salicylaldiminato) metallodendrimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1267","1277","10.1039/c2dt31337e","","","0.71073","MoKα","","0.1792","0.0451","","","0.087","0.1061","","","","","","0.642","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022043","29.075","0.007","15.582","0.003","14.62","0.003","90","","90","","90","","6624","2","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 N2 O Rh -","- C35 H61 N2 O Rh -","- C280 H488 N16 O8 Rh8 -","8","1","","Truscott, Byron J.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Well-defined NHC-rhodium hydroxide complexes as alkene hydrosilylation and dehydrogenative silylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","270","276","10.1039/c2dt31339a","","","0.71073","MoKα","","0.1134","0.1109","","","0.2333","0.2345","","","","","","1.331","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022068","21.8438","0.001","11.7484","0.0006","22.3792","0.001","90","","90","","90","","5743.2","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H31 Cr Mo6 N3 O29 -","- C3 H31 Cr Mo6 N3 O29 -","- C24 H248 Cr8 Mo48 N24 O232 -","8","1","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0257","0.0202","","","0.0448","0.0465","","","","","","1.03","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022072","13.4301","0.0007","15.5335","0.0008","16.7731","0.0009","90","","90","","90","","3499.1","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Cu2 Mo8 N8 O26 -","- C8 H32 Cu2 Mo8 N8 O26 -","- C32 H128 Cu8 Mo32 N32 O104 -","4","0.5","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0206","0.0204","","","0.0493","0.0493","","","","","","1.173","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022103","18.415","0.006","12.697","0.004","24.742","0.008","90","","90","","90","","5785","3","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H64 Fe2 N4 O2 S4 Zn -","- C68 H64 Fe2 N4 O2 S4 Zn -","- C272 H256 Fe8 N16 O8 S16 Zn4 -","4","0.5","","Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe","Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1196","1209","10.1039/c2dt31667f","","","0.71073","MoKα","","0.1892","0.0733","","","0.1529","0.1876","","","","","","0.904","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022158","8.45746","0.00019","9.22142","0.00017","30.5647","0.0007","90","","90","","90","","2383.73","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Ag N O5 S2 -","- C16 Ag1.6 N1.6 O6.4 S1.6 -","- C80 Ag8 N8 O32 S8 -","5","0.625","","Sabounchei, Seyyed Javad; Akhlaghi Bagherjeri, Fateme; Mozafari, Zeinab; Boskovic, Colette; Gable, Robert W.; Karamian, Roya; Asadbegy, Mostafa","Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2520","2529","10.1039/c2dt31902k","","","1.54184","CuKα","","0.0417","0.0384","","","0.1417","0.1486","","","","","","1.283","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022192","18.7565","0.0001","19.8266","0.0001","20.3582","0.0001","90","","90","","90","","7570.76","0.07","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H53 Al Fe I N3 O2 -","- C38 H53 Al Fe I N3 O2 -","- C304 H424 Al8 Fe8 I8 N24 O16 -","8","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0596","0.0325","","0.0903","0.0693","0.0902","","","","","","0.9418","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022242","22.667","0.004","14.11","0.002","23.682","0.004","90","","90","","90","","7574","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H49 F6 N Si5 -","- C31 H49 F6 N Si5 -","- C248 H392 F48 N8 Si40 -","8","1","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.1012","0.0527","","","0.1202","0.1509","","","","","","0.969","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022327","8.9421","0.0001","18.1282","0.0003","32.8942","0.0005","90","","90","","90","","5332.29","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H33 B11 N2 -","- C24 H33 B11 N2 -","- C192 H264 B88 N16 -","8","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0716","0.0468","","","0.1076","0.117","","","","","","1.038","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022331","10.5981","0.0003","21.2614","0.0006","25.8359","0.0008","90","","90","","90","","5821.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H37 B11 N2 Si -","- C25 H37 B11 N2 Si -","- C200 H296 B88 N16 Si8 -","8","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0461","0.0387","","","0.1035","0.1104","","","","","","1.016","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022344","16.7114","0.0008","14.7773","0.0008","17.634","0.0014","90","","90","","90","","4354.7","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl2 N8 O6 Ru -","- C16 H20 Cl2 N8 O6 Ru -","- C128 H160 Cl16 N64 O48 Ru8 -","8","1","","Agarwala, Hemlata; Ehret, Fabian; Chowdhury, Abhishek Dutta; Maji, Somnath; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Electronic structure and catalytic aspects of [Ru(tpm)(bqdi)(Cl/H2O)]n, tpm = tris(1-pyrazolyl)methane and bqdi = o-benzoquinonediimine.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3721","3734","10.1039/c2dt32402d","","","0.71073","MoKα","","0.0515","0.0404","","","0.1137","0.1194","","","","","","1.077","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022381","17.248","0.003","12.0752","0.0009","18.737","0.004","90","","90","","90","","3902.4","1.1","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Br2 N Sb -","- C19 H22 Br2 N Sb -","- C152 H176 Br16 N8 Sb8 -","8","1","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0386","0.0238","","","0.051","0.0525","","","","","","0.951","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022467","17.58","0.0011","12.421","0.0007","18.6519","0.0012","90","","90","","90","","4072.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F9 O3 P S -","- C19 H10 F9 O3 P S -","- C152 H80 F72 O24 P8 S8 -","8","1","","Hounjet, Lindsay J.; Caputo, Christopher B.; Stephan, Douglas W.","The Lewis acidity of fluorophosphonium salts: access to mixed valent phosphorus(III)/(V) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2629","2635","10.1039/c2dt32711b","","","0.71073","MoKα","","0.101","0.0446","","","0.0853","0.1051","","","","","","1","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022483","19.014","0.002","21.245","0.002","25.136","0.003","90","","90","","90","","10153.7","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H32 Cd2 N8 O10 -","- C48 H32 Cd2 N8 O10 -","- C384 H256 Cd16 N64 O80 -","8","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.1107","0.0676","","","0.1894","0.2096","","","","","","1.037","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022491","14.3116","0.001","19.3121","0.0014","22.0786","0.0016","90","","90","","90","","6102.2","0.8","150","2","150","2","","","","","","","Muhammed Rizwan Azhar","7","P b c a","-P 2ac 2ab","61","","","","- C32 H35 F3 N2 O3 Ru S -","- C32 H35 F3 N2 O3 Ru S -","- C256 H280 F24 N16 O24 Ru8 S8 -","8","1","","Bailey, Philip J.; Rahman, Mahmudur; Parsons, Simon; Azhar, Muhammad R.; White, Fraser J.","Metalloligands containing aminofulvene-aldiminate (AFA) ligands and their bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2879","2886","10.1039/c2dt32804f","","","0.71073","MoKα","","0.0643","0.058","","","0.1351","0.1383","","","","","","1.218","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022534","12.1703","0.0016","12.4077","0.0016","14.2504","0.0019","90","","90","","90","","2151.9","0.5","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Al N2 -","- C7 H21 Al N2 -","- C56 H168 Al8 N16 -","8","1","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0445","0.0341","","","0.0925","0.1059","","","","","","1.081","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022565","19.524","0.0007","12.5631","0.0005","19.7628","0.0007","90","","90","","90","","4847.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Al B F15 N O2 -","- C22 H12 Al B F15 N O2 -","- C176 H96 Al8 B8 F120 N8 O16 -","8","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0649","0.0354","","","0.0742","0.085","","","","","","1.002","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022568","21.184","0.002","14.3717","0.0017","22.001","0.003","90","","90","","90","","6698.2","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H62 B4 Co2 F16 N20 O2 -","- C60 H62 B4 Co2 F16 N20 O2 -","- C240 H248 B16 Co8 F64 N80 O8 -","4","0.5","","Schweinfurth, David; Klein, Johannes; Hohloch, Stephan; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc; Sarkar, Biprajit","Influencing the coordination mode of tbta (tbta = tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine) in dicobalt complexes through changes in metal oxidation states.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6944","6952","10.1039/c3dt00102d","","","0.71073","MoKα","","0.0827","0.0595","","","0.163","0.1846","","","","","","1.097","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022655","11.1774","0.0002","20.3003","0.0005","20.8304","0.0006","90","","90","","90","","4726.5","0.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H26 Hg Mn N6 Sb2 Se5 -","- C8 H26 Hg Mn N6 Sb2 Se5 -","- C64 H208 Hg8 Mn8 N48 Sb16 Se40 -","8","1","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0651","0.0411","","","0.0909","0.1039","","","","","","1.012","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022659","12.7261","0.0015","10.2498","0.0012","18.184","0.002","90","","90","","90","","2371.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H6 F5 N3 O -","- C12 H6 F5 N3 O -","- C96 H48 F40 N24 O8 -","8","1","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0631","0.0407","","","0.135","0.1558","","","","","","1.038","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022687","8.328","0.0006","15.7381","0.0016","30.885","0.002","90","","90","","90","","4048","0.6","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H36 B N -","- C23 H36 B N -","- C184 H288 B8 N8 -","8","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0901","0.0589","","","0.1139","0.1304","","","","","","1.166","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022695","18.5263","0.0013","9.5695","0.0007","31.83","0.002","90","","90","","90","","5643.1","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Cl N2 Pd -","- C32 H39 Cl N2 Pd -","- C256 H312 Cl8 N16 Pd8 -","8","1","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.0534","0.031","","","0.0619","0.0694","","","","","","1.018","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022767","16.5374","0.0015","15.5893","0.0015","17.703","0.006","90","","90","","90","","4563.9","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","bis(aqua)-1,4,10,13-tetraoxo-7,16-dithia-cyclooctadecane- (tetrafluoroborate-F,F')-lead(II) tetrafluoroborate","","- C12 H28 B2 F8 O6 Pb S2 -","- C12 H28 B2 F8 O6 Pb S2 -","- C96 H224 B16 F64 O48 Pb8 S16 -","8","1","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.03","0.0213","","","0.0467","0.0497","","","","","","1.029","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022785","15.2304","0.0016","18.3123","0.0018","16.96","0.002","90","","90","","90","","4730.2","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","ac334","","- C30 H78 Ce2 N2 O6 Si4 -","- C30 H78 Ce2 N2 O6 Si4 -","- C120 H312 Ce8 N8 O24 Si16 -","4","0.5","","Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5491","5499","10.1039/c3dt33005b","","","0.71073","MoKα","","0.0958","0.0673","","","0.1347","0.1475","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022834","12.8244","0.001","17.1331","0.0014","39.156","0.003","90","","90","","90","","8603.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H69 Lu N2 O Si2 -","- C40 H69 Lu N2 O Si2 -","- C320 H552 Lu8 N16 O8 Si16 -","8","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0813","0.0525","","","0.0827","0.0878","","","","","","1.074","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022835","12.8921","0.0016","17.167","0.002","39.247","0.005","90","","90","","90","","8686.1","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H69 N2 O Si2 Y -","- C40 H69 N2 O Si2 Y -","- C320 H552 N16 O8 Si16 Y8 -","8","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.1396","0.0684","","","0.1229","0.1377","","","","","","0.997","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022880","15.3928","0.0004","15.5649","0.0004","22.4687","0.0006","90","","90","","90","","5383.2","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C192 H344 Br8 P16 Pd8 -","8","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","Mokα","","0.048","0.0339","","","0.1011","0.1186","","","","","","1.004","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022960","21.156","0.004","9.7332","0.0019","23.917","0.005","90","","90","","90","","4924.9","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H16 N6 O6 Pb S -","- C28 H16 N6 O6 Pb S -","- C224 H128 N48 O48 Pb8 S8 -","8","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","New Cd2+, Pb2+ complexes with acylhydrazidate molecules from in situ acylation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8771","8780","10.1039/c3dt50411e","","","0.71073","MoKα","","0.0372","0.0257","","","0.055","0.0582","","","","","","1.04","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022995","15.7297","0.0007","26.1766","0.0018","25.2306","0.0013","90","","90","","90","","10388.7","1","213","2","213","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","","- C39 H89 Cu3 Ga P3 S4 -","- C39 H89 Cu3 Ga P3 S4 -","- C312 H712 Cu24 Ga8 P24 S32 -","8","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0548","0.0336","","","0.0692","0.0735","","","","","","0.872","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022999","15.7369","0.0007","26.3293","0.0013","25.2791","0.0014","90","","90","","90","","10474.2","0.9","213","2","213","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) - tris(triisopropylphosphine)-copper(+1)-indium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) -tris(triisopropylphosphine)-copper(+1)-indium(+3)","","- C39 H89 Cu3 In P3 S4 -","- C39 H89 Cu3 In P3 S4 -","- C312 H712 Cu24 In8 P24 S32 -","8","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0611","0.0352","","","0.0689","0.0737","","","","","","0.853","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7023172","17.275","0.007","10.339","0.004","25.146","0.01","90","","90","","90","","4491","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 Cl6 Nb O2 -","- C20 H15 Cl6 Nb O2 -","- C160 H120 Cl48 Nb8 O16 -","8","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pucino, Margherita; Zacchini, Stefano","Coordination complexes of NbX5 (X = F, Cl) with (N,O)- and (O,O)-donor ligands and the first X-ray characterization of a neutral NbF5 adduct.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13054","13064","10.1039/c3dt50930c","","","0.71073","MoKα","","0.117","0.095","","","0.2228","0.2371","","","","","","1.071","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023262","14.073","0.002","15.623","0.003","18.459","0.003","90","","90","","90","","4058.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N5 O6 P Zn -","- C14 H20 N5 O6 P Zn -","- C112 H160 N40 O48 P8 Zn8 -","8","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.1046","0.0499","","","0.1044","0.1302","","","","","","1.001","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023263","14.135","0.002","15.42","0.003","18.524","0.003","90","","90","","90","","4037.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N4 O6 P Zn -","- C11 H11 N4 O6 P Zn -","- C88 H88 N32 O48 P8 Zn8 -","8","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0889","0.0598","","","0.1557","0.17","","","","","","1.102","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023264","14.135","0.002","15.42","0.003","18.524","0.003","90","","90","","90","","4037.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N4 O6 P Zn -","- C11 H11 N4 O4 P Zn -","- C88 H88 N32 O32 P8 Zn8 -","8","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0706","0.0455","","","0.1088","0.1169","","","","","","1.036","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023312","13.5343","0.0007","16.315","0.0008","20.324","0.001","90","","90","","90","","4487.8","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Br N4 O2 Ru -","- C22 H25 Br N4 O2 Ru -","- C176 H200 Br8 N32 O16 Ru8 -","8","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0607","0.0416","","","0.1071","0.1171","","","","","","1.055","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023341","15.5063","0.0017","11.4579","0.0013","24.859","0.003","90","","90","","90","","4416.7","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H10 N6 O8 Pb2 -","- C20 H10 N6 O8 Pb2 -","- C160 H80 N48 O64 Pb16 -","8","1","","Li, Jiang; Yang, Guoping; Hou, Lei; Cui, Lin; Li, Yuanpu; Wang, Yao-Yu; Shi, Qi-Zhen","Three new solvent-directed 3D lead(II)-MOFs displaying the unique properties of luminescence and selective CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13590","13598","10.1039/c3dt51203g","","","0.71073","MoKα","","0.0663","0.0573","","","0.1584","0.1751","","","","","","1.068","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023356","13.2684","0.0016","6.2747","0.0006","29.454","0.004","90","","90","","90","","2452.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0745","0.0435","","","0.1061","0.123","","","","","","1.01","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023363","18.6723","0.0004","24.9419","0.0007","25.4726","0.0005","90","","90","","90","","11863.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H57 B F24 O3 Zn2 -","- C54 H57 B F24 O3 Zn2 -","- C432 H456 B8 F192 O24 Zn16 -","8","1","","Freitag, Kerstin; Banh, Hung; Ganesamoorthy, Chelladurai; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Cp* as a removable protecting group: low valent Zn(I) compounds by reductive elimination, protolytic and oxidative cleavage of Zn-Cp*.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10540","10544","10.1039/c3dt51230d","","","1.54178","CuKα","","0.088","0.0631","","","0.1748","0.2","","","","","","1.025","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023396","10.1257","0.001","13.5984","0.0014","20.253","0.002","90","","90","","90","","2788.7","0.5","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 B F4 Fe N2 -","- C13 H15 B F4 Fe N2 -","- C104 H120 B8 F32 Fe8 N16 -","8","1","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71069","MoKα","","0.0623","0.0408","","","0.0994","0.1113","","","","","","1.025","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023467","24.654","0.0008","22.237","0.0007","39.107","0.0012","90","","90","","90","","21439.7","1.2","150","","150","","","","","","","","Omar Moudam, MO53","6","P b c a","-P 2ac 2ab","61","","","","- C51 H31 F18 Gd O9 P2 -","- C51 H31 F18 Gd O9 P2 -","- C816 H496 F288 Gd16 O144 P32 -","16","2","","Congiu, Martina; Alamiry, Mohamed; Moudam, Omar; Ciorba, Serena; Richardson, Patricia R.; Maron, Laurent; Jones, Anita C.; Richards, Bryce S.; Robertson, Neil","Preparation and photophysical studies of [Ln(hfac)3DPEPO], Ln = Eu, Tb, Yb, Nd, Gd; interpretation of total photoluminescence quantum yields.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13537","13545","10.1039/c3dt51380g","","","0.71073","MoKα","","0.1028","0.0471","","0.0542","0.0471","0.0479","","","","","","1.2141","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023535","15.4027","0.0011","16.4453","0.0015","33.125","0.003","90","","90","","90","","8390.6","1.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H43 B N5 O2 Rh -","- C48 H43 B N5 O2 Rh -","- C384 H344 B8 N40 O16 Rh8 -","8","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.2041","0.0606","","","0.0824","0.1183","","","","","","0.937","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023615","17.4319","0.0006","26.9557","0.0009","35.3346","0.0015","90","","90","","90","","16603.3","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H126 Cu11 N70 O123 Pt6 -","- C60 H84 Cu11 N70 O123 Pt6 -","- C240 H336 Cu44 N280 O492 Pt24 -","4","0.5","","Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard","Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16151","16161","10.1039/c3dt51589c","","","0.71073","MoKα","","0.1716","0.0886","","","0.2254","0.2399","","","","","","1.071","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023626","10.5097","0.0002","12.3812","0.0002","33.8422","0.0005","90","","90","","90","","4403.64","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Hf N3 -","- C24 H31 Hf N3 -","- C192 H248 Hf8 N24 -","8","1","","Luconi, Lapo; Klosin, Jerzy; Smith, Austin J.; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano","Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16056","16065","10.1039/c3dt51620b","","","0.71073","MoKα","","0.0258","0.0207","","","0.0374","0.0387","","","","","","1.198","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023632","8.7519","0.0005","14.9783","0.0007","31.9899","0.0014","90","","90","","90","","4193.5","0.4","192","2","192","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N5 -","- C23 H26 Ir N5 -","- C184 H208 Ir8 N40 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0293","0.0208","","","0.047","0.05","","","","","","1.023","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023648","18.121","0.009","9.62","0.005","27.973","0.015","90","","90","","90","","4876","4","223.1","","223.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Cl N O P Pd -","- C27 H25 Cl N O P Pd -","- C216 H200 Cl8 N8 O8 P8 Pd8 -","8","1","","Isozaki, Katsuhiro; Haga, Yusuke; Ogata, Kazuki; Naota, Takeshi; Takaya, Hikaru","Metal array fabrication based on ultrasound-induced self-assembly of metalated dipeptides.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15953","15966","10.1039/c3dt51696b","","","0.7107","MoKα","","","0.0606","","","","0.1503","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023649","27.878","0.005","17.866","0.003","9.5315","0.0017","90","","90","","90","","4747.3","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","PtOH2","","","- C27 H25 Cl N O P Pt -","- C27 H25 Cl N O P Pt -","- C216 H200 Cl8 N8 O8 P8 Pt8 -","8","1","","Isozaki, Katsuhiro; Haga, Yusuke; Ogata, Kazuki; Naota, Takeshi; Takaya, Hikaru","Metal array fabrication based on ultrasound-induced self-assembly of metalated dipeptides.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15953","15966","10.1039/c3dt51696b","","","0.6998","synchrotron","","0.0281","0.0244","","","0.0589","0.0608","","","","","","1.037","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023659","12.273","0.005","8.397","0.004","23.276","0.008","90","","90","","90","","2398.7","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Br4 N O Sb -","- C4 H10 Br4 N O Sb -","- C32 H80 Br32 N8 O8 Sb8 -","8","1","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.0441","0.0244","","","0.0405","0.0426","","","","","","0.859","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023660","11.776","0.004","8.293","0.003","22.415","0.006","90","","90","","90","","2189","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Cl4 N O Sb -","- C4 H10 Cl4 N O Sb -","- C32 H80 Cl32 N8 O8 Sb8 -","8","1","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.024","0.0175","","","0.0372","0.0385","","","","","","1.067","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023677","12.572","0.003","18.211","0.005","19.677","0.005","90","","90","","90","","4505","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N2 S2 -","- C23 H25 B F2 N2 S2 -","- C184 H200 B8 F16 N16 S16 -","8","1","","Saha, Sukdeb; Agarwalla, Hridesh; Gupta, Hariom; Baidya, Mithu; Suresh, E.; Ghosh, Sudip K.; Das, Amitava","New chemodosimetric probe for the specific detection of Hg(2+) in physiological condition and its utilisation for cell imaging studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15097","15105","10.1039/c3dt51744f","","","0.71073","MoKα","","0.1515","0.0974","","","0.1981","0.2235","","","","","","1.106","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023734","12.122","0.002","16.401","0.003","21.944","0.004","90","","90","","90","","4362.8","1.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H20 B N O2 -","- C29 H20 B N O2 -","- C232 H160 B8 N8 O16 -","8","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.2391","0.0638","","0.1645","0.084","0.1645","","","","","","1.0927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023741","21.368","0.006","17.042","0.004","12.503","0.002","90","","90","","90","","4553","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aqua-1,4,7,10,13,16-hexaoxacyclooctadecane-tin(II) bis(tetrafluoroborate) hydrate","","- C12 H30 B2 F8 O9 Sn -","- C12 H24 B2 F8 O9 Sn -","- C96 H192 B16 F64 O72 Sn8 -","8","1","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.1527","0.0828","","","0.1916","0.2267","","","","","","1.028","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7023749","21.2391","0.0002","10.7028","0.0001","30.5782","0.0003","90","","90","","90","","6950.97","0.11","115","2","115","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H39 Cu O4 P2 -","- C41 H39 Cu O4 P2 -","- C328 H312 Cu8 O32 P16 -","8","1","","Adner, David; Möckel, Stefan; Korb, Marcus; Buschbeck, Roy; Rüffer, Tobias; Schulze, Steffen; Mertens, Lutz; Hietschold, Michael; Mehring, Michael; Lang, Heinrich","Copper(ii) and triphenylphosphine copper(i) ethylene glycol carboxylates: synthesis, characterisation and copper nanoparticle generation.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15599","15609","10.1039/c3dt51913a","","","1.54184","CuKα","","0.0404","0.0346","","","0.0913","0.0929","","","","","","0.962","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023751","10.5448","0.0009","10.0465","0.0008","35.559","0.003","90","","90","","90","","3767.1","0.5","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 O P -","- C21 H25 O P -","- C168 H200 O8 P8 -","8","1","","Wu, Shanshan; Deligonal, Nihal; Protasiewicz, John D.","An unusually unstable ortho-phosphinophenol and its use to prepare benzoxaphospholes having enhanced air-stability.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14866","14874","10.1039/c3dt51919h","","","0.71073","MoKα","","0.0658","0.0412","","","0.0983","0.1139","","","","","","1.036","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023786","17.5025","0.0003","23.0203","0.0007","28.2476","0.0008","90","","90","","90","","11381.3","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H70 B F10 P Zr -","- C61 H70 B F10 P Zr -","- C488 H560 B8 F80 P8 Zr8 -","8","1","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","1.54178","CuKα","","0.0951","0.0536","","","0.1069","0.1252","","","","","","1.012","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023801","17.707","0.003","9.3322","0.0015","22.694","0.004","90","","90","","90","","3750.1","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Mn2 N10 O6 -","- C12 H16 Mn2 N10 O6 -","- C96 H128 Mn16 N80 O48 -","8","1","","Liu, Zhong-Yi; Zou, Hong-Ai; Hou, Zhao-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Structural motif-dependent magnetic diversity observed in three-dimensional tetrazolyl-based MMOFs: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15716","15725","10.1039/c3dt52190g","","","0.71073","MoKα","","0.0594","0.0439","","","0.0998","0.1088","","","","","","1.032","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023833","11.4772","0.0012","12.3357","0.0012","22.48","0.002","90","","90","","90","","3182.7","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H23 Br2 Mg N2 O -","- C10 H23 Br2 Mg N2 O -","- C80 H184 Br16 Mg8 N16 O8 -","8","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5150","5158","10.1039/c3dt32111h","","","0.71073","MoKα","","0.1096","0.0517","","","0.1217","0.1593","","","","","","1.023","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023835","15.5949","0.0007","16.6538","0.0009","29.573","0.002","90","","90","","90","","7680.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C88 H68 Cu2 F12 N4 P6 -","- C88 H68 Cu2 F12 N4 P6 -","- C352 H272 Cu8 F48 N16 P24 -","4","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.","Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4970","4977","10.1039/c3dt32560a","","","0.71073","MoKα","","0.0683","0.0495","","","0.1314","0.1497","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023944","20.0835","0.0009","20.5924","0.0012","20.6268","0.001","90","","90","","90","","8530.6","0.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H65 N4 Si4 Y -","- C35 H65 N4 Si4 Y -","- C280 H520 N32 Si32 Y8 -","8","1","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71075","MoKα","","0.1076","0.0767","","","0.1245","0.1339","","","","","","1.17","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023960","20.8431","0.0014","19.8747","0.001","31.212","0.002","90","","90","","90","","12929.6","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H78 Cu N4 P Pt -","- C76 H78 Cu N4 P Pt -","- C608 H624 Cu8 N32 P8 Pt8 -","8","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.1377","0.0526","","","0.0781","0.1003","","","","","","0.985","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024010","14.6768","0.0014","13.2608","0.0014","17.1259","0.0018","90","","90","","90","","3333.1","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","fosfazen","","","- C7 H10 Cl2 F6 N3 O4 P3 -","- C7 H10 Cl2 F6 N3 O4 P3 -","- C56 H80 Cl16 F48 N24 O32 P24 -","8","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0574","0.0484","","","0.1295","0.1383","","","","","","1.046","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024037","9.449","0.0014","18.186","0.003","21.204","0.003","90","","90","","90","","3643.7","1","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C176 H160 N32 -","16","2","","Gomes, Clara S. B.; Suresh, D.; Gomes, Pedro T.; Veiros, Luis F.; Duarte, M. Teresa; Nunes, Teresa G.; Oliveira, M Conceição","Sodium complexes containing 2-iminopyrrolyl ligands: the influence of steric hindrance in the formation of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","736","748","10.1039/b905948b","","x-ray","0.71073","MoKα","","0.0684","0.0402","","","0.0944","0.1035","","","","","","1.018","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024079","12.093","0.002","14.7","0.003","35.257","0.007","90","","90","","90","","6268","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H49 Cl N2 Si4 Zn -","- C21 H49 Cl N2 Si4 Zn -","- C168 H392 Cl8 N16 Si32 Zn8 -","8","1","","Gaderbauer, Walter; Balatoni, Istvan; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph","Synthesis and structural diversity of oligosilanylzinc compounds.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1598","1603","10.1039/b910463a","","","0.71073","MoKα","","0.0855","0.0645","","","0.1655","0.1766","","","","","","1.063","","","","has coordinates,has disorder","179945","2020-10-21","18:00:00",""
"7024090","23.978","0.0005","20.3364","0.0004","51.0261","0.0011","90","","90","","90","","24881.7","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H33.25 Cs5 Ge O48.62 Sn3 W9 -","- C18 H15 Cs3.525 Ge O48.725 Sn3 W9 -","- C288 H240 Cs56.4 Ge16 O779.6 Sn48 W144 -","16","2","","Reinoso, Santiago; Piedra-Garza, Luis Fernando; Dickman, Michael H.; Praetorius, Antonia; Biesemans, Monique; Willem, Rudolph; Kortz, Ulrich","Trilacunary A-beta-Keggin tungstogermanates and -silicates functionalized with phenyltin(IV) electrophiles.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","248","255","10.1039/b910889k","","","0.71073","MoKα","","0.1019","0.0582","","","0.1305","0.1516","","","","","","1.081","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024102","11.96","0.002","19.24","0.004","41.699","0.008","90","","90","","90","","9595","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H77 Cl2 O2 Zr -","- C57 H77 Cl2 O2 Zr -","- C456 H616 Cl16 O16 Zr8 -","8","1","","Watanabe, Takahito; Ishida, Yutaka; Matsuo, Tsukasa; Kawaguchi, Hiroyuki","Syntheses and structures of zirconium(IV) complexes supported by 2,6-di-adamantylaryloxide ligands and formation of arene-bridged dizirconium complexes with an inverse sandwich structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","484","491","10.1039/b911082h","","","0.7107","MoKα","","0.0811","0.0775","","","0.1159","0.117","","","","","","1.465","","","","has coordinates,has disorder","179946","2020-10-21","18:00:00",""
"7024180","9.7399","0.0013","8.0421","0.0011","43.669","0.006","90","","90","","90","","3420.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Fe N O -","- C21 H23 Fe N O -","- C168 H184 Fe8 N8 O8 -","8","1","","Nishinaga, Tohru; Aono, Tomoshi; Isomura, Eigo; Watanabe, Sayaka; Miyake, Yoshihiro; Miyazaki, Akira; Enoki, Toshiaki; Miyasaka, Hitoshi; Otani, Hiroyuki; Iyoda, Masahiko","Structural, electronic and magnetic properties of Cu(II) complexes of 2-substituted tropones bearing a ferrocenyl group at 5-position.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2293","2300","10.1039/b912255a","","","0.71073","MoKα","","0.033","0.0288","","","0.0744","0.0783","","","","","","1.05","","","","has coordinates","179946","2020-10-21","18:00:00",""
"7024235","13.2122","0.0007","25.5531","0.0013","25.6679","0.0014","90","","90","","90","","8665.8","0.8","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","2c","","","- C51 H46 B Fe N4 O3 -","- C51 H46 B Fe N4 O3 -","- C408 H368 B8 Fe8 N32 O24 -","8","1","","Ross, Tamsyn M.; Neville, Suzanne M.; Innes, David S.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.","Spin crossover in iron(III) Schiff-base 1-D chain complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","149","159","10.1039/b913234a","","","0.71073","MoKα","","0.0912","0.0725","","","0.1395","0.1475","","","","","","1.198","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024255","22.144","0.002","12.6464","0.0008","23.798","0.002","90","","90","","90","","6664.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl3 Co N8 O15 -","- C26 H28 Cl3 Co N8 O15 -","- C208 H224 Cl24 Co8 N64 O120 -","8","1","","Indumathy, Ramasamy; Weyhermüller, Thomas; Nair, Balachandran Unni","Biimidazole containing cobalt(III) mixed ligand complexes: Crystal structure and photonuclease activity.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","2087","2097","10.1039/b913464f","","","0.71073","MoKα","","0.093","0.0624","","","0.1528","0.1764","","","","","","1.03","","","","has coordinates,has disorder","179947","2020-10-21","18:00:00",""
"7024313","14.763","0.0013","20.5969","0.0017","29.11","0.003","90","","90","","90","","8851.5","1.4","100","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","hexaaquacopper(ii) catena-dodekakis(mu-Pyridine-2(1H)-thione- k2S:S)-hexacopper(i) di(sulphate) - water (1/4)","hexaaquacopper(II) catena-dodekakis(mu-Pyridine-2(1H)-thione-k2S:S)- hexacopper(i) di(sulphate) - water (1/4)","","- C60 H80 Cu7 N12 O26 S16 -","- C60 H80 Cu7 N12 O26 S16 -","- C240 H320 Cu28 N48 O104 S64 -","4","0.5","","Delgado, Salomé; Santana, Adriano; Castillo, Oscar; Zamora, Félix","Dynamic combinatorial chemistry in a solvothermal process of Cu(I,II) and organosulfur ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2280","2287","10.1039/b914835c","","","0.71069","MoKα","","0.0835","0.0401","","","0.1005","0.1326","","","","","","1.112","","","","has coordinates,has disorder","179948","2020-10-21","18:00:00",""
"7024372","16.2134","0.0004","20.3539","0.0006","27.5461","0.0007","90","","90","","90","","9090.4","0.4","293","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H44 F27 Mo O4 P3 -","- C32 H44 F27 Mo O4 P3 -","- C256 H352 F216 Mo8 O32 P24 -","8","1","","Dub, Pavel A.; Filippov, Oleg A.; Belkova, Natalia V.; Daran, Jean-Claude; Epstein, Lina M.; Poli, Rinaldo; Shubina, Elena S.","Hydrogen bonding to carbonyl hydride complex Cp*Mo(PMe(3))(2)(CO)H and its role in proton transfer.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","2008","2015","10.1039/b916084a","","","0.71073","MoKα","","0.1917","0.0858","","","0.1871","0.2715","","","","","","1.099","","","","has coordinates,has disorder","179948","2020-10-21","18:00:00",""
"7024401","15.9884","0.0004","15.1347","0.0008","24.347","0.0012","90","","90","","90","","5891.5","0.5","150","2","150","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C34 H33 N P2 Se -","- C34 H33 N P2 Se -","- C272 H264 N8 P16 Se8 -","8","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José","Access to the first (iminophosphoranyl)(selenophosphoranyl)methane ligands Ph2P(=Se)CH2P(=NR)Ph2: coordination of their methanide and methandiide anions to ruthenium.","Dalton transactions (Cambridge, England : 2003)","2010","39","3","941","956","10.1039/b916554a","","","0.71073","MoKα","","0.1037","0.0403","","","0.1196","0.1687","","","","","","0.802","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024423","10.686","0.002","14.934","0.003","32.606","0.007","90","","90","","90","","5203.4","1.8","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(2-pyridylmethyl)tert-butylamine) nickel perchlorate monohydrate diacetonotrile","","- C20 H29 Cl2 N5 Ni O9 -","- C20 H29 Cl2 N5 Ni O9 -","- C160 H232 Cl16 N40 Ni8 O72 -","8","1","","Wikstrom, Jeffrey P.; Filatov, Alexander S.; Mikhalyova, Elena A.; Shatruk, Michael; Foxman, Bruce M.; Rybak-Akimova, Elena V","Carbonate formation within a nickel dimer: synthesis of a coordinatively unsaturated bis(mu-hydroxo) dinickel complex and its reactivity toward carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2504","2514","10.1039/b916832j","","","0.71073","MoKα","","0.0463","0.0358","","0.0845","0.0803","0.0845","","","","","","0.9735","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024447","21.803","0.001","19.3128","0.0009","33.4302","0.0014","90","","90","","90","","14076.7","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H54 Br4 N4 Zn -","- C48 H54 Br4 N4 Zn -","- C384 H432 Br32 N32 Zn8 -","8","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","2137","2146","10.1039/b917089h","","","0.71073","MoKα","","0.2001","0.0867","","","0.1729","0.1911","","","","","","1.02","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024448","21.629","0.002","18.9786","0.0018","34.265","0.003","90","","90","","90","","14065","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H54 Br2 Cl2 N4 Zn -","- C48 H54 Br2 Cl2 N4 Zn -","- C384 H432 Br16 Cl16 N32 Zn8 -","8","1","","Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais","Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","2137","2146","10.1039/b917089h","","","0.71073","MoKα","","0.2206","0.1077","","","0.2648","0.2901","","","","","","1.091","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024465","25.0511","0.0012","22.982","0.0011","27.2339","0.0014","90","","90","","90","","15679.2","1.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C75 H74 F12 Fe2 N2 O3 P6 Pt2 S2 -","- C75 H66 F12 Fe2 N2 O3 P6 Pt2 S2 -","- C600 H528 F96 Fe16 N16 O24 P48 Pt16 S16 -","8","1","","Li, Jingqiu; Li, Fuwei; Koh, Lip Lin; Hor, T. S. Andy","[Pt2(mu-SAz)(mu-S)]2+ (SAz = azolium thiolate) dication as an unusual source for quadruply bridging sulfide in [Ag2Pt2(mu-SAz)(mu4-S)]3+.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2441","2448","10.1039/b917404d","","","0.71073","MoKα","","0.1132","0.0862","","","0.1984","0.2093","","","","","","1.141","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024495","13.2728","0.0014","10.1535","0.0011","33.692","0.004","90","","90","","90","","4540.5","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Fe Hg N S2 -","- C25 H23 Fe Hg N S2 -","- C200 H184 Fe8 Hg8 N8 S16 -","8","1","","Singh, Nanhai; Kumar, Abhinav; Prasad, Rajendra; Molloy, Kieran C.; Mahon, Mary F.","Syntheses, crystal, photoluminescence and electrochemical investigation of some new phenylmercury(II) dithiocarbamate complexes involving ferrocene.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2667","2675","10.1039/b917871f","","","0.71073","MoKα","","0.076","0.0535","","","0.1473","0.1638","","","","","","1.009","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024504","35.245","0.004","7.7757","0.0009","7.172","0.0007","90","","90","","90","","1965.5","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ag2 I3 O11 V -","- Ag2 I3 O11 V -","- Ag16 I24 O88 V8 -","8","1","","Sun, Chuan-Fu; Hu, Chun-Li; Kong, Fang; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses and crystal structures of four new silver(I) iodates with d(0)-transition metal cations.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1473","1479","10.1039/b917907k","","","0.71073","MoKα","","0.0416","0.0328","","","0.0728","0.0773","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024513","20.0004","0.001","7.9187","0.0004","22.9503","0.0012","90","","90","","90","","3634.8","0.3","373","2","373","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H32 Cl6 N2 P2 Pd -","- C36 H32 Cl6 N2 P2 Pd -","- C144 H128 Cl24 N8 P8 Pd4 -","4","0.5","","Liu, Jianke; Jacob, Chacko; Sheridan, Kelly J.; Al-Mosule, Firas; Heaton, Brian T.; Iggo, Jonathan A.; Matthews, Mark; Pelletier, Jeremie; Whyman, Robin; Bickley, Jamie F.; Steiner, Alexander","The synthesis of, and characterization of the dynamic processes occurring in Pd(II) chelate complexes of 2-pyridyldiphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7921","7935","10.1039/b918162h","","","0.71073","MoKα","","0.0269","0.0229","","","0.056","0.0578","","","","","","1.048","","","","has coordinates,has disorder","179950","2020-10-21","18:00:00",""
"7024515","17.704","0.002","18.156","0.002","20.149","0.003","90","","90","","90","","6476.6","1.4","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H28 B Cl F4 N2 P2 Pd -","- C34 H28 B Cl F4 N2 P2 Pd -","- C272 H224 B8 Cl8 F32 N16 P16 Pd8 -","8","1","","Liu, Jianke; Jacob, Chacko; Sheridan, Kelly J.; Al-Mosule, Firas; Heaton, Brian T.; Iggo, Jonathan A.; Matthews, Mark; Pelletier, Jeremie; Whyman, Robin; Bickley, Jamie F.; Steiner, Alexander","The synthesis of, and characterization of the dynamic processes occurring in Pd(II) chelate complexes of 2-pyridyldiphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7921","7935","10.1039/b918162h","","","0.71073","MoKα","","0.0284","0.0235","","","0.0607","0.0638","","","","","","1.035","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024561","14.9443","0.001","15.826","0.003","27.464","0.003","90","","90","","90","","6495.5","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H44 N2 O4 S2 Zn -","- C30 H44 N2 O4 S2 Zn -","- C240 H352 N16 O32 S16 Zn8 -","8","1","","Casas, J. S.; Castellano, E. E.; Couce, M. D.; García-Vega, M; Sánchez, A; Sánchez-González, A; Sordo, J.; Varela, J. M.; Vázquez López, E M","Chemical and in vitro study of the potential of 3-(aryl)-2-sulfanylpropenoic acids and their Zn(II) complexes as protective agents against cadmium toxicity.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3931","3943","10.1039/b918361b","","","1.54184","CuKα","","0.1635","0.037","","","0.0821","0.11","","","","","","1.017","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024574","13.2247","0.0005","9.6779","0.0003","30.7686","0.0011","90","","90","","90","","3938","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Ag N5 O5 -","- C20 H18 Ag N5 O5 -","- C160 H144 Ag8 N40 O40 -","8","1","","Yue, Nancy L. S.; Jennings, Michael C.; Puddephatt, Richard J.","Dynamic ring-opening polymerization of silver(I) complexes with bis(amidopyridine) ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1273","1281","10.1039/b918615h","","","0.71073","MoKα","","0.0832","0.0437","","","0.1072","0.1252","","","","","","1.015","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024702","18.6277","0.0017","17.9054","0.0016","19.0332","0.0017","90","","90","","90","","6348.3","1","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Cu2 N2 O11 -","- C31 H28 Cu2 N2 O11 -","- C248 H224 Cu16 N16 O88 -","8","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Li, Cheng-Peng; Du, Miao","Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2301","2308","10.1039/b920308g","","","0.71073","MoKα","","0.0587","0.0404","","","0.0993","0.1106","","","","","","1.049","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024773","16.667","0.0019","15.708","0.002","32.903","0.004","90","","90","","90","","8614.2","1.8","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C31 H47 Cl2 Cu F6 I Mo3 P S4 -","- C31 H47 Cl2 Cu F6 I Mo3 P S4 -","- C248 H376 Cl16 Cu8 F48 I8 Mo24 P8 S32 -","8","1","","Chen, Pingping; Chen, Yanhui; Zhou, Yuhan; Peng, Ying; Qu, Jingping; Hidai, Masanobu","Heterometallic cubane-type clusters [M'Mo3S4] (M' = Au, Ag and Cu): synthesis, structures and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","24","5658","5663","10.1039/b921176d","","","0.71073","MoKα","","0.0771","0.0535","","","0.147","0.1583","","","","","","1.101","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024796","11.8137","0.0003","16.9123","0.0003","18.3227","0.0005","90","","90","","90","","3660.82","0.15","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br2 N O Te -","- C15 H23 Br2 N O Te -","- C120 H184 Br16 N8 O8 Te8 -","8","1","","Misra, Shafalika; Chauhan, Ashok K. S.; Singh, Puspendra; Srivastava, Ramesh C.; Duthie, Andrew; Butcher, R. J.","Amidomethylation of elemental tellurium: synthesis and solid state structures of N-substituted amidomethyltellurium(IV & II) derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2637","2643","10.1039/b921362g","","","1.54184","CuKα","","0.056","0.0522","","","0.1356","0.1419","","","","","","1.077","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024807","8.3715","0.0017","17.975","0.004","36.081","0.007","90","","90","","90","","5429.4","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Cl2 O Ti -","- C28 H36 Cl2 O Ti -","- C224 H288 Cl16 O8 Ti8 -","8","1","","Wu, Qiaolin; Su, Qing; Ye, Ling; Li, Guanghua; Mu, Ying","Propylene polymerization to high molecular weight atactic polypropylene and copolymerization with 1-hexene using monocyclopentadienyl titanium catalysts.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2525","2535","10.1039/b921617k","","","0.71073","MoKα","","0.0756","0.0447","","","0.1063","0.1172","","","","","","1.037","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024843","19.677","0.005","14.929","0.005","25.509","0.005","90","0.005","90","0.005","90","0.005","7493","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F6 Mn N9 O8 S2 -","- C28 H33 F6 Mn N9 O8 S2 -","- C224 H264 F48 Mn8 N72 O64 S16 -","8","1","","Hao, Erhong; Wang, Zhaoyun; Jiao, Lijuan; Wang, Shaowu","""Click"" tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","10","2660","2666","10.1039/b922043g","","","0.71069","MoKα","","0.1199","0.0865","","","0.2497","0.2868","","","","","","1.044","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7025051","13.3561","0.001","25.439","0.002","27.699","0.002","90","","90","","90","","9411.2","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Fe(tn-OEP)(3-Cl-pyridine)2","","","- C46 H48 Cl2 Fe N10 O8 -","- C46 H48 Cl2 Fe N10 O8 -","- C368 H384 Cl16 Fe8 N80 O64 -","8","1","","Patra, Ranjan; Bhowmik, Susovan; Ghosh, Sudip Kumar; Rath, Sankar Prasad","Effects of axial pyridine coordination on a saddle-distorted porphyrin macrocycle: stabilization of hexa-coordinated high-spin Fe(III) and air-stable low-spin iron(II) porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5795","5806","10.1039/b924742d","","","0.71073","MoKα","","0.0905","0.0558","","","0.1198","0.1381","","","","","","1.032","","","","has coordinates,has disorder","179955","2020-10-21","18:00:00",""
"7025200","7.0364","0.0003","16.9602","0.0007","25.4701","0.0011","90","","90","","90","","3039.6","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2,2'-bipyridine)-chloro-pentafluorophenyl-palladium(II)","","- C16 H8 Cl F5 N2 Pd -","- C16 H8 Cl F5 N2 Pd -","- C128 H64 Cl8 F40 N16 Pd8 -","8","1","","Blank, Frederik; Scherer, Harald; Ruiz, José; Rodríguez, Venancio; Janiak, Christoph","Palladium(II) complexes with pentafluorophenyl ligands: structures, C6F5 fluxionality by 2D-NMR studies and pre-catalysts for the vinyl addition polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3609","3619","10.1039/b925674a","","","0.71073","MoKα","","0.0284","0.0257","","","0.0606","0.0619","","","","","","1.114","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025287","23.9357","0.0016","11.7625","0.0008","25.1174","0.0017","90","","90","","90","","7071.6","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H86 Br2 Cl6 N6 O5 P2 -","- C60 H85 Br2 Cl6 N6 O5 P2 -","- C240 H340 Br8 Cl24 N24 O20 P8 -","4","0.5","","Odinets, Irina L.; Sharova, Elena V.; Artyshin, Oleg I.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Myasoedova, Galina V.; Molochnikova, Nadezhda P.; Zakharchenro, Elena A.","Novel class of functionalized ionic liquids with grafted CMPO-moieties for actinides and rare-earth elements recovery.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4170","4178","10.1039/b926377b","","","0.71073","MoKα","","0.0637","0.0385","","","0.1056","0.1233","","","","","","1.007","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025308","20.257","0.004","12.703","0.003","20.78","0.004","90","","90","","90","","5347.2","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H34 N2 O4 W -","- C28 H34 N2 O4 W -","- C224 H272 N16 O32 W8 -","8","1","","Wong, Yee-Lok; Tong, Lok H.; Dilworth, Jonathan R.; Ng, Dennis K. P.; Lee, Hung Kay","New dioxo-molybdenum(VI) and -tungsten(VI) complexes with N-capped tripodal N₂O₂ tetradentate ligands: synthesis, structures and catalytic activities towards olefin epoxidation.","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4602","4611","10.1039/b926864b","","","0.71073","MoKα","","0.1159","0.1008","","","0.2307","0.2514","","","","","","1.132","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025350","12.5789","0.0019","6.9213","0.0011","21.401","0.003","90","","90","","90","","1863.2","0.5","198","1","198","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H11 In S -","- C8 H11 In S -","- C64 H88 In8 S8 -","8","1","","Briand, Glen G.; Decken, Andreas; Hamilton, Nathan S.","Rationalizing oligomerization in dimethylindium(III) chalcogenolates (Me2InER') (E = O, S, Se): a structural and computational study.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3833","3841","10.1039/b927128g","","x-ray","0.71073","MoKα","","0.0362","0.0219","","","0.0496","0.0591","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025363","19.1773","0.0006","13.3897","0.0004","22.161","0.0007","90","","90","","90","","5690.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H25 Cl4 O5 P2 Pd Re -","- C23 H25 Cl4 O5 P2 Pd Re -","- C184 H200 Cl32 O40 P16 Pd8 Re8 -","8","1","","Sierra, Diego; Klahn, A. Hugo; Ramirez-Tagle, Rodrigo; Arratia-Perez, Ramiro; Godoy, Fernando; Teresa Garland, Maria; Fuentealba, Mauricio","Heterobimetallic Re=Pd complexes bridged by eta(1):eta(5)-Ph(2)PC(5)H(4) ligand. Synthesis, electronic and crystal structure of (CO)(2)(PR(3))(eta(5)-C(5)H(4)PPh(2))Re-PdCl(2), R = Me and OMe.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6295","6301","10.1039/b927265h","","","0.71073","MoKα","","0.0398","0.0327","","","0.0826","0.0858","","","","","","1.052","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025410","13.78","0.004","13.921","0.004","22.471","0.007","90","","90","","90","","4311","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Fe4 N30 O4 -","- C30 H38 Fe4 N30 O4 -","- C120 H152 Fe16 N120 O16 -","4","0.5","","Shin, Jong Won; Rowthu, Sankara Rao; Kim, Bong Gon; Min, Kil Sik","A zigzag tetranuclear iron(III) complex, [Fe4(bpaeO)2(CH3O)2(N3)8] coexisting both ferromagnetic and antiferromagnetic couplings (bpaeOH = N,N-bis(2-pyridylmethyl)-2-aminoethanol).","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2765","2767","10.1039/c000412j","","","0.71073","MoKα","","0.1369","0.0481","","","0.095","0.1233","","","","","","0.82","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7025412","7.9377","0.0007","16.1575","0.001","29.873","0.007","90","","90","","90","","3831.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","silver phosphonobenzoate","silver phosphonobenzoate","","- C14 H8 Ag6 O10 P2 -","- C14 H8 Ag6 O10 P2 -","- C112 H64 Ag48 O80 P16 -","8","1","","Singleton, Richard; Bye, James; Dyson, James; Baker, Gary; Ranson, Robert M.; Hix, Gary B.","Tailoring the photoluminescence properties of transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2010","39","26","6024","6030","10.1039/c000531b","","","0.71073","MoKα","","0.0684","0.0378","","","0.0584","0.0627","","","","","","0.89","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025475","18.3248","0.0013","18.6811","0.0013","19.3253","0.0015","90","","90","","90","","6615.6","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H29 B F15 O P -","- C34 H29 B F15 O P -","- C272 H232 B8 F120 O8 P8 -","8","1","","Neu, Rebecca C.; Ouyang, Eva Y.; Geier, Stephen J.; Zhao, Xiaoxi; Ramos, Alberto; Stephan, Douglas W.","Probing substituent effects on the activation of H(2) by phosphorus and boron frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4285","4294","10.1039/c001133a","","","0.71073","MoKα","","0.0646","0.0393","","","0.0923","0.1045","","","","","","1.01","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025487","10.309","0.004","19.877","0.007","23.543","0.008","90","","90","","90","","4824","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H34 N2 O2 -","- C27 H34 N2 O2 -","- C216 H272 N16 O16 -","8","1","","Hu, Minggang; Wang, Mei; Zhu, Hongjun; Zhang, Lu; Zhang, Hui; Sun, Licheng","Preparation and structures of enantiomeric dinuclear zirconium and hafnium complexes containing two homochiral N atoms, and their catalytic property for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4440","4446","10.1039/c001148g","","","0.71073","MoKα","","0.1676","0.0641","","","0.1204","0.1411","","","","","","1.009","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7025501","15.5058","0.0006","12.0233","0.0005","19.8419","0.0007","90","","90","","90","","3699.1","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 Ni O4 -","- C16 H26 N2 Ni O4 -","- C128 H208 N16 Ni8 O32 -","8","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and exchange reactions of Ni-dimine-COD, acetylene and olefin complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5786","5794","10.1039/c001312a","","","0.71073","MoKα","","0.0224","0.0197","","","0.0514","0.0543","","","","","","1.04","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025522","8.464","0.0002","7.0191","0.0002","16.7986","0.0004","90","","90","","90","","998","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H4 Ag Cl N2 S -","- C H4 Ag Cl N2 S -","- C8 H32 Ag8 Cl8 N16 S8 -","8","1","","Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.","Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4391","4404","10.1039/c001398f","","","0.71073","MoKα","","0.0366","0.0191","","","0.0294","0.0307","","","","","","0.837","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025529","12.2943","0.0009","17.1678","0.0016","17.2075","0.0014","90","","90","","90","","3631.9","0.5","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 N O2 Rh S -","- C19 H28 N O2 Rh S -","- C152 H224 N8 O16 Rh8 S8 -","8","1","","Block, Michael; Wagner, Christoph; Gómez-Ruiz, Santiago; Steinborn, Dirk","Synthesis, characterization and structures of cyclic organorhodium complexes of the type [Rh{CH(SO₂Ph)CH₂CH₂YR₂-κC,κY}L₂] (YR₂ = PPh₂, NMe₂; L₂ = diphosphine, cyclooctadiene).","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4636","4646","10.1039/c001452d","","","0.71073","MoKα","","0.0524","0.0392","","","0.0939","0.1","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025545","16.223","0.003","10.633","0.002","25.188","0.005","90","","90","","90","","4344.9","1.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Co3 N2 O20 -","- C34 H16 Co3 O16 -","- C136 H64 Co12 O64 -","4","0.5","","Su, Shengqun; Guo, Zhiyong; Li, Guanghua; Deng, Ruiping; Song, Shuyan; Qin, Chao; Pan, Chengling; Guo, Huadong; Cao, Feng; Wang, Song; Zhang, Hongjie","Tetracarboxylate-based Co(II), Ni(II) and Cu(II) three-dimensional coordination polymers: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9123","9130","10.1039/c001655a","","","0.71073","MoKα","","0.0276","0.0232","","","0.0589","0.06","","","","","","1.084","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025563","23.195","0.005","24.208","0.005","24.371","0.005","90","","90","","90","","13684","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H99 Cl2 N5 O5 Zn2 -","- C73 H99 Cl2 N5 O5 Zn2 -","- C584 H792 Cl16 N40 O40 Zn16 -","8","1","","Anselmo, Daniele; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.","Isolation and characterization of a new type of mu-hydroxo-bis-Zn(salphen) assembly.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8733","8740","10.1039/c001801e","","","0.71073","MoKα","","0.1487","0.0541","","","0.1118","0.1241","","","","","","0.831","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025590","17.83","0.007","14.973","0.006","21.254","0.008","90","","90","","90","","5674","4","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 O Se U -","- C30 H44 O Se U -","- C240 H352 O8 Se8 U8 -","8","1","","Thomson, Robert K.; Graves, Christopher R.; Scott, Brian L.; Kiplinger, Jaqueline L.","Organometallic uranium(IV) fluoride complexes: preparation using protonolysis chemistry and reactivity with trimethylsilyl reagents.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6826","6831","10.1039/c001911a","","","0.71073","MoKα","","0.0974","0.0474","","","0.0922","0.1101","","","","","","1.018","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025597","10.9398","0.0006","13.734","0.0008","22.5112","0.0013","90","","90","","90","","3382.2","0.3","187","2","187","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H18 Cl6 F6 N2 O2 Ti -","- C32 H18 Cl6 F6 N2 O2 Ti -","- C128 H72 Cl24 F24 N8 O8 Ti4 -","4","0.5","","Ye, Wei-Ping; Shi, Xin-Cui; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng; Cheng, Yan-Xiang; Hu, Ning-Hai","Synthesis and characterization of the titanium complexes bearing two β-enaminoketonato ligands with electron withdrawing groups/modified phenyls and their behaviors for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9000","9007","10.1039/c001987a","","","0.71073","MoKα","","0.0509","0.0451","","","0.1188","0.1251","","","","","","1.053","","","","has coordinates","179961","2020-10-21","18:00:00",""
"7025711","19.543","0.004","10.51","0.002","30.197","0.006","90","","90","","90","","6202","2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H42 N9 P3 -","- C27 H42 N9 P3 -","- C216 H336 N72 P24 -","8","1","","Choong, Sam L.; Jones, Cameron; Stasch, Andreas","Using ""click"" chemistry to access a new class of tripodal P3-ligand containing P=C bonds.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5774","5776","10.1039/c002940h","","","0.71073","MoKα","","0.0549","0.0375","","","0.0978","0.1076","","","","","","1.036","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025751","13.4744","0.0011","14.6459","0.0013","17.2983","0.0015","90","","90","","90","","3413.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H23 B10 Co -","- C13 H23 B10 Co -","- C104 H184 B80 Co8 -","8","1","","Scott, Greig; McAnaw, Amelia; McKay, David; Boyd, Alan S. F.; Ellis, David; Rosair, Georgina M.; Macgregor, Stuart A.; Welch, Alan J.; Laschi, Franco; Rossi, Fulvio; Zanello, Piero","Supraicosahedral indenyl cobaltacarboranes.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5286","5300","10.1039/c003067h","","","0.71073","MoKα","","0.0526","0.032","","","0.0713","0.0783","","","","","","1.055","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025764","19.481","0.004","15.267","0.003","22.882","0.005","90","","90","","90","","6805","2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H62 N4 Pt -","- C36 H62 N4 Pt -","- C288 H496 N32 Pt8 -","8","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Flexible cycloalkyl-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3923","3930","10.1039/c003214j","","","0.71073","MoKα","","0.1082","0.0582","","","0.1034","0.1191","","","","","","1.048","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025821","18.1282","0.0005","18.2509","0.0008","29.6036","0.0008","90","","90","","90","","9794.5","0.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H38 Cl3 F20 N O2 Pd2 -","- C43 H38 Cl3 F20 N O2 Pd2 -","- C344 H304 Cl24 F160 N8 O16 Pd16 -","8","1","","Ara, Irene; Forniés, Juan; Martín, Antonio; Martín, L Francisco; Menjón, Babil; Miedes, Helvia","Synthesis and characterization of neutral and anionic carbonyl derivatives of palladium(II).","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7301","7309","10.1039/c0dt00014k","","","0.71073","MoKα","","0.0554","0.0442","","","0.1043","0.11","","","","","","1.091","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025833","10.5519","0.0005","17.1919","0.0009","36.2298","0.0018","90","","90","","90","","6572.3","0.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Br Fe P2 Pd -","- C40 H33 Br Fe P2 Pd -","- C320 H264 Br8 Fe8 P16 Pd8 -","8","1","","Bennett, Martin A.; Bhargava, Suresh K.; Bond, Alan M.; Burgar, Iko M.; Guo, Si-Xuan; Kar, Gopa; Privér, Steven H; Wagler, Jörg; Willis, Anthony C.; Torriero, Angel A. J.","Synthesis, X-ray structure and electrochemical oxidation of palladium(II) complexes of ferrocenyldiphenylphosphine.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","9079","9090","10.1039/c0dt00016g","","","0.71073","MoKα","","0.0458","0.0383","","","0.0879","0.0939","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025862","7.7628","0.0006","7.7446","0.0006","38.063","0.003","90","","90","","90","","2288.3","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon","Structural studies of some push-pull N-arylbenzazoles.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7147","7152","10.1039/c0dt00029a","","","0.71073","MoKα","","0.0522","0.0424","","","0.1001","0.1042","","","","","","1.044","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025889","8.8148","0.0012","16.607","0.002","26.767","0.004","90","","90","","90","","3918.4","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 As La N6 Se4 -","- C8 H17 As La N6 Se4 -","- C64 H136 As8 La8 N48 Se32 -","8","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0594","0.0473","","","0.1066","0.1106","","","","","","1.153","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025890","8.8021","0.0009","16.5022","0.0014","26.691","0.003","90","","90","","90","","3877","0.7","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 As Ce N6 Se4 -","- C8 H13 As Ce N6 Se4 -","- C64 H104 As8 Ce8 N48 Se32 -","8","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0569","0.05","","","0.0827","0.0848","","","","","","1.168","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025891","8.8169","0.0013","16.489","0.003","26.719","0.004","90","","90","","90","","3884.5","1.1","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 As N6 Pr Se4 -","- C8 H17 As N6 Pr Se4 -","- C64 H136 As8 N48 Pr8 Se32 -","8","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0768","0.0651","","","0.1603","0.1746","","","","","","1.211","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025984","14.291","0.003","26.47","0.005","51.562","0.01","90","","90","","90","","19505","7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H152 B4 K4 O4 Si16 -","- C52 H152 B4 K4 O4 Si16 -","- C416 H1216 B32 K32 O32 Si128 -","8","1","","Arp, Henning; Marschner, Christoph; Baumgartner, Judith","The quest for silylhydroboranes: (Me(3)Si)(3)SiBH(2).","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9270","9274","10.1039/c0dt00096e","","","0.71073","MoKα","","0.1301","0.1045","","","0.2082","0.2212","","","","","","1.221","","","","has coordinates,has disorder","179965","2020-10-21","18:00:00",""
"7026160","12.4503","0.0009","14.901","0.0011","26.724","0.002","90","","90","","90","","4957.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H68 N6 Si4 Y2 -","- C40 H68 N6 Si4 Y2 -","- C160 H272 N24 Si16 Y8 -","4","0.5","","Liu, Chao; Zhou, Shuangliu; Wang, Shaowu; Zhang, Lijun; Yang, Gaosheng","Rare earth metal bis(trimethylsilyl)amido complexes bearing pyrrolyl-methylamide ligand. Synthesis, structure, and catalytic activity towards guanylation of amines.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8994","8999","10.1039/c0dt00246a","","","0.71073","MoKα","","0.1023","0.042","","","0.0998","0.1234","","","","","","1.023","","","","has coordinates,has disorder","179967","2020-10-21","18:00:00",""
"7026161","12.5437","0.0008","14.8642","0.0009","26.9042","0.0017","90","","90","","90","","5016.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H68 N6 Si4 Sm2 -","- C40 H68 N6 Si4 Sm2 -","- C160 H272 N24 Si16 Sm8 -","4","0.5","","Liu, Chao; Zhou, Shuangliu; Wang, Shaowu; Zhang, Lijun; Yang, Gaosheng","Rare earth metal bis(trimethylsilyl)amido complexes bearing pyrrolyl-methylamide ligand. Synthesis, structure, and catalytic activity towards guanylation of amines.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8994","8999","10.1039/c0dt00246a","","","0.71073","MoKα","","0.0449","0.029","","","0.0759","0.0833","","","","","","1.317","","","","has coordinates,has disorder","179967","2020-10-21","18:00:00",""
"7026162","12.4386","0.0008","14.9104","0.001","26.6642","0.0017","90","","90","","90","","4945.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H68 Er2 N6 Si4 -","- C40 H68 Er2 N6 Si4 -","- C160 H272 Er8 N24 Si16 -","4","0.5","","Liu, Chao; Zhou, Shuangliu; Wang, Shaowu; Zhang, Lijun; Yang, Gaosheng","Rare earth metal bis(trimethylsilyl)amido complexes bearing pyrrolyl-methylamide ligand. Synthesis, structure, and catalytic activity towards guanylation of amines.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8994","8999","10.1039/c0dt00246a","","","0.71073","MoKα","","0.0638","0.0353","","","0.0781","0.0882","","","","","","1.237","","","","has coordinates,has disorder","179967","2020-10-21","18:00:00",""
"7026167","17.52","0.004","8.9518","0.0018","22.506","0.005","90","","90","","90","","3529.7","1.3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cu2 N6 -","- C15 H20 Cu2 N6 -","- C120 H160 Cu16 N48 -","8","1","","Li, Ling-Ling; Liu, Lei-Lei; Zheng, Ai-Xia; Chang, Yu-Jie; Dai, Ming; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cracking the framework of bulk CuCN with flexible bipyrazolyl-based ligands to assemble [CuCN]n-based coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7659","7665","10.1039/c0dt00249f","","","0.71073","MoKα","","0.1078","0.0649","","","0.1509","0.1792","","","","","","1.014","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026235","11.765","0.0005","17.6433","0.0007","24.003","0.0009","90","","90","","90","","4982.4","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 F6 N2 O P Rh -","- C22 H30 F6 N2 O P Rh -","- C176 H240 F48 N16 O8 P8 Rh8 -","8","1","","Boutadla, Youcef; Davies, David L.; Al-Duaij, Omar; Fawcett, John; Jones, Rachel C.; Singh, Kuldip","Alkyne insertion into cyclometallated pyrazole and imine complexes of iridium, rhodium and ruthenium; relevance to catalytic formation of carbo- and heterocycles.","Dalton transactions (Cambridge, England : 2003)","2010","39","43","10447","10457","10.1039/c0dt00280a","","","0.71073","MoKα","","0.0392","0.0353","","","0.0882","0.0903","","","","","","1.073","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026239","13.159","0.004","14.219","0.004","23.675","0.007","90","","90","","90","","4430","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H29 Cl N Rh -","- C26 H29 Cl N Rh -","- C208 H232 Cl8 N8 Rh8 -","8","1","","Boutadla, Youcef; Davies, David L.; Al-Duaij, Omar; Fawcett, John; Jones, Rachel C.; Singh, Kuldip","Alkyne insertion into cyclometallated pyrazole and imine complexes of iridium, rhodium and ruthenium; relevance to catalytic formation of carbo- and heterocycles.","Dalton transactions (Cambridge, England : 2003)","2010","39","43","10447","10457","10.1039/c0dt00280a","","","0.71073","MoKα","","0.1518","0.0723","","","0.1073","0.1266","","","","","","0.934","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7026272","20.528","0.002","18.6375","0.0018","24.389","0.003","90","","90","","90","","9331","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H48 N5 O19 Tb -","- C44 H48 N5 O19 Tb -","- C352 H384 N40 O152 Tb8 -","8","1","","Liu, Dianyi; Tang, Kuanzhen; Liu, Weisheng; Su, Chengyong; Yan, Xuhuan; Tan, Minyu; Tang, Yu","A novel luminescent chemosensor for detecting Hg(2+) based on the pendant benzo crown ether terbium complex.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9763","9765","10.1039/c0dt00311e","","","0.71073","MoKα","","0.1082","0.061","","","0.1073","0.1238","","","","","","1.011","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026325","11.3538","0.0003","15.1853","0.0005","29.0604","0.0008","90","","90","","90","","5010.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","aja0712","","","- C21 H18 Cl2 Co N4 O11 -","- C21 H18 Cl2 Co N4 O11 -","- C168 H144 Cl16 Co8 N32 O88 -","8","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Prabaharan, Ravi; Singh, Neha","The co-ordination chemistry of bis(2,2'-bipyrid-6'-yl)ketone with first row transition metals: the reversible interconversion of a mononuclear complex and a dinuclear hemiketal containing species.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8925","8936","10.1039/c0dt00344a","","","0.71073","MoKα","","0.1847","0.0738","","","0.182","0.2308","","","","","","1.014","","","","has coordinates,has disorder","179969","2020-10-21","18:00:00",""
"7026393","17.1433","0.0009","14.6412","0.0009","18.014","0.0012","90","","90","","90","","4521.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Ga2 La -","- C18 H39 Ga2 La -","- C144 H312 Ga16 La8 -","8","1","","Dietrich, H. Martin; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-assisted tetramethylaluminate/gallate exchange in organolanthanide complexes: pushing the limits of Pearson's HSAB concept.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5783","5785","10.1039/c0dt00383b","","","0.71073","MoKα","","0.0799","0.0593","","","0.0916","0.0969","","","","","","1.223","","","","has coordinates","179969","2020-10-21","18:00:00",""
"7026450","15.5122","0.001","17.7614","0.0012","21.524","0.0014","90","","90","","90","","5930.3","0.7","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cr N2 O4 P2 -","- C28 H30 Cr N2 O4 P2 -","- C224 H240 Cr8 N16 O32 P16 -","8","1","","Aluri, Bhaskar Reddy; Peulecke, Normen; Peitz, Stephan; Spannenberg, Anke; Müller, Bernd H; Schulz, Stefan; Drexler, Hans-Joachim; Heller, Detlef; Al-Hazmi, Mohammed H; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang; Rosenthal, Uwe","Coordination chemistry of new selective ethylene trimerisation ligand Ph2PN(iPr)P(Ph)NH(R) (R = iPr, Et) and tests in catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7911","7920","10.1039/c0dt00440e","","","0.71073","MoKα","","0.0608","0.0321","","","0.0568","0.0605","","","","","","0.786","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7026452","12.7627","0.0002","17.6292","0.0003","26.0903","0.0005","90","","90","","90","","5870.22","0.18","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H33 Cr N3 O3 P2 -","- C29 H33 Cr N3 O3 P2 -","- C232 H264 Cr8 N24 O24 P16 -","8","1","","Aluri, Bhaskar Reddy; Peulecke, Normen; Peitz, Stephan; Spannenberg, Anke; Müller, Bernd H; Schulz, Stefan; Drexler, Hans-Joachim; Heller, Detlef; Al-Hazmi, Mohammed H; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang; Rosenthal, Uwe","Coordination chemistry of new selective ethylene trimerisation ligand Ph2PN(iPr)P(Ph)NH(R) (R = iPr, Et) and tests in catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7911","7920","10.1039/c0dt00440e","","","0.71073","MoKα","","0.0562","0.0356","","","0.0827","0.0877","","","","","","0.908","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026476","11.4813","0.0006","12.401","0.0006","28.5197","0.0014","90","","90","","90","","4060.6","0.4","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Al B Cl2 N4 S2 -","- C14 H24 Al B Cl2 N4 S2 -","- C112 H192 Al8 B8 Cl16 N32 S16 -","8","1","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0335","0.0277","","","0.0702","0.0736","","","","","","1.052","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026478","11.4551","0.0005","12.3855","0.0005","28.455","0.0012","90","","90","","90","","4037.1","0.3","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 B Cl2 Ga N4 S2 -","- C14 H24 B Cl2 Ga N4 S2 -","- C112 H192 B8 Cl16 Ga8 N32 S16 -","8","1","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0477","0.0388","","","0.1133","0.1202","","","","","","1.066","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026481","14.2742","0.0006","13.625","0.0006","25.433","0.0011","90","","90","","90","","4946.4","0.4","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H33 B N5 S2 Tl -","- C18 H33 B N5 S2 Tl -","- C144 H264 B8 N40 S16 Tl8 -","8","1","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.056","0.0271","","","0.0495","0.0574","","","","","","1.061","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026482","11.5227","0.0005","12.6478","0.0005","28.791","0.0012","90","","90","","90","","4195.9","0.3","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 B Br2 Ga N4 S2 -","- C14 H24 B Br2 Ga N4 S2 -","- C112 H192 B8 Br16 Ga8 N32 S16 -","8","1","","Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard","Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6939","6942","10.1039/c0dt00461h","","","0.71073","MoKα","","0.0375","0.0262","","","0.0551","0.0592","","","","","","1.064","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026505","12.174","0.001","20.3147","0.0016","22.373","0.0018","90","","90","","90","","5533.1","0.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H50 F12 N8 O4 Os2 P2 S2 -","- C48 H50 F12 N8 O4 Os2 P2 S2 -","- C192 H200 F48 N32 O16 Os8 P8 S8 -","4","0.5","","Man, Wai-Lun; Chen, Gui; Yiu, Shek-Man; Shek, Lam; Wong, Wai-Yeung; Wong, Wing-Tak; Lau, Tai-Chu","Formation of μ-dinitrogen (salen)osmium complexes via ligand-induced N···N coupling of (salen)osmium(VI) nitrides.","Dalton transactions (Cambridge, England : 2003)","2010","39","46","11163","11170","10.1039/c0dt00481b","","","0.71073","MoKα","","0.0846","0.0486","","","0.1108","0.1272","","","","","","1.098","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026561","12.53","0.003","13.566","0.003","16.714","0.003","90","","90","","90","","2841.1","1.1","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Al N3 -","- C15 H16 Al N3 -","- C120 H128 Al8 N24 -","8","1","","Shen, Miao; Huang, Wei; Zhang, Wenjuan; Hao, Xiang; Sun, Wen-Hua; Redshaw, Carl","Synthesis and characterisation of alkylaluminium benzimidazolates and their use in the ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9912","9922","10.1039/c0dt00514b","","","0.71073","MoKα","","","0.089","","","0.1877","0.1909","","","","","","1.283","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026591","13.707","0.005","17.121","0.007","36.018","0.014","90","","90","","90","","8453","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O19 P2 Zn3 -","- C22 H21 N O19 P2 Zn3 -","- C176 H168 N8 O152 P16 Zn24 -","8","1","","Ling, Yun; Liao, Teng-Biao; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong","Systematic exploration of a rutile-type zinc(II)-phosphonocarboxylate open framework: the factors that influence the structure.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10712","10718","10.1039/c0dt00525h","","","0.71073","MoKα","","0.1129","0.0596","","","0.1762","0.199","","","","","","0.939","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026636","12.7216","0.0012","14.0186","0.0013","16.9669","0.0016","90","","90","","90","","3025.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 Co N2 S2 -","- C11 H10 Br2 Co N2 S2 -","- C88 H80 Br16 Co8 N16 S16 -","8","1","","Belén Lago, Ana; Amoedo, Almudena; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M","Metal coordination and in situ S-C bond cleavage of the bis(2-pyridylthio)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10076","10087","10.1039/c0dt00560f","","","0.71073","MoKα","","0.0852","0.0295","","","0.0444","0.0517","","","","","","0.768","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026650","9.972","0.0002","17.694","0.0003","34.011","0.0007","90","","90","","90","","6001.1","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H53 N4 Na O -","- C27 H53 N4 Na O -","- C216 H424 N32 Na8 O8 -","8","1","","Cousins, David M.; Davidson, Matthew G.; Frankis, Catherine J.; García-Vivó, Daniel; Mahon, Mary F.","Tris(2-dimethylaminoethyl)amine: a simple new tripodal polyamine ligand for Group 1 metals.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8278","8280","10.1039/c0dt00567c","","","0.71073","MoKα","","0.0985","0.0705","","","0.1748","0.1929","","","","","","1.025","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026656","8.6642","0.0006","19.3916","0.0013","24.0284","0.0017","90","","90","","90","","4037.1","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Mo N4 O4 -","- C17 H24 Mo N4 O4 -","- C136 H192 Mo8 N32 O32 -","8","1","","Paredes, Paloma; López-Calzada, Angel; Miguel, Daniel; Villafañe, Fernando","Tetranuclear organometallic complexes containing Mo2O4(2+) and allylmolybdenum(II) moieties.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10099","10104","10.1039/c0dt00570c","","","0.71073","MoKα","","0.0523","0.033","","","0.073","0.0786","","","","","","0.97","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026662","13.168","0.005","9.877","0.005","33.294","0.005","90","0.005","90","0.005","90","0.005","4330","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Fe Hg N2 S2 -","- C24 H22 Fe Hg N2 S2 -","- C192 H176 Fe8 Hg8 N16 S16 -","8","1","","Singh, Vikram; Chauhan, Ratna; Kumar, Abhinav; Bahadur, Lal; Singh, Nanhai","Efficient phenylmercury(II) methylferrocenyldithiocarbamate functionalized dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9779","9788","10.1039/c0dt00575d","","","0.71073","MoKα","","0.1135","0.0766","","","0.1902","0.2061","","","","","","1.134","","","","has coordinates,has disorder","179972","2020-10-21","18:00:00",""
"7026731","11.6418","0.0014","7.8118","0.0008","24.194","0.003","90","","90","","90","","2200.3","0.4","173.1","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cl2 N O V -","- C8 H10 Cl2 N O V -","- C64 H80 Cl16 N8 O8 V8 -","8","1","","Nishina, Masafumi; Moriuchi, Toshiyuki; Hirao, Toshikazu","Synthesis of (arylimido)vanadium complexes and their application for oxidative coupling reactions of silyl enol ether derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9936","9940","10.1039/c0dt00633e","","","0.71075","MoKα","","","0.0331","","","","0.0781","","","","","","1.153","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026791","16.571","0.003","17.535","0.004","17.726","0.004","90","","90","","90","","5150.7","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-bis-dichlorophosphino-2,6-bis-(2,4,6-trimethylphenyl)aniline","","- C24 H25 Cl4 N P2 -","- C24 H25 Cl4 N P2 -","- C192 H200 Cl32 N8 P16 -","8","1","","Reiss, Fabian; Schulz, Axel; Villinger, Alexander; Weding, Nico","Synthesis of sterically encumbered 2,4-bis-m-terphenyl-1,3-dichloro-2,4-cyclo-dipnictadiazanes [m-TerNPnCl](2), (Pn = P, As).","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9962","9972","10.1039/c0dt00700e","","","0.71073","MoKα","","0.071","0.0441","","","0.1151","0.1265","","","","","","1.061","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026944","18.1755","0.0008","17.9772","0.0008","18.5659","0.0009","90","","90","","90","","6066.3","0.5","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","3.3","","","- C29 H29 Cl2 Cu F6 N3 O P -","- C29 H29 Cl2 Cu F6 N3 O P -","- C232 H232 Cl16 Cu8 F48 N24 O8 P8 -","8","1","","Ebrahimpour, Parisa; Cushion, Michael; Haddow, Mairi F.; Hallett, Andrew J.; Wass, Duncan F.","Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10910","10919","10.1039/c0dt00986e","","","0.71073","MoKα","","0.1306","0.0466","","","0.07","0.0849","","","","","","0.686","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027008","12.414","0.002","22.267","0.002","44.002","0.005","90","","90","","90","","12163","3","293","2","293","2","","","","","","","G. Besenyei KKKI","9","P b c a","-P 2ac 2ab","61","","","","- C63 H59 Cl2 Fe N O3 P4 Pd2 S -","- C63 H59 Cl2 Fe N O3 P4 Pd2 S -","- C504 H472 Cl16 Fe8 N8 O24 P32 Pd16 S8 -","8","1","","Foch, Isabella; Párkányi, László; Besenyei, Gábor; Simándi, László I.; Kálmán, Alajos","Arylsulfonylnitrene and arenesulfonyl azide complexes of palladium","Journal of the Chemical Society, Dalton Transactions","1999","","3","293","","10.1039/a805467c","","","0.71073","MOkα","","0.1215","0.0401","","","0.0859","0.0984","","","","","","0.843","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027021","17.844","0.003","18.881","0.004","12.337","0.004","90","","90","","90","","4156.5","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Mn N2 O4 -","- C21 H23 Mn N2 O4 -","- C168 H184 Mn8 N16 O32 -","8","1","","Watkinson, Michael; Fondo, Matilde; Bermejo, Manuel R.; Sousa, Antonio; McAuliffe, Charles A.; Pritchard, Robin G.; Jaiboon, Nongnuj; Aurangzeb, Nadeem; Naeem, Mohammed","Further attempts to rationalise the co-ordination chemistry of manganese with Schiff base ligands and supplementary carboxylate donors","Journal of the Chemical Society, Dalton Transactions","1999","","1","31","","10.1039/a805555f","","","0.71069","MoKα","","0.1366","0.048","","","0.1226","0.1671","","","","","","0.977","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027125","12.0191","0.0009","10.8998","0.0006","22.799","0.003","90","","90","","90","","2986.8","0.5","150","2","293","2","","","","","","","dichloromethane-petrol solution","4","P b c a","-P 2ac 2ab","61","1,4-(cis)bispyrazolylpyrazabole","","","- C12 H14 B2 N8 -","- C12 H14 B2 N8 -","- C96 H112 B16 N64 -","8","1","","Kresiński, Roman A.","Pyrazabole formation by thermolysis of the free acid of the hydrotris(pyrazolyl)borate ion","Journal of the Chemical Society, Dalton Transactions","1999","","3","401","","10.1039/a807338d","","","0.71069","MoKα","","0.1573","0.0354","","0.0701","0.0585","","","","0.602","0.947","0.947","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027126","9.4165","0.0013","16.3833","0.0015","18.6033","0.0009","90","","90","","90","","2870","0.5","293","2","293","2","","","","","","","dichloromethane-petrol solution","5","P b c a","-P 2ac 2ab","61","bispyrazolylboron oxide dimer","","","- C24 H24 B4 N16 O2 -","- C24 H24 B4 N16 O2 -","- C96 H96 B16 N64 O8 -","4","0.5","","Kresiński, Roman A.","Pyrazabole formation by thermolysis of the free acid of the hydrotris(pyrazolyl)borate ion","Journal of the Chemical Society, Dalton Transactions","1999","","3","401","","10.1039/a807338d","","","0.71069","MoKα","","0.1165","0.0351","","0.0656","0.0559","","","","0.557","0.77","0.77","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027143","15.83","0.002","22.432","0.002","14.249","0.0012","90","","90","","90","","5059.8","0.9","294","2","294","2","","","","","","","synthesis","7","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl2 N2 Ni O10 S3 -","- C18 H22 Cl2 N2 Ni O10 S3 -","- C144 H176 Cl16 N16 Ni8 O80 S24 -","8","1","","Blake, Alexander J.; Casabò, Jaume; Devillanova, Francesco A.; Escriche, Lluis; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vincens; Schröder, Martin; Sillanpää, Reijo; Verani, Gaetano","Mixed aza‒thia crowns containing the 1,10-phenanthroline sub-unit. Substitution reactions in [NiL(MeCN)][BF4]2 {L = 2,5,8-trithia[9](2,9)-1,10-phenanthrolinophane} †","Journal of the Chemical Society, Dalton Transactions","1999","","7","1085","","10.1039/a808062c","","","0.71069","MoKα","","0.1724","0.0657","","0.1692","0.117","","","","1.056","1.171","1.171","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027148","20.064","0.007","21.306","0.008","15.751","0.004","90","","90","","90","","6733","4","293.2","","293.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H34 Cl Fe N7 O7 Pb S -","- C28 H33 Cl Fe N7 O7 Pb S -","- C224 H264 Cl8 Fe8 N56 O56 Pb8 S8 -","8","1","","Furutachi, Hideki; Ishida, Akiko; Miyasaka, Hitoshi; Fukita, Nobuo; Ohba, Masaaki; Ōkawa, Hisashi; Koikawa, Masayuki","FeIIPbII and FeIII complexes of macrocyclic compartmental ligands: different cyclization in stepwise template synthesis using FeII/PbII or FeIII/PbII pairs","Journal of the Chemical Society, Dalton Transactions","1999","","3","367","","10.1039/a808101h","","","0.7107","MoKα","","","0.0402","","","0.057","","","","","1.099","1.099","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027156","6.3013","0.0004","7.8308","0.0007","33.242","0.003","90","","90","","90","","1640.3","0.2","183","2","183","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,5-Bis(1-phenylimonoethyl)pyrazine","2,5-Bis(1-phenyliminoethyl)pyrazine","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","0.5","","Klein, Axel; Kasack, Volker; Reinhardt, Ralf; Sixt, Torsten; Scheiring, Thomas; Zalis, Stanislav; Fiedler, Jan; Kaim, Wolfgang","2,5-Bis(1-phenyliminoethyl)pyrazine (bpip): a conjugated metal‒metal bridging acceptor ligand and its homodinuclear complexes with low-valent metal centres","Journal of the Chemical Society, Dalton Transactions","1999","","4","575","","10.1039/a808293f","","","0.71073","MoKα","","0.0756","0.048","","0.1449","0.1201","","","","1.046","1.11","1.11","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027295","20.998","0.001","15.341","0.002","21.779","0.002","90","","90","","90","","7015.7","1.2","298.2","","298.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 O15 Os6 S2 -","- C25 H20 O15 Os6 S2 -","- C200 H160 O120 Os48 S16 -","8","1","","Leung, Kelvin Sze-Yin; Wong, Wing-Tak","Synthesis, structural characterization and reactivities of hexaosmium carbonyl clusters with six-membered cyclic thioether and thioxane ligands","Journal of the Chemical Society, Dalton Transactions","1999","","12","2077","","10.1039/a900808j","","","0.7107","MoKalpha","","","0.0502","","","0.0511","","","","","1.495","1.495","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027411","16.096","0.003","6.518","0.0013","18.01","0.004","90","","90","","90","","1889.5","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(copper bromide) triazine","Tris(copper bromide) 1,3,5-triazine","","- C3 H3 Br3 Cu3 N3 -","- C3 H3 Br3 Cu3 N3 -","- C24 H24 Br24 Cu24 N24 -","8","1","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cooke, Paul A.; Deveson, Anne M.; Fenske, Dieter; Hubberstey, Peter; Li, Wan-Sheung; Schröder, Martin","Controlling copper(I) halide framework formation using N-donor bridging ligand symmetry: use of 1,3,5-triazine to construct architectures with threefold symmetry","Journal of the Chemical Society, Dalton Transactions","1999","","13","2103","","10.1039/a902290b","","","0.71073","MoKα","","0.0474","0.0391","","","0.0915","0.0968","","","","","","1.087","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027433","17.3431","0.0002","15.4671","0.0001","18.0049","0.0002","90","","90","","90","","4829.77","0.08","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H2 As F3 O13 Ru4 -","- C14 H2 As F3 O13 Ru4 -","- C112 H16 As8 F24 O104 Ru32 -","8","1","","Ang, How Ghee; Ang, Siau Gek; Du, Shaowu; Sow, Boon Hwa; Wu, Xintao","Reactions of trifluoromethyl-phosphine and -arsine with a ruthenium carbonyl cluster: synthesis, characterization and reactivity of cluster derivatives capped by trifluoromethyl-phosphinidene and -arsinidene moieties","Journal of the Chemical Society, Dalton Transactions","1999","","16","2799","","10.1039/a902598g","","","0.71073","MoKα","","0.0375","0.0252","","0.0498","0.0448","","","","1.13","1.13","1.13","","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027445","21.139","0.007","15.858","0.006","15.665","0.006","90","0.03","90","0.03","90","0.03","5251","3","293","","293","","","","","","","","Synthesized in the laboratory","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cl2 Cu N4 O4 -","- C28 H14 Cl4 Cu N4 O4 -","- C224 H112 Cl32 Cu8 N32 O32 -","8","1","","Patra, Apurba Kumar; Ray, Manabendra; Mukherjee, Rabindranath","Synthesis, crystal structure and properties of trigonal bipyramidal [M(L5)2(H2O)]·H2O complexes [M = cobalt(II) (S = 3/2) or copper(II) (S = 1/2); HL5 = N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide]","Journal of the Chemical Society, Dalton Transactions","1999","","15","2461","","10.1039/a902851j","","","0.71073","MoK-alpha","","0.097","0.056","","0.06","0.054","","","","2.569","3.023","3.023","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027446","21.039","0.009","15.841","0.003","15.678","0.005","90","0.01","90","0.03","90","0.03","5225","3","293","","293","","","","","","","","Synthesized in the laboratory","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cl2 Co N4 O4 -","- C28 H14 Cl4 Co N4 O4 -","- C224 H112 Cl32 Co8 N32 O32 -","8","1","","Patra, Apurba Kumar; Ray, Manabendra; Mukherjee, Rabindranath","Synthesis, crystal structure and properties of trigonal bipyramidal [M(L5)2(H2O)]·H2O complexes [M = cobalt(II) (S = 3/2) or copper(II) (S = 1/2); HL5 = N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide]","Journal of the Chemical Society, Dalton Transactions","1999","","15","2461","","10.1039/a902851j","","","0.71073","MoK-alpha","","0.149","0.058","","0.058","0.046","","","","1.968","2.499","2.499","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027453","8.077","0.001","22.366","0.003","25.317","0.004","90","","90","","90","","4573.5","1.1","293","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H23 N2 O P -","- C29 H23 N2 O P -","- C232 H184 N16 O8 P8 -","8","1","","Alder, Mark J.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","Azo-containing tertiary phosphines: synthesis, reactivity and structural characterisation","Journal of the Chemical Society, Dalton Transactions","1999","","15","2563","","10.1039/a902885d","","","0.71069","MoKα","","0.2136","0.0686","","","0.1172","0.1665","","","","","","0.911","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027466","13.515","0.005","13.242","0.006","30.181","0.007","90","","90","","90","","5401","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Co4 O20 P4 -","- C46 H52 Co4 O20 P4 -","- C184 H208 Co16 O80 P16 -","4","0.5","","McAdam, C. John; Brunton, Jason J.; Robinson, Brian H.; Simpson, Jim","Ferrocenylethynylnaphthalenes and acenaphthylenes; communication between ferrocenyl and cluster redox centres","Journal of the Chemical Society, Dalton Transactions","1999","","15","2487","","10.1039/a903003d","","","0.71073","MoKα","","0.2202","0.0685","","","0.12","0.1538","","","","","","0.851","","","","has coordinates,has disorder","179980","2020-10-21","18:00:00",""
"7027608","13.6607","0.0008","17.9727","0.0016","23.6191","0.0016","90","","90","","90","","5799","0.7","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H42 N5 O6 V -","- C26 H42 N5 O6 V -","- C208 H336 N40 O48 V8 -","8","1","","Süss-Fink, Georg; Stanislas, Sandrine; Shul’pin, Georgiy B.; Nizova, Galina V.; Stoeckli-Evans, Helen; Neels, Antonia; Bobillier, Christiane; Claude, Saturnin","Oxidative functionalisation of alkanes: synthesis, molecular structure and catalytic implications of anionic vanadium(V) oxo and peroxo complexes containing bidentate N,O ligands †","Journal of the Chemical Society, Dalton Transactions","1999","","18","3169","","10.1039/a904844h","","","0.71073","MoKα","","0.0641","0.0333","","","0.0682","0.0736","","","","","","0.839","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027648","22.443","0.003","7.6933","0.0011","23.913","0.003","90","","90","","90","","4128.8","1","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Fe N6 O3 -","- C21 H24 Fe N6 O3 -","- C168 H192 Fe8 N48 O24 -","8","1","","Houlton, Andrew; Isaac, Christian J.; Gibson, Ashleigh E.; Horrocks, Benjamin R.; Clegg, William; Elsegood, Mark R. J.","Synthesis, structure and redox properties of ferrocenylmethylnucleobases","Journal of the Chemical Society, Dalton Transactions","1999","","18","3229","","10.1039/a905168f","","","0.71073","MoKα","","0.0907","0.0441","","","0.0853","0.1033","","","","","","1.034","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027733","19.449","0.004","17.442","0.002","15.578","0.002","90","","90","","90","","5284.5","1.4","290.2","","290.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H42 P2 Ru S -","- C25 H42 P2 Ru S -","- C200 H336 P16 Ru8 S8 -","8","1","","Coto, Alberto; de los Ríos, Isaac; Tenorio, Manuel Jiménez; Puerta, M. Carmen; Valerga, Pedro","S‒H Bond cleavage versus thiol co-ordination in half-sandwich ruthenium complexes †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4309","","10.1039/a906110j","","","0.7107","MoKalpha","","","0.0503","","","0.0624","","","","","1.912","1.912","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027758","22.985","0.009","24.213","0.01","26.926","0.016","90","","90","","90","","14985","12","299","2","299","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H82 N2 O4.5 P3 Pd3 S2 -","- C73 H82 N2 O4.5 P3 Pd3 S2 -","- C584 H656 N16 O36 P24 Pd24 S16 -","8","1","","Arifhodzic-Radojevic, Sanja; Burrows, Andrew D.; Choi, Nick; McPartlin, Mary; Mingos, D. Michael P.; Tarlton, Stephen V.; Vilar, Ramón","Reactivity of the palladium dimer [Pd2(μ-SO2)(μ-dba)(PBz3)2]. Syntheses and structural characterisation of [Pd3(μ-SO2)3(PBz3)3], [Pd2(μ-SO2)(μ-dppm)(PBz3)2], [Pd(SO2)(PBz3)2], [Pd3(μ-CO)2(μ-SO2)(PBz3)3] and [Pd3(μ-SO2)2(CNBut )2(PBz3)3] (Bz = benzyl) †","Journal of the Chemical Society, Dalton Transactions","1999","","22","3981","","10.1039/a906444c","","","0.71073","MoKα","","0.2803","0.0821","","0.2949","0.1798","","","","0.921","1.24","1.24","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027787","8.757","0.001","16.15","0.008","27.766","0.003","90","","90","","90","","3927","2","453","2","453","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl N O4 Ti -","- C20 H22 Cl N O4 Ti -","- C160 H176 Cl8 N8 O32 Ti8 -","8","1","","Rao, P. Venkateshwara; Pulla Rao, Chebrolu; Wegelius, Elina K.; Kolehmainen, Erkki; Rissanen, Kari","Reactivity of cis-bis(acetylacetonato)dichlorotitanium(IV) towards hydroxy-containing ligands: isolation and characterisation of products †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4469","","10.1039/a906985b","","","0.71069","MoKα","","0.0708","0.0394","","0.1123","0.1043","","","","1.032","1.167","1.167","","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7027791","7.672","0.0002","6.5437","0.0002","28.2086","0.0009","90","","90","","90","","1416.16","0.07","293","2","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H4 B N3 O2 -","- C6 H4 B N3 O2 -","- C48 H32 B8 N24 O16 -","8","1","","Fraenk, Wolfgang; Habereder, Tassilo; Klapötke, Thomas M.; Nöth, Heinrich; Polborn, Kurt","Synthesis and characterization of new azido(o-phenylenedioxy)boranes and azidobicyclononylboranes †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4283","","10.1039/a907222e","","","0.71073","MoKα","","0.0645","0.0486","","","0.0991","0.1061","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7027801","19.6245","0.0003","13.9778","0.0001","29.5777","0.0006","90","","90","","90","","8113.4","0.2","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H43 Fe N O7 P2 Pd Si -","- C40 H43 Fe N O7 P2 Pd Si -","- C320 H344 Fe8 N8 O56 P16 Pd8 Si8 -","8","1","","Braunstein, Pierre; Durand, Jérôme; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Pugin, Raphael; Tiripicchio, Antonio; Ugozzoli, Franco","Hydrocarbyl derivatives of dppm- or dppa-bridged alkoxysilyl heterobimetallic Fe‒Pd complexes and CO insertion reactions. Crystal structures of [(OC)3{(MeO)3Si}Fe(μ-dppm)Pd(8-mq)] (dppm = Ph2PCH2PPh2), [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdCl] and [(OC)3Fe{μ-Si(OMe)2(OMe)}(μ-dppa)PdPh] (dppa = Ph2PNHPPh2) †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4175","","10.1039/a907425b","","","0.71073","MoKα","","0.0875","0.051","","0.1271","0.1013","","","","1.155","1.202","1.202","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027808","15.153","0.003","16.466","0.0005","19.698","0.001","90","","90","","90","","4914.8","1","296.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H28 B F4 N2 O Rh -","- C208 N32 Rh16 -","- C1664 N256 Rh128 -","8","1","","Maekawa, Masahiko; Sugimoto, Kunihisa; Kuroda-Sowa, Takayoshi; Suenaga, Yusaku; Munakata, Megumu","Syntheses and structures of dinuclear rhodium(I) complexes and 1-D zigzag-chain rhodium(I) co-ordination polymers bridged by rod-like bidentate nitrogen ligands †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4357","","10.1039/a907577a","","","0.7107","MoKα","","","0.0806","","","","0.188","","","","","","1.292","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027832","14.175","0.002","16.463","0.001","20.949","0.003","90","","90","","90","","4888.7","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis-2,2':6',2'':6'',2''-quaterpyridine-bis-aquo-μ-oxo-diiron(III) perchlorate dihydrate","","- C40 H36 Cl4 Fe2 N8 O21 -","- C40 H36 Cl4 Fe2 N8 O21 -","- C160 H144 Cl16 Fe8 N32 O84 -","4","0.5","","Calderazzo, Fausto; Labella, Luca; Marchetti, Fabio","Synthesis, crystal structure and polymorphism of a μ-oxo bridged binuclear iron(III) complex of 2,2′∶ 6′,2″∶6″,2‴-quaterpyridine","Journal of the Chemical Society, Dalton Transactions","1998","","9","1485","","10.1039/a707623a","","","","MoKα","","0.177","0.1069","","0.3759","0.2976","","","","1.01","1.12","1.12","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027863","12.024","0.003","19.102","0.005","47.828","0.012","90","","90","","90","","10985","5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H78 Ni2 O17 -","- C40 H78 Ni2 O17 -","- C320 H624 Ni16 O136 -","8","1","","Chaboussant, Gr�gory; Basler, Reto; G�del, Hans-Ulrich; Ochsenbein, Stefan; Parkin, Andrew; Parsons, Simon; Rajaraman, Gopalan; Sieber, Andreas; Smith, Andrew A.; Timco, Grigore A.; Winpenny, Richard E. P.","Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies","Dalton Transactions","2004","","17","2758","2766","10.1039/b406112h","","","0.71073","MoKα","","0.0829","0.0613","","","0.171","0.1818","","","","","","1.036","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7027864","15.929","0.002","15.433","0.002","42.067","0.007","90","","90","","90","","10341","3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32.5 H82 Ni4 O20.5 -","- C32.5 H82 Ni4 O20.5 -","- C260 H656 Ni32 O164 -","8","1","","Chaboussant, Gr�gory; Basler, Reto; G�del, Hans-Ulrich; Ochsenbein, Stefan; Parkin, Andrew; Parsons, Simon; Rajaraman, Gopalan; Sieber, Andreas; Smith, Andrew A.; Timco, Grigore A.; Winpenny, Richard E. P.","Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies","Dalton Transactions","2004","","17","2758","2766","10.1039/b406112h","","","1.54184","CuKα","","0.087","0.0615","","","0.1599","0.1737","","","","","","1.064","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7027903","17.139","0.004","20.84","0.004","24.965","0.005","90","","90","","90","","8917","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H48 Cl3 N10 Nd O12 -","- C38 H48 Cl3 N10 Nd O12 -","- C304 H384 Cl24 N80 Nd8 O96 -","8","1","","Feng, Chang-Jian; Luo, Qin-Hui; Duan, Chun-Ying; Shen, Meng-Chang; Liu, Yong-Jiang","Synthesis and crystal structural characterization of an unsymmetric neodymium(III) cryptate","Journal of the Chemical Society, Dalton Transactions","1998","","8","1377","","10.1039/a800570b","","","0.71073","MoKα","","0.2695","0.0768","","0.2248","0.137","","","","0.945","1.391","1.391","","","","","has coordinates,has disorder","179985","2020-10-21","18:00:00",""
"7027906","11.37","0.003","14.848","0.004","23.811","0.009","90","","90","","90","","4020","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl2 Ge O6 W2 -","- C16 H10 Cl2 Ge O6 W2 -","- C128 H80 Cl16 Ge8 O48 W16 -","8","1","","Filippou, Alexander C.; Winter, Johannes G.; Kociok-Köhn, Gabriele; Hinz, Isolde","Dimetallagermanes of molybdenum and tungsten: synthesis, structure and reactions","Journal of the Chemical Society, Dalton Transactions","1998","","12","2029","","10.1039/a801380b","","","0.71073","MoKα","","0.0477","0.0391","","0.1092","0.0969","","","","1.028","1.048","1.048","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027907","11.295","0.002","14.832","0.003","23.68","0.006","90","","90","","90","","3967","1.5","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl2 Ge Mo2 O6 -","- C16 H10 Cl2 Ge Mo2 O6 -","- C128 H80 Cl16 Ge8 Mo16 O48 -","8","1","","Filippou, Alexander C.; Winter, Johannes G.; Kociok-Köhn, Gabriele; Hinz, Isolde","Dimetallagermanes of molybdenum and tungsten: synthesis, structure and reactions","Journal of the Chemical Society, Dalton Transactions","1998","","12","2029","","10.1039/a801380b","","","0.71073","MoKα","","0.0532","0.0367","","0.1188","0.0855","","","","0.939","1.023","1.023","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027912","18.849","0.011","20.303","0.009","23.301","0.009","90","","90","","90","","8917","7","173","2","173","2","","","","","","","diffusion of diethylether into dichloromethane","7","P b c a","-P 2ac 2ab","61","","","","- C52 H40 B Cu F4 N4 P2 -","- C52 H40 B Cu F4 N4 P2 -","- C416 H320 B8 Cu8 F32 N32 P16 -","8","1","","Scott, Sonya M.; Gordon, Keith C.; Burrell, Anthony K.","Evidence for the localisation of electronic charge in electrochemically reduced copper(I) complexes with electron deficient ligands: a structural and spectroelectrochemical study ‡","Journal of the Chemical Society, Dalton Transactions","1998","","17","2873","","10.1039/a804389b","","","0.71073","MoKα","","0.0904","0.0369","","0.0941","0.0812","","","","0.959","1.085","1.085","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7028097","12.349","0.001","12.966","0.001","19.607","0.001","90","","90","","90","","3139.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rhenium(I)tetracarbonyl(4-methyl-2phenylpyridinate)","","- C16 H10 N O4 Re -","- C16 H10 N O4 Re -","- C128 H80 N8 O32 Re8 -","8","1","","Vanhelmont, Frederik W. M.; Rajasekharan, Melath V.; Güdel, Hans U.; Capelli, Silvia C.; Hauser, Jürg; Bürgi, Hans-Beat","Influence of electron donor and acceptor substituents on the excited state properties of rhenium(I) tetracarbonyl chelate complexes","Journal of the Chemical Society, Dalton Transactions","1998","","17","2893","","10.1039/a803465f","","","0.71073","MoKα","","0.0622","0.0323","","","0.0569","0.0648","","","","","","1.308","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028129","15.346","0.003","19.721","0.003","22.744","0.004","90","","90","","90","","6883","2","273.2","","273.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 N4 O4 Ru -","- C37 H49 N4 O4 Ru -","- C296 H392 N32 O32 Ru8 -","8","1","","Chan, Pui-Ming; Yu, Wing-Yiu; Che, Chi-Ming; Cheung, Kung-Kai","Nitrido-ruthenium(VI) and -osmium(VI) complexes containing chelating multianionic (N, O) ligands. Synthesis, crystal structures and reactions with triphenylphosphine","Journal of the Chemical Society, Dalton Transactions","1998","","19","3183","","10.1039/a804204g","","","0.7107","MoKalpha","","","0.0423","","","0.0561","","","","","2.143","2.143","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028130","19.816","0.002","22.746","0.004","15.43","0.002","90","","90","","90","","6954.8","1.7","301.2","","301.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 N4 O4 Os -","- C37 H49 N4 O4 Os -","- C296 H392 N32 O32 Os8 -","8","1","","Chan, Pui-Ming; Yu, Wing-Yiu; Che, Chi-Ming; Cheung, Kung-Kai","Nitrido-ruthenium(VI) and -osmium(VI) complexes containing chelating multianionic (N, O) ligands. Synthesis, crystal structures and reactions with triphenylphosphine","Journal of the Chemical Society, Dalton Transactions","1998","","19","3183","","10.1039/a804204g","","","0.7107","MoKalpha","","","0.0315","","","0.0409","","","","","1.289","1.289","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028155","23.455","0.004","11.1793","0.0014","10.3097","0.0012","90","","90","","90","","2703.3","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N O2 S Sn -","- C12 H15 N O2 S Sn -","- C96 H120 N8 O16 S8 Sn8 -","8","1","","Casas, José S.; Castiñeiras, Alfonso; Couce, Maria D.; Playá, Nuria; Russo, Umberto; Sánchez, Agustin; Sordo, José; Varela, José Ma","Supramolecular organization in catena-poly{diethyl[3-(2-pyridyl)-2-sulfanylpropenoato]tin(IV)} and related diorganotin(IV) sulfanylcarboxylato compounds","Journal of the Chemical Society, Dalton Transactions","1998","","9","1513","","10.1039/a708202i","","","0.71073","MoKα","","0.1268","0.0527","","","0.0821","0.1001","","","","","","1.008","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028163","19.1132","0.0018","22.6366","0.0021","28.0759","0.0048","90","","90","","90","","12147","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H60 F6 Mn N O3 P5 Tl -","- C59.65 H52.5 F6 Mn N O3 P5 Tl -","- C477.2 H420 F48 Mn8 N8 O24 P40 Tl8 -","8","1","","Connelly, Neil G.; Hicks, Owen M.; Lewis, Gareth R.; Moreno, M. Teresa; Orpen, A. Guy","Novel N-bound thallium(I) complexes of redox-active cyanomanganese carbonyl ligands: cyanide as a μ3-κC∶κN∶κN triply bridging ligand","Journal of the Chemical Society, Dalton Transactions","1998","","11","1913","","10.1039/a800765i","","","0.71073","MoKα","","0.1321","0.1266","","0.2868","0.2836","","","","1.26","1.303","1.303","","","","","has coordinates,has disorder","179987","2020-10-21","18:00:00",""
"7028194","10.1223","0.0004","13.1066","0.0006","12.8194","0.0005","90","","90","","90","","1700.74","0.12","153","1","153","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B2 Cr F8 N4 -","- C8 H12 B2 Cr F8 N4 -","- C32 H48 B8 Cr4 F32 N16 -","4","0.5","","Henriques, Rui T.; Herdtweck, Eberhardt; Kühn, Fritz E.; Lopes, André D.; Mink, Janos; Romão, Carlos C.","Synthesis, characterization, and reactions of tetrakis(nitrile)chromium(II) tetrafluoroborate complexes †","Journal of the Chemical Society, Dalton Transactions","1998","","8","1293","","10.1039/a708988k","","","0.71073","MoKα","","0.0432","0.037","","0.1023","0.0978","","","","1.075","1.118","1.118","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028254","11.6474","0.0006","6.516","0.0003","19.997","0.001","90","","90","","90","","1517.66","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(methoxy(furan-2-yl)methylidene) gold(I) chloride","(methoxy(furan-2-yl)methylidene) gold(I) chloride","","- C6 H6 Au Cl O2 -","- C6 H6 Au Cl O2 -","- C48 H48 Au8 Cl8 O16 -","8","1","","Bezuidenhout, Daniela I.; van der Westhuizen, Belinda; Rosenthal, Amos J.; Wörle, Michael; Liles, David C.; Fernández, Israel","Fischer-type gold(I) carbene complexes stabilized by aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","398","401","10.1039/c3dt52961d","","x-ray","0.71073","MoKα","","0.0249","0.0169","","","0.0262","0.0278","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028319","19.765","0.002","20.851","0.002","28.856","0.003","90","","90","","90","","11892","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H54 Cu2 Na2 O18 Si6 -","- C48 H54 Cu2 Na2 O18 Si6 -","- C384 H432 Cu16 Na16 O144 Si48 -","8","1","","Dronova, Marina S.; Bilyachenko, Alexey N.; Yalymov, Alexey I.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Levitsky, Mikhail M.; Shubina, Elena S.; Shul'pin, Georgiy B.","Solvent-controlled synthesis of tetranuclear cage-like copper(II) silsesquioxanes. Remarkable features of the cage structures and their high catalytic activity in oxidation with peroxides.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","872","882","10.1039/c3dt52508b","","","0.71073","MoKα","","0.1181","0.0684","","","0.1573","0.17","","","","","","1.003","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028326","21.7209","0.001","10.3274","0.0005","33.4874","0.0016","90","","90","","90","","7511.9","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H47 D6 Ir2 N P2 -","- C40 H46.1 Ir2 N P2 -","- C320 H368.8 Ir16 N8 P16 -","8","1","","Mena, Inmaculada; Casado, Miguel A.; Polo, Víctor; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.","P-H activation of secondary phosphanes on a parent amido diiridium complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1609","1619","10.1039/c3dt52911h","","","0.71073","MoKα","","0.0488","0.0419","","","0.0847","0.0871","","","","","","1.214","","","","has coordinates,has disorder","179989","2020-10-21","18:00:00",""
"7028340","17.721","0.003","19.269","0.003","21.462","0.003","90","","90","","90","","7329","2","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H40 Cl2 N6 O9 Zn -","- C37 H36 Cl2 N6 O9 Zn -","- C296 H288 Cl16 N48 O72 Zn8 -","8","1","","Mikata, Yuji; Nodomi, Yuki; Kizu, Asako; Konno, Hideo","Quinoline-attached triazacyclononane (TACN) derivatives as fluorescent zinc sensors.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1684","1690","10.1039/c3dt52107a","","","0.7107","MoKα","","","0.0596","","","","0.141","","","","","","1.169","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028411","19.3028","0.0006","14.8149","0.0004","23.5131","0.0005","90","","90","","90","","6724","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H82 Cl6 N4 Pd2 -","- C66 H82 Cl6 N4 Pd2 -","- C264 H328 Cl24 N16 Pd8 -","4","0.5","","Zhu, Liang; Fu, Zhi-Sheng; Pan, Hui-Jie; Feng, Wei; Chen, Changle; Fan, Zhi-Qiang","Synthesis and application of binuclear α-diimine nickel/palladium catalysts with a conjugated backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2900","2906","10.1039/c3dt51782a","","","0.71073","MoKα","","0.0912","0.0587","","","0.144","0.1646","","","","","","1.038","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028491","15.5811","0.0002","14.2098","0.0002","22.6877","0.0003","90","","90","","90","","5023.15","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl O8 Ru S4 -","- C21 H27 Cl O8 Ru S4 -","- C168 H216 Cl8 O64 Ru8 S32 -","8","1","","Agarwala, Hemlata; Scherer, Thomas Michael; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Bidirectional non-innocence of the β-diketonato ligand 9-oxidophenalenone (L(-)) in [Ru([9]aneS3)(L)(dmso)](n), [9]aneS3 = 1,4,7-trithiacyclononane.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3939","3948","10.1039/c3dt53069h","","","0.71073","MoKα","","0.0445","0.0418","","","0.1062","0.1093","","","","","","1.033","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028495","23.0635","0.0018","26.169","0.0019","38.199","0.003","90","","90","","90","","23055","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H56 N5 Na2 O89 P2 Re2 W23 -","- C21 H51 N5 Na2 O89 P2 Re2 W23 -","- C168 H408 N40 Na16 O712 P16 Re16 W184 -","8","1","","Zhao, Chongchao; Glass, Elliot N.; Sumliner, Jordan M.; Bacsa, John; Kim, Daniel Taehyun; Guo, Weiwei; Hill, Craig L.","Complexation of metal carbonyl units with [α-PW11O39](7-) and [α2-P2W17O61](10-): insights into the chiral ""twisted-sandwich"" dimeric structures.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","4040","4047","10.1039/c3dt53374c","","","0.71073","MoKα","","0.1951","0.1","","","0.2082","0.2679","","","","","","1.056","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028539","11.1784","0.0007","18.689","0.0009","19.5725","0.0009","90","","90","","90","","4089","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H40 Mn2 N8 O16 -","- C38 H40 Mn2 N8 O16 -","- C152 H160 Mn8 N32 O64 -","4","0.5","","Sutradhar, Manas; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Alegria, Elisabete C. B. A.; Liu, Cai-Ming; Pombeiro, Armando J. L.","Dinuclear Mn(ii,ii) complexes: magnetic properties and microwave assisted oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3966","3977","10.1039/c3dt52774c","","","0.71069","MoKα","","0.1143","0.0519","","","0.1018","0.1233","","","","","","0.973","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028550","10.532","0.005","17.981","0.005","26.275","0.005","90","","90","","90","","4976","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H46 Cl4 Cu2 Mn N4 O10 -","- C50 H46 Cl4 Cu2 Mn N4 O10 -","- C200 H184 Cl16 Cu8 Mn4 N16 O40 -","4","0.5","","Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh","Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","990","998","10.1039/c3dt52012a","","","0.71073","MoKα","","0.1022","0.0604","","","0.1548","0.1779","","","","","","1.02","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028685","12.6402","0.0004","13.777","0.0008","14.1348","0.0005","90","","90","","90","","2461.49","0.18","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 I3 N4 S -","- C4 H9 I3 N4 S -","- C32 H72 I24 N32 S8 -","8","1","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0564","0.0367","","","0.0635","0.0716","","","","","","1.04","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028791","10.3386","0.0007","20.4403","0.0013","32.986","0.002","90","","90","","90","","6970.7","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H44 N3 O4 P2 -","- C39 H44 N3 O4 P2 -","- C312 H352 N24 O32 P16 -","8","1","","Johnson, Kevin R. D.; Hayes, Paul G.","A cascade reaction: ring-opening insertion of dioxaphospholane into lutetium alkyl bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2448","2457","10.1039/c3dt52790e","","","0.71073","MoKα","","0.0475","0.0382","","","0.0986","0.1054","","","","","","1.053","","","","has coordinates,has disorder","179993","2020-10-21","18:00:00",""
"7028914","23.4906","0.0007","20.2128","0.0007","33.1958","0.0008","90","","90","","90","","15761.7","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Fe(aIPr-H)(O6C10H20K)]2","","- C74 H110 Fe2 K2 N4 O12 -","- C74 H110 Fe2 K2 N4 O12 -","- C592 H880 Fe16 K16 N32 O96 -","8","1","","Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.","Iron(ii) complexes of ditopic carbanionic carbenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4335","4344","10.1039/c3dt52638k","","","1.54178","CuKα","","0.1338","0.0751","","","0.1787","0.2035","","","","","","1.012","","","","has coordinates,has disorder","179995","2020-10-21","18:00:00",""
"7028920","10.5097","0.0002","12.3812","0.0002","33.8422","0.0005","90","","90","","90","","4403.64","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Hf N3 -","- C24 H31 Hf N3 -","- C192 H248 Hf8 N24 -","8","1","","Luconi, Lapo; Klosin, Jerzy; Smith, Austin J.; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano","Additional Article Notification: Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2014","43","11","4593","4602","10.1039/c4dt90024c","","","0.71073","MoKα","","0.0258","0.0207","","","0.0374","0.0387","","","","","","1.198","","","","has coordinates","179995","2020-10-21","18:00:00",""
"7029068","10.3014","0.0003","18.1303","0.0005","35.8617","0.0012","90","","90","","90","","6697.8","0.3","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br Cl O2 Pt S3 -","- C12 H14 Br Cl O2 Pt S3 -","- C192 H224 Br16 Cl16 O32 Pt16 S48 -","16","2","","Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang","Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3072","3086","10.1039/c3dt52284a","","","0.71073","MoKα","","0.1527","0.047","","","0.057","0.0729","","","","","","0.898","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029089","11.6287","0.0006","13.8824","0.0007","20.0682","0.001","90","","90","","90","","3239.7","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 F6 N2 O3 P -","- C12 H21 F6 N2 O3 P -","- C96 H168 F48 N16 O24 P8 -","8","1","","Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W.","N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3153","3161","10.1039/c3dt53001a","","","0.7107","MoKα","","0.0885","0.0618","","","0.1604","0.1873","","","","","","1.06","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029116","8.8141","0.0008","15.9546","0.0015","19.374","0.0018","90","","90","","90","","2724.5","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Au Cl4 S3 -","- C6 H11 Au Cl4 S3 -","- C48 H88 Au8 Cl32 S24 -","8","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0246","","","","0.0519","","","","","","1.094","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029183","11.6393","0.0008","8.6453","0.0006","17.1298","0.0012","90","","90","","90","","1723.7","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H16 N2 -","- C7 H16 N2 -","- C56 H128 N16 -","8","1","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0396","0.0358","","","0.094","0.0975","","","","","","1.035","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029184","20.082","0.002","13.865","0.001","9.382","0.0007","90","","90","","90","","2612.3","0.4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Fe N2 -","- C16 H16 Fe N2 -","- C128 H128 Fe8 N16 -","8","1","","Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich","Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3508","3520","10.1039/c3dt52669k","","","0.71073","MoKα","","0.0674","0.0342","","","0.0583","0.0649","","","","","","0.878","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029197","18.737","0.002","20.667","0.003","23.441","0.003","90","","90","","90","","9077","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C100 H74 N16 O17 Zn4 -","- C100 H74 N16 O17 Zn4 -","- C400 H296 N64 O68 Zn16 -","4","0.5","","Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang","Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3704","3715","10.1039/c3dt52910j","","","0.71073","MoKα","","0.1901","0.0828","","","0.1536","0.199","","","","","","1.103","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029287","13.237","0.003","13.95","0.003","18.147","0.004","90","","90","","90","","3351","1.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H19 B10 P S3 -","- C6 H19 B10 P S3 -","- C48 H152 B80 P8 S24 -","8","1","","Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang","1,3,2-Dithiaphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit: formation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5021","5043","10.1039/c3dt52753k","","","0.71073","MoKα","","0.1125","0.0717","","","0.127","0.1391","","","","","","1.15","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029288","15.802","0.003","13.219","0.003","20.265","0.004","90","","90","","90","","4233.1","1.5","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 B20 Cl4 P4 S4 -","- C20 H40 B20 Cl4 P4 S4 -","- C80 H160 B80 Cl16 P16 S16 -","4","0.5","","Wrackmeyer, Bernd; Klimkina, Elena V.; Milius, Wolfgang","1,3,2-Dithiaphospholanes with an annelated 1,2-dicarba-closo-dodecaborane(12) unit: formation and reactivity.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5021","5043","10.1039/c3dt52753k","","","0.71073","MoKα","","0.0901","0.0621","","","0.1201","0.1291","","","","","","1.125","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029290","19.6288","0.0005","24.6607","0.0007","24.6974","0.0007","90","","90","","90","","11955","0.6","132","2","132","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H89 Cl Fe Ge N2 O3 Si2 -","- C59 H89 Cl Fe Ge N2 O3 Si2 -","- C472 H712 Cl8 Fe8 Ge8 N16 O24 Si16 -","8","1","","Jana, Anukul; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","NHC-coordinated silagermenylidene functionalized in allylic position and its behaviour as a ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5175","5181","10.1039/c4dt00094c","","","0.71073","MoKα","","0.0732","0.0442","","","0.0995","0.1131","","","","","","1.022","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029301","14.9436","0.0012","13.3925","0.001","16.7499","0.0013","90","","90","","90","","3352.2","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C96 H176 B80 Co16 -","8","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0654","0.0611","","","0.1447","0.1461","","","","","","1.351","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029306","14.8157","0.0018","13.3179","0.0018","16.818","0.002","90","","90","","90","","3318.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C96 H176 B80 Co16 -","8","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Asymmetric 1,8/13,2,x-M2C2B10 14-vertex metallacarboranes by direct electrophilic insertion reactions; the VCD and BHD methods in critical analysis of cage C atom positions.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5095","5105","10.1039/c3dt52101j","","","0.71073","MoKα","","0.0429","0.0323","","","0.0791","0.084","","","","","","1.024","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029308","11.6375","0.0006","10.1626","0.0006","27.496","0.002","90","","90","","90","","3251.9","0.3","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H23 B10 N O -","- C8 H23 B10 N O -","- C64 H184 B80 N8 O8 -","8","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.1169","0.0744","","","0.2061","0.238","","","","","","1.044","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029323","11.6357","0.0009","9.7575","0.0008","31.537","0.004","90","","90","","90","","3580.6","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H30 B10 O2 -","- C11 H30 B10 O2 -","- C88 H240 B80 O16 -","8","1","","Neumann, Wilma; Hiller, Markus; Lönnecke, Peter; Hey-Hawkins, Evamarie","Reduction of hydroxy-functionalised carbaboranyl carboxylic acids to tertiary alcohols by organolithium reagents.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","4935","4937","10.1039/c3dt52826j","","","0.71073","MoKα","","0.1001","0.0529","","","0.1129","0.1356","","","","","","1.012","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029344","12.6418","0.0005","14.1465","0.0005","17.4999","0.0007","90","","90","","90","","3129.6","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H21 B9 S -","- C10 H21 B9 S -","- C80 H168 B72 S8 -","8","1","","Zakharova, Maria V.; Sivaev, Igor B.; Anufriev, Sergey A.; Timofeev, Sergey V.; Suponitsky, Kyrill Yu; Godovikov, Ivan A.; Bregadze, Vladimir I.","A new approach to the synthesis of functional derivatives of nido-carborane: alkylation of [9-MeS-nido-7,8-C2B9H11](-).","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5044","5053","10.1039/c3dt52845f","","","0.71073","MoKα","","0.0771","0.0457","","","0.0995","0.1153","","","","","","1.096","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029359","10.9428","0.0002","23.9074","0.0004","26.1834","0.0005","90","","90","","90","","6849.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H30 F3 N3 O5 Pd -","- C39 H30 F3 N3 O5 Pd -","- C312 H240 F24 N24 O40 Pd8 -","8","1","","Han, Jianlin; Ono, Taizo; Uekusa, Hidehiro; Klika, Karel D.; Soloshonok, Vadim A.","Substituent-controlled preference of carbonyl group-metal coordination in d(8) metal complexes with non-symmetric pentadentate ligands. Structural and stereochemical aspects.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5375","5381","10.1039/c3dt53312c","","x-ray","1.54186","CuKα","","0.0997","0.0584","","","0.1344","0.1883","","","","","","1.109","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029364","12.3799","0.001","23.828","0.002","39.619","0.003","90","","90","","90","","11687.1","1.6","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H91 N5 Na O4 Si2 Sm -","- C50 H91 N5 Na O4 Si2 Sm -","- C400 H728 N40 Na8 O32 Si16 Sm8 -","8","1","","Liu, Peng; Chen, Hongxia; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","Synthesis of γ-amidine-functionalized dianionic β-diketiminato lanthanide amides and trianionic β-diketiminato Na/Sm heterobimetallic complexes and their reactivity in polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5586","5594","10.1039/c3dt52706a","","","0.71075","MoKα","","0.1469","0.1198","","","0.1727","0.1822","","","","","","1.344","","","","has coordinates,has disorder","179999","2020-10-21","18:00:00",""
"7029419","30.259","0.008","10.1335","0.0011","39.92","0.01","90","","90","","90","","12241","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Cl2 Ir N4 O6 -","- C30 H31 Cl2 Ir N4 O6 -","- C480 H496 Cl32 Ir16 N64 O96 -","16","2","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0378","0.0276","","","0.0471","0.0503","","","","","","1.231","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029465","8.4532","0.0005","11.4651","0.0008","32.826","0.003","90","","90","","90","","3181.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Cl2 Mo N3 O2 -","- C13 H17 Cl2 Mo N3 O2 -","- C104 H136 Cl16 Mo8 N24 O16 -","8","1","","Amarante, Tatiana R.; Neves, Patrícia; Paz, Filipe A Almeida; Valente, Anabela A.; Pillinger, Martyn; Gonçalves, Isabel S","Investigation of a dichlorodioxomolybdenum(vi)-pyrazolylpyridine complex and a hybrid derivative as catalysts in olefin epoxidation.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6059","6069","10.1039/c3dt52981a","","","0.71073","MoKα","","0.0898","0.0448","","","0.08","0.0927","","","","","","0.996","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029489","13.929","0.0005","7.5261","0.0002","19.2572","0.0009","90","","90","","90","","2018.75","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H8 Mn N2 Se3 Sn -","- C2 H8 Mn N2 Se3 Sn -","- C16 H64 Mn8 N16 Se24 Sn8 -","8","1","","Du, Cheng-Feng; Feng, Mei-Ling; Li, Jian-Rong; Zou, Guo-Dong; Du, Ke-Zhao; Huang, Xiao-Ying","Assembly and structural transformation of organic-decorated manganese selenidostannates.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","6002","6005","10.1039/c3dt53346h","","","0.71073","MoKα","","0.0631","0.0478","","","0.1221","0.1338","","","","","","1.046","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7029537","22.0732","0.0012","21.3598","0.0011","23.0604","0.0012","90","","90","","90","","10872.5","1","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cl6 Ir2 N4 O8 S4 -","- C50 H44 Cl6 Ir2 N4 O8 S4 -","- C400 H352 Cl48 Ir16 N32 O64 S32 -","8","1","","Constable, Edwin C.; Ertl, Cathrin D.; Housecroft, Catherine E.; Zampese, Jennifer A.","Green-emitting iridium(iii) complexes containing sulfanyl- or sulfone-functionalized cyclometallating 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5343","5356","10.1039/c3dt53626b","","","1.54178","CuKα","","0.082","0.047","","","0.1111","0.1295","","","","","","1.008","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029566","15.5175","0.0019","19.188","0.003","20.05","0.003","90","","90","","90","","5969.9","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 O S Sn -","- C32 H36 O S Sn -","- C256 H288 O8 S8 Sn8 -","8","1","","Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.","Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6880","6890","10.1039/c3dt53469c","","","0.71073","MoKα","","0.1935","0.044","","","0.1022","0.1444","","","","","","0.772","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029576","7.259","0.003","24.773","0.008","11.352","0.004","90","","90","","90","","2041.4","1.3","113","","113","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H7 N -","- C15 H7 N -","- C120 H56 N8 -","8","1","","Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro","A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6643","6649","10.1039/c3dt53629g","","","0.7107","MoKα","","","0.0447","","","","0.1165","","","","","","1.279","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029594","16.559","0.002","18.003","0.003","30.578","0.005","90","","90","","90","","9116","2","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H27 Cl4 Co P3 -","- C15 H27 Cl4 Co P3 -","- C240 H432 Cl64 Co16 P48 -","16","2","","Li, Junye; Li, Xiaoyan; Wang, Lin; Hu, Qingping; Sun, Hongjian","C-Cl bond activation and catalytic hydrodechlorination of hexachlorobenzene by cobalt and nickel complexes with sodium formate as a reducing agent.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6660","6666","10.1039/c3dt52985a","","","0.71073","MoKα","","0.0563","0.035","","","0.0819","0.0933","","","","","","0.997","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029665","12.835","0.003","9.381","0.0019","28.713","0.006","90","","90","","90","","3457.2","1.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C160 H168 N24 O16 -","8","1","","Lee, Seul Ah; You, Ga Rim; Choi, Ye Won; Jo, Hyun Yong; Kim, Ah Ram; Noh, Insup; Kim, Sung-Jin; Kim, Youngmee; Kim, Cheal","A new multifunctional Schiff base as a fluorescence sensor for Al(3+) and a colorimetric sensor for CN(-) in aqueous media: an application to bioimaging.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6650","6659","10.1039/c4dt00361f","","","0.71073","MoKα","","0.1587","0.0607","","","0.1328","0.1596","","","","","","0.769","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029723","24.339","0.001","20.262","0.001","32.155","0.002","90","","90","","90","","15857.5","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H108 Cr I6 N3 O12 -","- C66 H108 Cr I6 N3 O12 -","- C528 H864 Cr8 I48 N24 O96 -","8","1","","Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria","Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7006","7019","10.1039/c4dt00127c","","","0.71073","MoKα","","0.1069","0.057","","","0.1206","0.1416","","","","","","1.064","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029730","19.2484","0.0007","20.4463","0.0006","23.1053","0.0008","90","","90","","90","","9093.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H65 Lu N P Si2 -","- C44 H65 Lu N P Si2 -","- C352 H520 Lu8 N8 P8 Si16 -","8","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0656","0.0309","","","0.0405","0.0452","","","","","","0.866","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029731","19.4018","0.0013","20.3212","0.0012","23.1462","0.0014","90","","90","","90","","9125.8","1","466","2","466","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H65 N P Si2 Y -","- C44 H65 N P Si2 Y -","- C352 H520 N8 P8 Si16 Y8 -","8","1","","Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg","Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7109","7120","10.1039/c3dt53596g","","","0.71073","MoKα","","0.0918","0.0355","","","0.0683","0.0981","","","","","","0.829","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7029734","9.4261","0.0008","20.84","0.0009","24.3248","0.0013","90","","90","","90","","4778.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,3-(4-Chlorobenzo)-18-crown-6, 2,3-Benzo-18-crown-6,oxonium tetrachloroaurate","2,3-(4-Chlorobenzo)-1,4,7,10,13,16-Hexaoxacycloocta-deca-2-ene, 2,3-Benzo-1,4,7,10,13,16-Hexaoxacycloocta-deca-2-ene,oxonium tetrachloroaurate","","- C16 H26.58 Au Cl4.42 O7 -","- C16 H26.584 Au Cl4.416 O7 -","- C128 H212.672 Au8 Cl35.328 O56 -","8","1","","Pluzhnik-Gladyr, Sergei M; Kravtsov, Victor Ch; Fonari, Marina S; Kamalov, Gerbert L","Halogen impact into new oxonium benzo-crown ether complexes with tetrachloro- and tetrabromoaurates(iii).","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7087","7095","10.1039/c4dt00017j","","","0.71073","MoKα","","0.1121","0.0577","","","0.1078","0.1336","","","","","","1.072","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029756","18.584","0.0016","12.1241","0.0018","22.384","0.0006","90","","90","","90","","5043.4","0.9","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 B2 N4 O3 Sb -","- C24 H31 B2 N4 O3 Sb -","- C192 H248 B16 N32 O24 Sb8 -","8","1","","Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor","Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7096","7108","10.1039/c3dt53012d","","","0.71073","MoKα","","0.0571","0.0339","","","0.0554","0.0641","","","","","","1.158","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029773","22.019","0.0011","32.552","0.0017","47.334","0.003","90","","90","","90","","33927","3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H59 Cr2 F36 N17 P6 -","- C70 H59 Cr2 F36 N17 P6 -","- C1120 H944 Cr32 F576 N272 P96 -","16","2","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A","The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7227","7235","10.1039/c4dt00200h","","","1.54178","CuKα","","0.1232","0.0782","","","0.1973","0.2219","","","","","","1.056","","","","has coordinates,has disorder","180003","2020-10-21","18:00:00",""
"7029775","12.6552","0.0009","19.1818","0.0013","36.81","0.003","90","","90","","90","","8935.6","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H35 Cr F18 N9 P3 -","- C38 H35 Cr F18 N9 P3 -","- C304 H280 Cr8 F144 N72 P24 -","8","1","","Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A","The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7227","7235","10.1039/c4dt00200h","","","1.54178","CuKα","","0.0356","0.0339","","","0.0908","0.0921","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029825","7.563","0.0002","18.4368","0.0006","27.0336","0.0008","90","","90","","90","","3769.5","0.19","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H18 K N3 -","- C24 H18 K N3 -","- C192 H144 K8 N24 -","8","1","","Tseng, Chia-Kai; Lee, Chi-Rung; Tseng, Mei-Chun; Han, Chien-Chung; Shyu, Shin-Guang","Reactivity of [K3(phen)8][Cu(NPh2)2]3-a possible intermediate in the copper(i)-catalyzed N-arylation of N-phenylaniline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7020","7027","10.1039/c4dt00051j","","","0.71073","MoKα","","0.0586","0.0408","","","0.1106","0.1202","","","","","","1.188","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029857","38.966","0.002","22.2805","0.0009","14.1432","0.0004","90","","90","","90","","12278.9","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H81 Cl2 N2 P Ru -","- C57 H81 Cl2 N2 P Ru -","- C456 H648 Cl16 N16 P8 Ru8 -","8","1","","Rouen, Mathieu; Borré, Etienne; Falivene, Laura; Toupet, Loic; Berthod, Mikaël; Cavallo, Luigi; Olivier-Bourbigou, Hélène; Mauduit, Marc","Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7044","7049","10.1039/c4dt00142g","","","0.71073","MoKα","","0.1124","0.0824","","","0.1809","0.1924","","","","","","1.103","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029863","13.3741","0.0008","13.7633","0.0007","16.0355","0.0008","90","","90","","90","","2951.7","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Al B5 Cu N4 O10 -","- C4 H16 Al B5 Cu N4 O10 -","- C32 H128 Al8 B40 Cu8 N32 O80 -","8","1","","Cheng, Lin; Zhao, Jun-Wei; Yang, Guo-Yu","Two Cu-complex directed aluminoborates: from 2D layers to 3D frameworks.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7324","7330","10.1039/c4dt00511b","","","0.71073","MoKα","","0.081","0.0785","","","0.1563","0.1594","","","","","","1.055","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029865","14.821","0.003","10.615","0.002","25.757","0.006","90","","90","","90","","4052.2","1.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cl Cu N3 O2 -","- C24 H18 Cl Cu N3 O2 -","- C192 H144 Cl8 Cu8 N24 O16 -","8","1","","Cao, Wei; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei","A highly selective and sensitive Zn(ii) complex-based chemosensor for sequential recognition of Cu(ii) and cyanide.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7298","7303","10.1039/c3dt53647e","","","0.71073","MoKα","","0.0486","0.032","","","0.0759","0.0833","","","","","","1.045","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029909","13.0158","0.0002","9.8575","0.0002","20.8946","0.0005","90","","90","","90","","2680.85","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Br2 N8 Ni -","- C26 H32 Br2 N8 Ni -","- C104 H128 Br8 N32 Ni4 -","4","0.5","","Schweinfurth, David; Su, Cheng-Yong; Wei, Shi-Chao; Braunstein, Pierre; Sarkar, Biprajit","Nickel complexes with ""click""-derived pyridyl-triazole ligands: weak intermolecular interactions and catalytic ethylene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12984","12990","10.1039/c2dt31805a","","","1.54178","CuKα","","0.0269","0.0238","","","0.0591","0.0616","","","","","","1.018","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7029924","20.433","0.004","21.915","0.004","27.106","0.005","90","","90","","90","","12138","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C103 H86 Cl12 Co10 N12 O31 P2 -","- C103 H78 Cl12 Co10 N12 O31 P2 -","- C412 H312 Cl48 Co40 N48 O124 P8 -","4","0.5","","Langley, Stuart K.; Helliwell, Madeleine; Teat, Simon J.; Winpenny, Richard E. P.","Synthesis and characterisation of cobalt(II) phosphonate cage complexes utilizing carboxylates and pyridonates as co-ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12807","12817","10.1039/c2dt31612a","","","0.6902","synchrotron","","0.0443","0.0351","","","0.1087","0.1191","","","","","","1.064","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029934","18.1644","0.0019","19.478","0.002","22.21","0.002","90","","90","","90","","7858","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H54 B10 N2 -","- C37 H54 B10 N2 -","- C296 H432 B80 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12907","12914","10.1039/c2dt31765f","","","0.71073","MoKα","","0.1942","0.0635","","","0.1305","0.1905","","","","","","1.039","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029992","14.4792","0.0013","15.5345","0.0014","15.9289","0.0015","90","","90","","90","","3582.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Co2 N12 S4 -","- C28 H36 Co2 N12 S4 -","- C112 H144 Co8 N48 S16 -","4","0.5","","Martínez-Calvo, Miguel; Romero, María J; Pedrido, Rosa; González-Noya, Ana M; Zaragoza, Guillermo; Bermejo, Manuel R.","Metal self-recognition: a pathway to control the formation of dihelicates and mesocates.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13395","13404","10.1039/c2dt31770b","","x-ray","0.7107","MoKα","","0.1303","0.0759","","","0.176","0.1979","","","","","","1.061","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030011","9.574","0.003","22.596","0.007","30.9","0.009","90","","90","","90","","6685","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H31 N3 Ni O7 -","- C36 H29 N3 Ni O7 -","- C288 H232 N24 Ni8 O56 -","8","1","","Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun","A series of Ni(II)-flavonolate complexes as structural and functional ES (enzyme-substrate) models of the Ni(II)-containing quercetin 2,3-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6480","6489","10.1039/c3dt53349b","","","0.71073","MoKα","","0.1526","0.0695","","","0.1866","0.2221","","","","","","1.003","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030022","14.9351","0.0007","15.2381","0.0007","23.2704","0.001","90","","90","","90","","5295.9","0.4","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cu F6 N4 O7 S2 -","- C20 H20 Cu F6 N4 O7 S2 -","- C160 H160 Cu8 F48 N32 O56 S16 -","8","1","","Porras Gutiérrez, Ana Gabriela; Zeitouny, Joceline; Gomila, Antoine; Douziech, Bénédicte; Cosquer, Nathalie; Conan, Françoise; Reinaud, Olivia; Hapiot, Philippe; Le Mest, Yves; Lagrost, Corinne; Le Poul, Nicolas","Insights into water coordination associated with the Cu(II)/Cu(I) electron transfer at a biomimetic Cu centre.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6436","6445","10.1039/c3dt53548g","","","0.71073","MoKα","","0.0499","0.0394","","","0.1065","0.1121","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7030098","12.986","0.0007","19.7953","0.0011","21.0341","0.0012","90","","90","","90","","5407.1","0.5","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3S,4S and 3R,4R)-4-(carboranylamino)-3-hydroxy-2,2-dimethyl- 3,4-dihydro-2H-benzo[g]chromene-5,10-dione","","- C20 H28 B10 F3 N O6 -","- C20 H28 B10 F3 N O6 -","- C160 H224 B80 F24 N8 O48 -","8","1","","Austin, Christopher J. D.; Kahlert, Jan; Issa, Fatiah; Reed, John H.; Smith, Jason R.; Ioppolo, Joseph A.; Ong, Jennifer A.; Jamie, Joanne F.; Hibbs, David; Rendina, Louis M.","The first indoleamine-2,3-dioxygenase-1 (IDO1) inhibitors containing carborane.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10719","10724","10.1039/c4dt00444b","","","0.71073","MoKα","","0.0686","0.0449","","","0.107","0.1203","","","","","","1.012","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030302","7.8669","0.0003","18.9807","0.0006","26.845","0.001","90","","90","","90","","4008.5","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H7 Cl F12 O2 P2 Ru -","- C14 H7 Cl F12 O2 P2 Ru -","- C112 H56 Cl8 F96 O16 P16 Ru8 -","8","1","","Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor pincer Ru(II) chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12601","12611","10.1039/c2dt31234d","","","0.71073","MoKα","","0.0372","0.029","","","0.0597","0.0627","","","","","","1.03","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030326","11.0878","0.0004","18.8979","0.0006","28.2307","0.0009","90","","90","","90","","5915.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Fe I2 N7 O3 -","- C27 H33 Fe I2 N7 O3 -","- C216 H264 Fe8 I16 N56 O24 -","8","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0334","0.0234","","","0.0464","0.0499","","","","","","1.032","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030328","11.3371","0.0004","19.1168","0.0006","28.6754","0.0009","90","","90","","90","","6214.8","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Fe I2 N7 O3 -","- C27 H33 Fe I2 N7 O3 -","- C216 H264 Fe8 I16 N56 O24 -","8","1","","Klug, Christina M.; McDaniel, Ashley M.; Fiedler, Stephanie R.; Schulte, Kelsey A.; Newell, Brian S.; Shores, Matthew P.","Anion dependence in the spin-crossover properties of a Fe(II) podand complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12577","12585","10.1039/c2dt31213a","","","0.71073","MoKα","","0.0505","0.0308","","","0.0603","0.0674","","","","","","1.032","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030367","17.6574","0.0016","19.6319","0.0018","22.653","0.002","90","","90","","90","","7852.6","1.2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H35 B F15 N O2 Si2 Zr -","- C38 H35 B F15 N O2 Si2 Zr -","- C304 H280 B8 F120 N8 O16 Si16 Zr8 -","8","1","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.0954","0.0443","","","0.0911","0.1114","","","","","","0.995","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030387","16.5026","0.0005","11.4432","0.0003","18.3315","0.0005","90","","90","","90","","3461.77","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H42 N2 O2 P2 Se2 -","- C34 H42 N2 O2 P2 Se2 -","- C136 H168 N8 O8 P8 Se8 -","4","0.5","","Kottalanka, Ravi K.; Adimulam, Harinath; Bhattacharjee, Jayeeta; Vignesh Babu, H.; Panda, Tarun K.","Bis(phosphinoselenoic amides) as versatile chelating ligands for alkaline earth metal (Mg, Ca, Sr and Ba) complexes: syntheses, structure and ε-caprolactone polymerisation.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8757","8766","10.1039/c4dt00669k","","","1.54184","CuKα","","0.0345","0.0327","","","0.088","0.0895","","","","","","1.067","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030443","16.309","0.003","17.791","0.004","18.066","0.004","90","","90","","90","","5241.9","1.9","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H28 B Cl Co F4 N5 -","- C27 H28 B Cl Co F4 N5 -","- C216 H224 B8 Cl8 Co8 F32 N40 -","8","1","","Nebe, Thomas; Beitat, Alexander; Würtele, Christian; Dücker-Benfer, Carlos; van Eldik, Rudi; McKenzie, Christine J.; Schindler, Siegfried","Reinvestigation of the formation of a mononuclear Fe(III) hydroperoxido complex using high pressure kinetics.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7768","7773","10.1039/c0dt00247j","","","0.71073","MoKα","","0.0622","0.0457","","","0.1314","0.1449","","","","","","0.973","","","","has coordinates,has disorder","180010","2020-10-21","18:00:00",""
"7030446","19.105","0.004","17.251","0.004","19.897","0.004","90","","90","","90","","6558","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 F6 Fe N6 O7 S2 -","- C29 H29 F6 Fe N6 O7 S2 -","- C232 H232 F48 Fe8 N48 O56 S16 -","8","1","","Nebe, Thomas; Beitat, Alexander; Würtele, Christian; Dücker-Benfer, Carlos; van Eldik, Rudi; McKenzie, Christine J.; Schindler, Siegfried","Reinvestigation of the formation of a mononuclear Fe(III) hydroperoxido complex using high pressure kinetics.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7768","7773","10.1039/c0dt00247j","","","0.71073","MoKα","","0.1384","0.0587","","","0.1168","0.1367","","","","","","0.871","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030811","14.0659","0.0003","24.2531","0.0005","28.62","0.0007","90","","90","","90","","9763.5","0.4","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H30 Cl2 N2 O2 Pt -","- C23.9679 H25.8204 Cl2 N2 O2 Pt -","- C383.486 H413.126 Cl32 N32 O32 Pt16 -","16","2","","Komiya, Naruyoshi; Okada, Minoru; Fukumoto, Kanako; Iwata, Shotaro; Naota, Takeshi","Solid-state emission enhancement in vaulted trans-bis(salicylaldiminato)platinum(ii) crystals with halogen functionality.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10074","10085","10.1039/c4dt00560k","","","0.71075","MoKα","","","0.0393","","","","0.0993","","","","","","1.046","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030889","11.688","0.0004","8.2858","0.0002","34.9484","0.0011","90","","90","","90","","3384.56","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 K N3 O6 V -","- C14 H15 K N3 O6 V -","- C112 H120 K8 N24 O48 V8 -","8","1","","Dash, Subhashree P.; Panda, Alok K.; Pasayat, Sagarika; Dinda, Rupam; Biswas, Ashis; Tiekink, Edward R. T.; Patil, Yogesh P.; Nethaji, M.; Kaminsky, Werner; Mukhopadhyay, Subhadip; Bhutia, Sujit K.","Syntheses and structural investigation of some alkali metal ion-mediated LV(V)O2(-) (L(2-) = tridentate ONO ligands) species: DNA binding, photo-induced DNA cleavage and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10139","10156","10.1039/c4dt00883a","","","0.71069","MoKα","","0.0956","0.0464","","","0.0924","0.109","","","","","","1.026","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030940","21.649","0.005","22.032","0.005","45.231","0.01","90","","90","","90","","21574","8","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C116 H88 B F20 Lu N6 P4 -","- C116 H88 B F20 Lu N6 P4 -","- C928 H704 B8 F160 Lu8 N48 P32 -","8","1","","Zamora, Matthew T.; Johnson, Kevin R. D.; Hänninen, Mikko M; Hayes, Paul G.","Differences in the cyclometalation reactivity of bisphosphinimine-supported organo-rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10739","10750","10.1039/c4dt00863d","","","0.71073","MoKα","","0.0406","0.0285","","","0.0646","0.0686","","","","","","1.047","","","","has coordinates,has disorder","180015","2020-10-21","18:00:00",""
"7031044","23.9121","0.0004","32.291","0.0005","38.8831","0.0006","90","","90","","90","","30023.4","0.8","160","1","160","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C152 H168 Cu4 F24 N16 O8 P4 -","- C128 H120 Cu4 F24 N16 P4 -","- C1024 H960 Cu32 F192 N128 P32 -","8","1","","Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?","Dalton transactions (Cambridge, England : 2003)","2014","43","28","11027","11038","10.1039/c4dt01460j","","","0.71073","MoKα","","0.1236","0.0874","","","0.244","0.2635","","","","","","1.06","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7031081","13.3526","0.0008","9.5984","0.0006","26.3471","0.0015","90","","90","","90","","3376.7","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N2 O4 V -","- C17 H19 N2 O4 V -","- C136 H152 N16 O32 V8 -","8","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.0875","0.0555","","","0.1338","0.1565","","","","","","1.056","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031198","9.5735","0.0005","16.5118","0.0009","23.4372","0.0013","90","","90","","90","","3704.9","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Br N Se -","- C19 H22 Br N Se -","- C152 H176 Br8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.","Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9431","9437","10.1039/c4dt00157e","","","0.71073","MoKα","","0.052","0.0361","","","0.0764","0.0834","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031199","9.5672","0.0002","17.2716","0.0002","23.5022","0.0005","90","","90","","90","","3883.52","0.12","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 I N Se -","- C19 H22 I N Se -","- C152 H176 I8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.","Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9431","9437","10.1039/c4dt00157e","","","0.71073","MoKα","","0.037","0.0275","","","0.0558","0.0593","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031249","13.5063","0.0004","18.243","0.0005","30.9506","0.0015","90","","90","","90","","7626.1","0.5","291","2","291.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl2 Ir N2 O2 P -","- C42 H32 Cl2 Ir N2 O2 P -","- C336 H256 Cl16 Ir8 N16 O16 P8 -","8","1","","Zhang, Bin; Zhang, Lina; Liu, Chunmei; Zhu, Yanyan; Tang, Mingsheng; Du, Chenxia; Song, Maoping","A platinum(ii) complex bearing deprotonated 2-(diphenylphosphino)benzoic acid for superior phosphorescence of monomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7704","7707","10.1039/c4dt00417e","","","0.7107","MoKα","","0.0699","0.0451","","","0.101","0.1139","","","","","","1.042","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031253","10.277","0.005","14.718","0.005","25.634","0.005","90","0.005","90","0.005","90","0.005","3877","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H24 N6 O -","- C21 H26 N6 O -","- C168 H208 N48 O8 -","8","1","","Breedlove, B. K.; Kandel, R.; Ahsan, H. Md; Yamashita, M.","4-Pyridyl-substituted azacycloalkanes with multiple donor sites prepared via a solvent-free, one-pot method for use in electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7683","7686","10.1039/c4dt00240g","","","0.71073","MoKα","","0.0337","0.0264","","","0.0648","0.0694","","","","","","1.025","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031272","15.3154","0.0012","9.5003","0.0008","16.2703","0.0017","90","","90","","90","","2367.3","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Al2 O6 -","- C20 H30 Al2 O6 -","- C80 H120 Al8 O24 -","4","0.5","","Muñoz, M Teresa; Cuenca, Tomás; Mosquera, Marta E. G.","Heterometallic aluminates: alkali metals trapped by an aluminium aryloxide claw.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14377","14385","10.1039/c4dt00952e","","","0.71073","MoKα","","0.1009","0.0523","","","0.1421","0.1636","","","","","","1.036","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031282","20.7949","0.0004","11.5692","0.0002","40.0587","0.0009","90","","90","","90","","9637.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H74 Al2 F5 N Si -","- C44 H74.0002 Al2 F4.9998 N Si -","- C352 H592.002 Al16 F39.9984 N8 Si8 -","8","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","1.54178","CuKα","","0.0704","0.0647","","","0.1725","0.1768","","","","","","1.081","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031283","11.5215","0.0002","20.1495","0.0004","32.8729","0.0006","90","","90","","90","","7631.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H65 Ga2 N Si -","- C34 H65 Ga2 N Si -","- C272 H520 Ga16 N8 Si8 -","8","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","0.71073","MoKα","","0.0286","0.0236","","","0.0567","0.0586","","","","","","1.046","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031297","14.5752","0.0003","19.1704","0.0004","22.602","0.0005","90","","90","","90","","6315.3","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H27 Cl N2 Pd S -","- C36 H27 Cl N2 Pd S -","- C288 H216 Cl8 N16 Pd8 S8 -","8","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12251","12262","10.1039/c4dt01102c","","","0.71073","MoKα","","0.0703","0.0365","","","0.0916","0.1002","","","","","","0.866","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031360","11.4236","0.0006","20.7234","0.0011","29.0681","0.0016","90","","90","","90","","6881.5","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H44 Cl3 Ga N2 O -","- C31 H44 Cl3 Ga N2 O -","- C248 H352 Cl24 Ga8 N16 O8 -","8","1","","Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.","Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14211","14214","10.1039/c4dt00933a","","","0.71073","MoKα","","0.0826","0.047","","","0.1181","0.1391","","","","","","1.016","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031438","17.015","0.003","16.611","0.004","22.891","0.006","90","","90","","90","","6470","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Cl2 Cu N2 O -","- C34 H38 Cl2 Cu N2 O -","- C272 H304 Cl16 Cu8 N16 O8 -","8","1","","Fliedel, Christophe; Rosa, Vitor; Santos, Carla I. M.; Gonzalez, Pablo J.; Almeida, Rui M.; Gomes, Clara S. B.; Gomes, Pedro T.; Lemos, M Amélia N D A; Aullón, Gabriel; Welter, Richard; Avilés, Teresa","Copper(ii) complexes of bis(aryl-imino)acenaphthene ligands: synthesis, structure, DFT studies and evaluation in reverse ATRP of styrene.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13041","","10.1039/c4dt01069h","","","0.71073","MoKα","","0.135","0.0809","","","0.2144","0.239","","","","","","1.094","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031446","17.0027","0.0001","19.4001","0.0001","23.4149","0.0002","90","","90","","90","","7723.5","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl Ir N4 -","- C42 H54 Cl Ir N4 -","- C336 H432 Cl8 Ir8 N32 -","8","1","","Phillips, Nicholas; Tang, Christina Y.; Tirfoin, Rémi; Kelly, Michael J.; Thompson, Amber L.; Gutmann, Matthias J.; Aldridge, Simon","Modulating reactivity in iridium bis(N-heterocyclic carbene) complexes: influence of ring size on E-H bond activation chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12288","12298","10.1039/c4dt01398k","","","0.71073","MoKα","","0.0643","0.0311","","0.0768","0.0542","0.0768","","","","","","1.0092","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031516","5.536","0.006","14.102","0.014","22.62","0.02","90","","90","","90","","1766","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B Bi4 O10 P -","- B Bi4 O10 P -","- B8 Bi32 O80 P8 -","8","1","","Wang, Ying; Pan, Shilie; Huang, Shengshi; Dong, Lingyun; Zhang, Min; Han, Shujuan; Wang, Xian","Structural insights for the design of new borate-phosphates: synthesis, crystal structure and optical properties of Pb4O(BO3)(PO4) and Bi4O3(BO3)(PO4).","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12886","","10.1039/c4dt01199f","","","0.71073","MoKα","","0.0539","0.0365","","","0.0806","0.0884","","","","","","1.011","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031553","18.4679","0.0006","8.6405","0.0003","20.7717","0.0008","90","","90","","90","","3314.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H16 I4 N2 Pb -","- C5 H16 I4 N2 Pb -","- C40 H128 I32 N16 Pb8 -","8","1","","Yu, Tanlai; Zhang, Lin; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Hydrogen bonds and steric effects induced structural modulation of three layered iodoplumbate hybrids from nonperovskite to perovskite structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13115","","10.1039/c4dt01181c","","","0.71073","MoKα","","0.04","0.031","","","0.071","0.0752","","","","","","1.138","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031680","19.9345","0.0003","7.34785","0.00013","24.3982","0.0004","90","","90","","90","","3573.74","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 Pb S4 -","- C18 H12 N2 Pb S4 -","- C144 H96 N16 Pb8 S32 -","8","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.","Hemi- and holo-directed lead(II) complexes in a soft ligand environment.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","924","937","10.1039/c4dt01406e","","","0.7107","MoKα","","0.0228","0.0208","","","0.0437","0.0444","","","","","","1.187","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031782","29.3801","0.0018","12.5765","0.0008","33.827","0.002","90","","90","","90","","12499","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl N O P2 Ru -","- C36 H36 Cl N O P2 Ru -","- C576 H576 Cl16 N16 O16 P32 Ru16 -","16","2","","Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14625","14635","10.1039/c4dt01570c","","","0.71073","MoKα","","0.0788","0.0497","","","0.1025","0.115","","","","","","1.026","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031829","19.1919","0.0018","18.1864","0.0017","19.2584","0.0018","90","","90","","90","","6721.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B9 H25 K4 N O39 V6 -","- B9 K4 N O39 V6 -","- B72 K32 N8 O312 V48 -","8","1","","Hermosilla-Ibáñez, Patricio; Cañon-Mancisidor, Walter; Costamagna, Juan; Vega, Andrés; Paredes-García, Verónica; Garland, Maria Teresa; Le Fur, Eric; Cador, Olivier; Spodine, Evgenia; Venegas-Yazigi, Diego","Crystal lattice effect on the quenching of the intracluster magnetic interaction in [V12B18O60H6](10-) polyoxometalate.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","14132","14141","10.1039/c4dt01561d","","","0.71073","MoKα","","0.0701","0.0644","","","0.1835","0.19","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7031950","19.631","0.005","16.157","0.004","34.831","0.008","90","","90","","90","","11048","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichlorobis(ethane-1,2-diylbis(dimethylphosphine))aluminium tetrachloroaluminate","","- C12 H32 Al2 Cl6 P4 -","- C12 H32 Al2 Cl6 P4 -","- C192 H512 Al32 Cl96 P64 -","16","2","","Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian","Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14600","14611","10.1039/c4dt02051k","","","0.71073","MoKα","","0.0871","0.0503","","","0.0985","0.1148","","","","","","1.051","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7032127","13.9353","0.0014","8.9922","0.0009","20.379","0.002","90","","90","","90","","2553.7","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 Co N10 -","- C12 H6 Co N10 -","- C96 H48 Co8 N80 -","8","1","","Tsai, Jia-Dong; Yang, Chen-I","Utilization of a ligand containing 2,2'-bipyridyl and tetrazolate groups to construct a 2D Co(ii) coordination polymer: spin canting and metamagnetism.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15576","15582","10.1039/c4dt01793e","","","0.71073","MoKα","","0.072","0.0457","","","0.1178","0.1303","","","","","","1.076","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032138","13.2455","0.0007","10.3779","0.0009","18.5884","0.0011","90","","90","","90","","2555.2","0.3","100","2","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl2 N4 O2 Zn -","- C6 H16 Cl2 N4 O2 Zn -","- C48 H128 Cl16 N32 O16 Zn8 -","8","1","","Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu","Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15798","15811","10.1039/c4dt01812e","","","1.5418","CuKα","","0.0527","0.0391","","","0.0967","0.1095","","","","","","1.058","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032173","13.021","0.0001","15.257","0.0002","30.559","0.0003","90","","90","","90","","6070.89","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F9 Fe P4 -","- C29 H31 F9 Fe P4 -","- C232 H248 F72 Fe8 P32 -","8","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Tallis, Huw A.; Williams, Craig","Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3 and 9anePN2 macrocycles.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15532","15545","10.1039/c4dt02239d","","","0.71073","MoKα","","0.0641","0.0516","","","0.1095","0.114","","","","","","1.166","","","","has coordinates,has disorder","180027","2020-10-21","18:00:00",""
"7032180","10.607","0.002","15.644","0.003","17.786","0.004","90","","90","","90","","2951.3","1","298","","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Cu N6 O8 S2 -","- C26 H32 Cu N6 O8 S2 -","- C104 H128 Cu4 N24 O32 S8 -","4","0.5","","Mansour, Ahmed M.","Crystal structure, DFT, spectroscopic and biological activity evaluation of analgin complexes with Co(ii), Ni(ii) and Cu(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15950","15957","10.1039/c4dt02366h","","","0.7107","MoKα","","0.0904","0.0458","","","0.1079","0.1279","","","","","","1.029","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032264","7.4498","0.0003","23.188","0.0008","26.8342","0.0008","90","","90","","90","","4635.5","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Autrpy_NHClpym","","","- C19 H13 Au Cl3 N6 O8 -","- C19 H13 Au Cl3 N6 O8 -","- C152 H104 Au8 Cl24 N48 O64 -","8","1","","Iwashita, Satoshi; Saito, Yoshiaki; Ohtsu, Hideki; Tsuge, Kiyoshi","Synthesis, structures and stability of amido gold(iii) complexes with 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15719","15722","10.1039/c4dt02279c","","","1.54187","CuKα","","","0.0608","","","","0.1437","","","","","","0.834","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032576","13.8451","0.0001","15.7176","0.0001","31.7801","0.0003","90","","90","","90","","6915.72","0.09","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Zr -","- C20 H28 Zr -","- C320 H448 Zr16 -","16","2","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.0208","0.0182","","","0.0466","0.0473","","","","","","1.042","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032805","9.168","0.003","17.701","0.007","19.845","0.008","90","","90","","90","","3221","2","141","2","141","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 N6 O2 Zn -","- C40 H28 N6 O2 Zn -","- C160 H112 N24 O8 Zn4 -","4","0.5","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.0619","0.0363","","","0.1052","0.1215","","","","","","1.033","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032806","9.0309","0.0008","17.766","0.0015","20.1395","0.0018","90","","90","","90","","3231.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 Cd N6 O2 -","- C40 H28 Cd N6 O2 -","- C160 H112 Cd4 N24 O8 -","4","0.5","","Zhang, Liyan; Sun, Liying; Li, Xinyuan; Tian, Yulan; Yuan, Guozan","Five 8-hydroxyquinolinate-based coordination polymers with tunable structures and photoluminescent properties for sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","401","410","10.1039/c4dt02897j","","","0.71073","MoKα","","0.1045","0.0821","","","0.2069","0.2338","","","","","","1.073","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032827","13.4756","0.0013","19.984","0.002","32.753","0.004","90","","90","","90","","8820.3","1.6","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H55 F6 Mn N7 O8 S2 -","- C34.999 H55 F5.997 Mn N7 O7.997 S1.999 -","- C279.992 H440 F47.976 Mn8 N56 O63.976 S15.992 -","8","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.074","0.0404","","","0.077","0.0886","","","","","","1.01","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032895","12.857","0.005","21.354","0.005","23.497","0.005","90","0.005","90","0.005","90","0.005","6451","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H42 Cl5 N3 Pd -","- C29 H42 Cl5 N3 Pd -","- C232 H336 Cl40 N24 Pd8 -","8","1","","Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi","Cyclic six-membered palladium complexes derived from palladium mediated C-N coupling of organonitrile and formamidine.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","758","766","10.1039/c4dt02721c","","","0.71069","MoKα","","0.048","0.038","","","0.0971","0.1194","","","","","","1.169","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032979","14.7866","0.0007","17.6171","0.0008","30.571","0.0015","90","","90","","90","","7963.7","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H41 Ir N4 O2 P2 -","- C47 H41 Ir N4 O2 P2 -","- C376 H328 Ir8 N32 O16 P16 -","8","1","","Lin, Cheng-Huei; Liao, Jia-Ling; Wu, Yu-Sin; Liao, Kuan-Yu; Chi, Yun; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","A new insight into the chemistry of iridium(iii) complexes bearing phenyl phenylphosphonite cyclometalate and chelating pyridyl triazolate: the excited-state proton transfer tautomerism via an inter-ligand PO-HN hydrogen bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8406","8418","10.1039/c4dt02922d","","","0.71073","MoKα","","0.0371","0.0267","","","0.0627","0.0732","","","","","","1.119","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033006","20.441","0.005","11.399","0.005","27.842","0.005","90","","90","","90","","6487","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H50 Mg N4 -","- C32 H50 Mg N4 -","- C256 H400 Mg8 N32 -","8","1","","Anga, Srinivas; Bhattacharjee, Jayeeta; Harinath, Adimulam; Panda, Tarun K.","Synthesis, structure and reactivity study of magnesium amidinato complexes derived from carbodiimides and N,N'-bis(2,6-diisopropylphenyl)-1,4-diaza-butadiene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","955","965","10.1039/c4dt03074e","","","0.71069","MoKα","","0.2029","0.0939","","","0.2485","0.2439","","","","","","1.059","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033038","14.0877","0.0016","13.1032","0.0014","19.028","0.002","90","","90","","90","","3512.5","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn2(adc)2(bpma)2(H2O)2]","","","- C34 H34 Mn2 N6 O10 -","- C34 H34 Mn2 N6 O10 -","- C136 H136 Mn8 N24 O40 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Ancillary ligand assisted self-assembly of coordination architectures of Mn(II): the effect of the N-alkyl group on a tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1203","1210","10.1039/c4dt03005b","","","0.71073","MoKα","","0.0448","0.0363","","","0.0989","0.1137","","","","","","0.982","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033053","9.9254","0.0004","15.5842","0.0005","24.9184","0.001","90","","90","","90","","3854.4","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H21 B F2 N2 O -","- C23 H21 B F2 N2 O -","- C184 H168 B8 F16 N16 O8 -","8","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.0676","0.0465","","","0.1338","0.1583","","","","","","1.089","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033054","9.6279","0.0019","18.412","0.003","24.12","0.005","90","","90","","90","","4275.7","1.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H25 B F2 N2 O -","- C25 H25 B F2 N2 O -","- C200 H200 B8 F16 N16 O8 -","8","1","","Meesala, Yedukondalu; Kavala, Veerababurao; Chang, Hao-Ching; Kuo, Ting-Shen; Yao, Ching-Fa; Lee, Way-Zen","Synthesis, structures and electrochemical and photophysical properties of anilido-benzoxazole boron difluoride (ABB) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1120","1129","10.1039/c4dt03052d","","","0.71073","MoKα","","0.1535","0.0603","","","0.1224","0.1621","","","","","","0.92","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033082","13.1857","0.0006","13.2861","0.0005","17.3296","0.0007","90","","90","","90","","3035.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H Al B5 N3 O10 -","- C5 Al B5 N3 O10 -","- C40 Al8 B40 N24 O80 -","8","1","","Wei, Li; Wang, Guo-Ming; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Series of open-framework aluminoborates containing [B5O10] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1420","1426","10.1039/c4dt02632b","","","0.71073","MoKα","","0.0772","0.0672","","","0.1799","0.1872","","","","","","0.941","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033092","12.419","0.0004","13.6062","0.0006","20.6569","0.0006","90","","90","","90","","3490.5","0.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N5 O Se3 Sn Y -","- C8 H24 N5 O Se3 Sn Y -","- C64 H192 N40 O8 Se24 Sn8 Y8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0677","0.057","","","0.1457","0.1524","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033093","12.45","0.002","13.617","0.002","21.005","0.004","90","","90","","90","","3561","1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N5 O Pr Se3 Sn -","- C8 H24 N5 O Pr Se3 Sn -","- C64 H192 N40 O8 Pr8 Se24 Sn8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0615","0.05","","","0.1595","0.1741","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033094","12.4132","0.0003","13.5901","0.0004","20.6722","0.0006","90","","90","","90","","3487.33","0.17","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Dy N5 O Se3 Sn -","- C8 H24 Dy N5 O Se3 Sn -","- C64 H192 Dy8 N40 O8 Se24 Sn8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0658","0.057","","","0.1444","0.1506","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033095","12.4182","0.001","13.6053","0.0011","20.6357","0.0017","90","","90","","90","","3486.5","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Er N5 O Se3 Sn -","- C8 H24 Er N5 O Se3 Sn -","- C64 H192 Er8 N40 O8 Se24 Sn8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0858","0.0702","","","0.1938","0.2337","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033096","12.399","0.003","13.518","0.004","20.504","0.006","90","","90","","90","","3436.7","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N5 O Se3 Sn Tm -","- C8 H24 N5 O Se3 Sn Tm -","- C64 H192 N40 O8 Se24 Sn8 Tm8 -","8","1","","Zhou, Jian; Xiao, Hong; Xiao, Hong-Ping; Yang, Tao; Zou, Hua-Hong; Liu, Xing; Zhao, Rong-Qing; Tang, Qiuling","Two types of lanthanide selenidostannates(IV) first prepared under the same solvothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1350","1357","10.1039/c4dt03099k","","","0.71073","MoKα","","0.0661","0.0626","","","0.1559","0.1581","","","","","","1.144","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033133","18.6169","0.0003","13.9789","0.0002","32.2083","0.0007","90","","90","","90","","8382","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H80 Cd3 Cl6 N20 O14 -","- C76 H80 Cd3 Cl6 N20 O14 -","- C304 H320 Cd12 Cl24 N80 O56 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Rai, Dhirendra K.; Dota, Krithika; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Mathur, Deepak; Mathur, Pradeep","Varying coordination modes of amide ligand in group 12 Hg(II) and Cd(II) complexes: synthesis, crystal structure and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1933","1941","10.1039/c4dt02111h","","","1.5418","CuKα","","0.0704","0.0692","","","0.1924","0.1939","","","","","","1.053","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033163","15.8412","0.0007","18.6259","0.0007","23.2271","0.0012","90","","90","","90","","6853.3","0.5","150","2","150","2","","","","","","","THF","6","P b c a","-P 2ac 2ab","61","[InBr3(7Dipp)].THF","","","- C33 H50 Br3 In N2 O -","- C33 H50 Br3 In N2 O -","- C264 H400 Br24 In8 N16 O8 -","8","1","","Leverett, Anthony R.; McKay, Alasdair I.; Cole, Marcus L.","The stabilization of gallane and indane by a ring expanded carbene.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","498","500","10.1039/c4dt03489a","","x-ray","0.71073","MoKα","","0.0642","0.0309","","","0.0463","0.0526","","","","","","1.004","","","","has coordinates","180037","2020-10-21","18:00:00",""
"7033244","25.516","0.0018","8.8783","0.0006","38.627","0.003","90","","90","","90","","8750.5","1.1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H55 Cl N4 O2 Ru S -","- C40 H55 Cl N4 O2 Ru S -","- C320 H440 Cl8 N32 O16 Ru8 S8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1724","1733","10.1039/c4dt03137g","","","0.71073","MoKα","","0.1231","0.0655","","","0.124","0.1399","","","","","","1.082","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033254","22.458","0.004","14.207","0.002","23.79","0.004","90","","90","","90","","7590","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H54 N6 O Zr -","- C38 H54 N6 O Zr -","- C304 H432 N48 O8 Zr8 -","8","1","","Alves, Luis G.; Madeira, Filipe; Munhá, Rui F; Barroso, Sónia; Veiros, Luis F.; Martins, Ana M.","Reactions of heteroallenes with cyclam-based Zr(IV) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1441","1455","10.1039/c4dt02851a","","","0.71073","MoKα","","0.1988","0.1042","","","0.1912","0.2266","","","","","","1.129","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033282","10.929","0.003","9.981","0.004","27.219","0.007","90","","90","","90","","2969.1","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N2 S2 Tl -","- C14 H13 N2 S2 Tl -","- C112 H104 N16 S16 Tl8 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.1387","0.0809","","","0.1891","0.2278","","","","","","0.951","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033283","10.8429","0.0014","9.9762","0.0017","27.222","0.003","90","","90","","90","","2944.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N3 S2 Tl -","- C13 H12 N3 S2 Tl -","- C104 H96 N24 S16 Tl8 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.116","0.0724","","","0.1697","0.1902","","","","","","1.079","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033286","8.4558","0.0006","27.6843","0.0013","28.3435","0.0016","90","","90","","90","","6635","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","C1; CuCltpypo","Chloro tris(2-pyridyl)phosphineoxide copper(I)","","- C16 H13.5 Cl Cu N3.5 O P -","- C16 H13.5 Cl Cu N3.5 O P -","- C256 H216 Cl16 Cu16 N56 O16 P16 -","16","2","","Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg","A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8506","8520","10.1039/c4dt02631d","","","0.71069","MoKα","","0.0911","0.0658","","","0.1534","0.1677","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033302","10.1342","0.0002","17.1147","0.0003","21.5781","0.0004","90","","90","","90","","3742.59","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Cl N3 Ni O5 -","- C16 H21 Cl N3 Ni O5 -","- C128 H168 Cl8 N24 Ni8 O40 -","8","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","1.5418","CuKα","","0.0546","0.0469","","","0.14","0.149","","","","","","1.063","","","","has coordinates,has disorder","180039","2020-10-21","18:00:00",""
"7033364","10.719","0.004","12.484","0.005","19.494","0.008","90","","90","","90","","2608.6","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C-3","Pt-ONN","","- C12 H17 Cl N2 O Pt -","- C12 H17 Cl N2 O Pt -","- C96 H136 Cl8 N16 O8 Pt8 -","8","1","","Rahman, Faiz-Ur; Ali, Amjad; Guo, Rong; Zhang, Yun-Chang; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Synthesis and anticancer activities of a novel class of mono- and di-metallic Pt(ii)(salicylaldiminato)(DMSO or Picolino)Cl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2166","2175","10.1039/c4dt03018d","","","0.71073","MoKα","","0.0948","0.0807","","","0.239","0.2653","","","","","","1.066","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033376","16.1759","0.0009","9.0017","0.0005","17.1889","0.0009","90","","90","","90","","2502.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Au Cl N2 -","- C12 H12 Au Cl N2 -","- C96 H96 Au8 Cl8 N16 -","8","1","","Garner, Mary E.; Niu, Weijia; Chen, Xigao; Ghiviriga, Ion; Abboud, Khalil A.; Tan, Weihong; Veige, Adam S.","N-heterocyclic carbene gold(I) and silver(I) complexes bearing functional groups for bio-conjugation.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1914","1923","10.1039/c4dt02850c","","","0.71073","MoKα","","0.0391","0.0274","","","0.0628","0.0719","","","","","","1.091","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033402","8.4577","0.0005","11.9926","0.0007","21.3438","0.0013","90","","90","","90","","2164.9","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 O S -","- C13 H10 N2 O S -","- C104 H80 N16 O8 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Anwar, Muhammad U.; Pilkington, Melanie; Rawson, Jeremy M.","Copper-promoted aerial oxidation of benzothiadiazines: access to benzothiadiazine S-oxide heterocycles.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2071","2074","10.1039/c4dt03467h","","","0.71073","MoKα","","0.0469","0.0438","","","0.1101","0.1118","","","","","","1.195","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033437","19.6504","0.0002","19.5146","0.0003","20.7347","0.0003","90","","90","","90","","7951.13","0.19","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H16 F4 Mn4 O12 S4 -","- C36 H16 F4 Mn4 O12 S4 -","- C288 H128 F32 Mn32 O96 S32 -","8","1","","Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias","Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3020","3033","10.1039/c4dt03567d","","","0.71073","MoKα","","0.0566","0.0395","","","0.0756","0.0826","","","","","","1.128","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033536","17.5564","0.001","10.6174","0.0006","25.2308","0.0014","90","","90","","90","","4703.1","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Dy N5 O8 -","- C20 H24 Dy N5 O8 -","- C160 H192 Dy8 N40 O64 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0347","0.0252","","","0.0615","0.0665","","","","","","1.027","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033537","17.4707","0.0014","10.7118","0.0009","25.398","0.002","90","","90","","90","","4753","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Er N5 O8 -","- C20 H24 Er N5 O8 -","- C160 H192 Er8 N40 O64 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0425","0.0347","","","0.0718","0.076","","","","","","1.117","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033538","17.497","0.002","10.6651","0.0012","25.333","0.003","90","","90","","90","","4727.3","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Ho N5 O8 -","- C20 H24 Ho N5 O8 -","- C160 H192 Ho8 N40 O64 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0539","0.031","","","0.0612","0.069","","","","","","1.029","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033539","17.5789","0.0015","10.6997","0.0009","25.33","0.002","90","","90","","90","","4764.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N5 O8 Tb -","- C20 H24 N5 O8 Tb -","- C160 H192 N40 O64 Tb8 -","8","1","","Feng, Hung-Kai; Huang, Po-Jung; Tsai, Hui-Lien","One-dimensional lanthanide coordination polymers: synthesis, structures, and single-ion magnetic behaviour.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3764","3772","10.1039/c4dt03458a","","","0.71073","MoKα","","0.0525","0.0295","","","0.064","0.0731","","","","","","1.029","","","","has coordinates","180041","2020-10-21","18:00:00",""
"7033620","21.808","0.003","20.261","0.003","22.172","0.003","90","","90","","90","","9797","2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","14131b","[Et4N][W(CO)3(PhBP3)]","","- C56 H61 B N O3 P3 W -","- C56 H61 B N O3 P3 W -","- C448 H488 B8 N8 O24 P24 W8 -","8","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0475","0.0305","","","0.0665","0.0738","","","","","","1.034","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033621","21.795","0.002","20.281","0.002","22.166","0.002","90","","90","","90","","9797.9","1.6","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","14132a","[Et4N][Mo(CO)3(PhBP3)]","","- C56 H61 B Mo N O3 P3 -","- C56 H61 B Mo N O3 P3 -","- C448 H488 B8 Mo8 N8 O24 P24 -","8","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0481","0.0326","","","0.0711","0.079","","","","","","1.031","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033624","21.68","0.002","20.2863","0.0019","21.999","0.002","90","","90","","90","","9675.3","1.5","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","14158a","[Et4N][Cr(CO)3(PhBP3)]","","- C56 H61 B Cr N O3 P3 -","- C56 H61 B Cr N O3 P3 -","- C448 H488 B8 Cr8 N8 O24 P24 -","8","1","","Fischer, Paul J.; Weberg, Alexander B.; Bohrmann, Trent D.; Xu, Hanyue; Young, Victor G.","Group VI metal complexes of tris(diphenylphosphinomethyl)phenylborate: modulation of ligand donation via coordination of M(CO)3 units at the borate phenyl substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3737","3744","10.1039/c4dt03857f","","","0.71073","MoKα","","0.0862","0.0475","","","0.0943","0.1117","","","","","","1.017","","","","has coordinates","180042","2020-10-21","18:00:00",""
"7033746","20.944","0.003","24.898","0.003","38.318","0.005","90","","90","","90","","19981","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C89 H120 F24 N10 O9 S2 -","- C88.998 H119.994 F24 N10 O8.999 S1.999 -","- C711.984 H959.952 F192 N80 O71.992 S15.992 -","8","1","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.6889","synchrotron","","0.1054","0.0727","","","0.1646","0.1835","","","","","","1.079","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033797","18.399","0.0007","19.495","0.0008","27.347","0.001","90","","90","","90","","9809.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H74 Cu2 N4 Si8 -","- C32 H74 Cu2 N4 Si8 -","- C256 H592 Cu16 N32 Si64 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.0868","0.0592","","","0.094","0.1034","","","","","","1.188","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033801","19.6672","0.0008","18.8226","0.0006","23.8417","0.0009","90","","90","","90","","8825.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H62 Cu2 N2 Si8 -","- C28 H62 Cu2 N2 Si8 -","- C224 H496 Cu16 N16 Si64 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.045","0.0346","","","0.0902","0.0978","","","","","","1.021","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033802","19.7039","0.0009","18.9384","0.0009","24.2994","0.001","90","","90","","90","","9067.6","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H62 Ag2 N2 Si8 -","- C28 H62 Ag2 N2 Si8 -","- C224 H496 Ag16 N16 Si64 -","8","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","1.54178","CuKα","","0.0335","0.0278","","","0.0716","0.0757","","","","","","1.038","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033902","26.081","0.006","18.29","0.004","9.713","0.002","90","","90","","90","","4633.3","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Co N4 O5 P -","- C19 H29 Co N4 O5 P -","- C152 H232 Co8 N32 O40 P8 -","8","1","","Gupta, Sandeep K.; Kuppuswamy, Subramaniam; Walsh, James P. S.; McInnes, Eric J. L.; Murugavel, Ramaswamy","Discrete and polymeric cobalt organophosphates: isolation of a 3-D cobalt phosphate framework exhibiting selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5587","5601","10.1039/c4dt03379e","","","0.71075","MoKα","","0.0657","0.062","","","0.1406","0.1428","","","","","","1.164","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033915","10.9927","0.0003","16.333","0.0005","31.7659","0.001","90","","90","","90","","5703.4","0.3","173.2","","173.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1.PF6","","- C31 H25 F6 Ir N5 P -","- C31 H25 F6 Ir N5 P -","- C248 H200 F48 Ir8 N40 P8 -","8","1","","Barbante, Gregory J.; Doeven, Egan H.; Francis, Paul S.; Stringer, Bradley D.; Hogan, Conor F.; Kheradmand, Peyman R.; Wilson, David J. D.; Barnard, Peter J.","Iridium(iii) N-heterocyclic carbene complexes: an experimental and theoretical study of structural, spectroscopic, electrochemical and electrogenerated chemiluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8564","8576","10.1039/c4dt03378g","","","0.71073","MoKα","","0.0673","0.0375","","","0.0618","0.0715","","","","","","1.043","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033919","19.1512","0.0008","19.707","0.0008","20.3343","0.0008","90","","90","","90","","7674.4","0.5","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H51 Ga N2 Te2 -","- C41 H51 Ga N2 Te2 -","- C328 H408 Ga8 N16 Te16 -","8","1","","Ganesamoorthy, Chelladurai; Bendt, Georg; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Te-Te and Te-C bond cleavage reactions using a monovalent gallanediyl.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5153","5159","10.1039/c5dt00172b","","","0.71073","MoKα","","0.087","0.0469","","","0.0941","0.1249","","","","","","1.127","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034023","16.0866","0.0009","12.8688","0.0007","20.3039","0.0016","90","","90","","90","","4203.2","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ag2 N6 O8 -","- C15 H24 Ag2 N6 O8 -","- C120 H192 Ag16 N48 O64 -","8","1","","Huang, Jing; Deng, Zhao-Peng; Xiao, Ying-Hui; Huo, Li-Hua; Zhao, Shu-Nan; Ge, Fa-Yuan; Gao, Shan","Macrocyclic dinuclear, helical, layered and 3-D Ag(i) complexes constructed from AgX (X = NO3(-) and ClO4(-)) and flexible bis(pyridyl) ligands with a chelating spacer: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5837","5847","10.1039/c5dt00265f","","","0.71073","MoKα","","0.0583","0.04","","","0.0889","0.0982","","","","","","1.063","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034075","9.934","0.003","12.29","0.004","21.001","0.007","90","","90","","90","","2564","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 B2 F5 N2 -","- C12 H9 B2 F5 N2 -","- C96 H72 B16 F40 N16 -","8","1","","Bacon, Catherine E.; Mansour, Liz; Hayward, John J.; Rawson, Jeremy M.","Intramolecular N-coordination in ketiminoboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5284","5287","10.1039/c5dt00196j","","","0.71073","MoKα","","0.0566","0.0482","","","0.1307","0.1389","","","","","","1.061","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034078","15.4328","0.0003","18.1148","0.0003","18.7053","0.0003","90","","90","","90","","5229.29","0.16","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H49 N4 Na Zn -","- C21 H49 N4 Na Zn -","- C168 H392 N32 Na8 Zn8 -","8","1","","Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5875","5887","10.1039/c5dt00247h","","","1.5418","CuKα","","0.0355","0.0348","","","0.0953","0.0959","","","","","","1.093","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034112","16.489","0.003","18.36","0.004","19.101","0.004","90","","90","","90","","5783","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25.5 H33 Cl O4 Re Ru2 S2 -","- C25.5 H33 Cl O4 Re Ru2 S2 -","- C204 H264 Cl8 O32 Re8 Ru16 S16 -","8","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","In search for new bonding modes of the methylenedithiolato ligand: novel tri- and tetra-metallic clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11306","11313","10.1039/c5dt00179j","","","0.71073","MoKα","","0.0867","0.0498","","","0.1031","0.1242","","","","","","1.106","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7034134","15.4609","0.0017","15.0599","0.0015","16.7057","0.0015","90","","90","","90","","3889.7","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 Ho N O9 S2 -","- C12 H12 F4 Ho N O9 S2 -","- C96 H96 F32 Ho8 N8 O72 S16 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.1217","0.0469","","","0.0606","0.0749","","","","","","0.903","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034135","15.4177","0.0013","15.0482","0.0009","16.6749","0.0011","90","","90","","90","","3868.7","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Er F4 N O9 S2 -","- C12 H12 Er F4 N O9 S2 -","- C96 H96 Er8 F32 N8 O72 S16 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.044","0.0351","","","0.0889","0.1013","","","","","","1.105","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034136","15.3508","0.0004","14.9676","0.0004","16.5758","0.0006","90","","90","","90","","3808.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 N O9 S2 Tm -","- C12 H12 F4 N O9 S2 Tm -","- C96 H96 F32 N8 O72 S16 Tm8 -","8","1","","Sobieray, Miriam; Gode, Jens; Seidel, Christiane; Poß, Marieke; Feldmann, Claus; Ruschewitz, Uwe","Bright luminescence in lanthanide coordination polymers with tetrafluoroterephthalate as a bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6249","6259","10.1039/c4dt03733b","","","0.71073","MoKα","","0.0409","0.028","","","0.064","0.0686","","","","","","1.026","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7034297","7.72046","0.00006","15.77008","0.00011","20.25661","0.00015","90","","90","","90","","2466.29","0.03","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl4 N2 O2 Zn2 -","- C24 H22 Cl4 N2 O2 Zn2 -","- C96 H88 Cl16 N8 O8 Zn8 -","4","0.5","","Bakewell, Clare; Fateh-Iravani, Giovanna; Beh, Daniel W.; Myers, Dominic; Tabthong, Sittichoke; Hormnirun, Pimpa; White, Andrew J. P.; Long, Nicholas; Williams, Charlotte K.","Comparing a series of 8-quinolinolato complexes of aluminium, titanium and zinc as initiators for the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12326","12337","10.1039/c5dt00192g","","","1.54184","CuKα","","0.031","0.0273","","","0.0764","0.0787","","","","","","1.085","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034345","12.118","0.003","10.844","0.003","40.25","0.01","90","","90","","90","","5289","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H33 N3 Pd -","- C31 H33 N3 Pd -","- C248 H264 N24 Pd8 -","8","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.0569","0.0431","","","0.0906","0.0955","","","","","","1.122","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034347","12.906","0.01","8.308","0.006","39.43","0.03","90","","90","","90","","4228","6","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N3 -","- C25 H29 N3 -","- C200 H232 N24 -","8","1","","Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip","Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7230","7241","10.1039/c5dt00216h","","","0.71073","MoKα","","0.1397","0.0628","","","0.1155","0.1377","","","","","","0.871","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034348","13.8489","0.0004","17.5351","0.0006","19.0192","0.0007","90","","90","","90","","4618.7","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H90 Li2 Mg2 N4 -","- C38 H90 Li2 Mg2 N4 -","- C152 H360 Li8 Mg8 N16 -","4","0.5","","Zaragoza-Calero, Silvia; Francos, Javier; Kennedy, Alan R.; O'Hara, Charles T","Solid state and solution studies of lithium tris(n-butyl)magnesiates stabilised by Lewis donors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7258","7267","10.1039/c5dt00435g","","","1.5418","CuKα","","0.0709","0.0501","","","0.1387","0.1596","","","","","","1.023","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034404","28.108","0.011","20.092","0.008","33.297","0.014","90","","90","","90","","18804","13","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C92 H82 Cl8 F12 Fe2 N6 O0 Os P6 -","- C92 H82 Cl8 F12 Fe2 N6 Os P6 -","- C736 H656 Cl64 F96 Fe16 N48 Os8 P48 -","8","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.1418","0.1132","","","0.205","0.2239","","","","","","1.064","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034409","28.122","0.007","19.966","0.005","33.171","0.008","90","","90","","90","","18625","8","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C92 H82 Cl8 F12 Fe3 N6 O0 P6 -","- C92 H82 Cl8 F12 Fe3 N6 P6 -","- C736 H656 Cl64 F96 Fe24 N48 P48 -","8","1","","Wang, Yong; Lin, Chensheng; Ma, Xiao; Xue, Zhenzhen; Zhu, Xiaoquan; Cao, Wenhai; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Influence of the central diamagnetic cyanidometal on the distant magnetic interaction in cyanide-bridged Fe(iii)-M(ii)-Fe(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7437","7448","10.1039/c5dt00383k","","","0.71073","MoKα","","0.0921","0.0782","","","0.2015","0.2177","","","","","","1.08","","","","has coordinates,has disorder","180050","2020-10-21","18:00:00",""
"7034440","9.6421","0.0003","19.6933","0.0005","19.7231","0.0005","90","","90","","90","","3745.12","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br Cu N2 -","- C20 H24 Br Cu N2 -","- C160 H192 Br8 Cu8 N16 -","8","1","","Nitsch, Jörn; Kleeberg, Christian; Fröhlich, Roland; Steffen, Andreas","Luminescent copper(i) halide and pseudohalide phenanthroline complexes revisited: simple structures, complicated excited state behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6944","6960","10.1039/c4dt03706e","","","0.71073","MoKα","","0.0459","0.0309","","","0.0606","0.0652","","","","","","1.031","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034558","13.404","0.003","15.715","0.003","19.102","0.004","90","","90","","90","","4023.7","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl2 N4 O0 Zn -","- C20 H18 Cl2 N4 Zn -","- C160 H144 Cl16 N32 Zn8 -","8","1","","Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin","Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8107","8125","10.1039/c5dt00057b","","","0.71073","MoKα","","0.1074","0.0662","","","0.1811","0.2155","","","","","","0.846","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034618","9.4402","0.0019","10.611","0.002","17.296","0.004","90","","90","","90","","1732.5","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HDNT1","","","- C5 H7 N5 O4 -","- C5 H7 N5 O4 -","- C40 H56 N40 O32 -","8","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.0691","0.0435","","","0.0943","0.1074","","","","","","1.024","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034620","9.472","0.002","11.272","0.002","23.86","0.005","90","","90","","90","","2547.5","0.9","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H9 N9 O6 -","- C7 H9 N9 O6 -","- C56 H72 N72 O48 -","8","1","","Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.","Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7586","7594","10.1039/c5dt00888c","","","0.71073","MoKα","","0.0725","0.0564","","","0.1607","0.1752","","","","","","1.052","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034623","18.061","0.002","26.186","0.007","9.735","0.003","90","","90","","90","","4604.1","1.9","190","2","190","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H43 Mg3 N7 O16 -","- C35.97 H42.966 Mg3 N6.994 O15.998 -","- C143.88 H171.864 Mg12 N27.976 O63.992 -","4","0.5","","Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua","Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8190","8197","10.1039/c4dt03927k","","x-ray","1.54184","CuKα","","0.2079","0.1498","","","0.3442","0.383","","","","","","1.056","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034624","18.1534","0.0012","25.494","0.002","9.7663","0.0008","90","","90","","90","","4519.9","0.6","190","2","190","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H43 Co3 N7 O16 -","- C35.88 H42.9 Co3 N6.98 O16 -","- C143.52 H171.6 Co12 N27.92 O64 -","4","0.5","","Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua","Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8190","8197","10.1039/c4dt03927k","","x-ray","1.54184","CuKα","","0.1372","0.098","","","0.2352","0.2626","","","","","","1.118","","","","has coordinates,has disorder","180052","2020-10-21","18:00:00",""
"7034692","11.0896","0.0002","14.4508","0.0002","18.4542","0.0003","90","","90","","90","","2957.35","0.08","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N2 O4 Re -","- C13 H17 N2 O4 Re -","- C104 H136 N16 O32 Re8 -","8","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0282","0.0187","","","0.0366","0.0395","","","","","","1.008","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034701","25.5938","0.0006","19.9423","0.0004","32.2211","0.0006","90","","90","","90","","16445.6","0.6","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H75 Cl4 Cu8 N8 O16 -","- C56 H75 Cl4 Cu8 N8 O16 -","- C448 H600 Cl32 Cu64 N64 O128 -","8","1","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","0.71073","MoKα","","0.1003","0.0765","","","0.1738","0.191","","","","","","1.086","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034704","25.299","0.0005","20.7375","0.0004","32.5445","0.0008","90","","90","","90","","17074.1","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67 H120 Cu8 N20 O27 -","- C56 H76 Cu8 N20 O16 -","- C448 H608 Cu64 N160 O128 -","8","1","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","1.54184","CuKα","","0.1251","0.0956","","","0.2426","0.2636","","","","","","1.07","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034739","13.966","0.004","13.887","0.004","23.249","0.006","90","","90","","90","","4509","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl2 Cu N3 O4 -","- C23 H21 Cl2 Cu N3 O4 -","- C184 H168 Cl16 Cu8 N24 O32 -","8","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0407","0.0375","","","0.0982","0.1007","","","","","","1.108","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034750","17.875","0.007","26.862","0.01","26.933","0.011","90","","90","","90","","12932","9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C124 H120 Br3 Cl19 P8 Pd4 S4 -","- C124 H120 Br3 Cl19 P8 Pd4 S4 -","- C496 H480 Br12 Cl76 P32 Pd16 S16 -","4","0.5","","Azizpoor Fard, Mahmood; Willans, Mathew J.; Khalili Najafabadi, Bahareh; Levchenko, Tetyana I.; Corrigan, John F.","Polydentate chalcogen reagents for the facile preparation of Pd2 and Pd4 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8267","8277","10.1039/c5dt00197h","","","0.71073","MoKα","","0.0952","0.067","","","0.1846","0.2191","","","","","","1.119","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034817","19.767","0.005","15.478","0.01","34.001","0.009","90","","90","","90","","10403","8","198","2","198","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9.66667 H9 Br2 Cl4 N4.33333 Pd -","- C9.66667 H9 Br2 Cl4 N4.33333 Pd -","- C232 H216 Br48 Cl96 N104 Pd24 -","24","3","","Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas","Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9391","9399","10.1039/c5dt01067e","","","0.71073","MoKα","","0.0849","0.0423","","","0.1044","0.1297","","","","","","1.077","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7034842","18.2273","0.0007","8.9569","0.0004","20.7698","0.0008","90","","90","","90","","3390.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","C6 H17 N3 Pb I4","","","- C6 H17 I4 N3 Pb -","- C6 H17 I4 N3 Pb -","- C48 H136 I32 N24 Pb8 -","8","1","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0673","0.0529","","","0.1346","0.1501","","","","","","1.003","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034843","18.143","0.0006","15.788","0.0005","19.2737","0.0008","90","","90","","90","","5520.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I6 N2 Pb2 -","- C14 H18 I6 N2 Pb2 -","- C112 H144 I48 N16 Pb16 -","8","1","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0633","0.0389","","","0.0773","0.0895","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7034845","12.941","0.004","6.9454","0.0018","26.594","0.007","90","","90","","90","","2390.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 N7 O3 Pb -","- C10 H7 N7 O3 Pb -","- C80 H56 N56 O24 Pb8 -","8","1","","Chen, Jun; Zhang, Qing; Liu, Zhi-Fa; Wang, Shuai-Hua; Xiao, Yu; Li, Rong; Xu, Jian-Gang; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Color tunable and near white-light emission of two solvent-induced 2D lead(ii) coordination networks based on a rigid ligand 1-tetrazole-4-imidazole-benzene.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","10089","10096","10.1039/c5dt00929d","","","0.71073","MoKα","","0.0382","0.0272","","","0.0788","0.1134","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034882","16.2527","0.0005","12.6551","0.0004","35.9245","0.0012","90","","90","","90","","7388.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H64 O2 P4 Rh2 -","- C30 H64 O2 P4 Rh2 -","- C240 H512 O16 P32 Rh16 -","8","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0859","0.0486","","","0.0783","0.0861","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035016","22.618","0.005","27.352","0.005","30.83","0.005","90","","90","","90","","19073","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80.98 H62.08 Mn6 N11.15 O46.17 -","- C81.065 H62.105 Mn6 N11.21 O46.145 -","- C648.52 H496.84 Mn48 N89.68 O369.16 -","8","1","","Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh","Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9795","9804","10.1039/c5dt00709g","","","0.71073","MoKα","","0.1096","0.0574","","","0.1282","0.1555","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035050","14.9889","0.0002","17.3185","0.0003","28.4713","0.0004","90","","90","","90","","7390.73","0.19","123","2","123","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C34 H53 Cl2 N O3 S2 W -","- C34 H53 Cl2 N O3 S2 W -","- C272 H424 Cl16 N8 O24 S16 W8 -","8","1","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","0.71073","MoKα","","0.0405","0.0273","","","0.0489","0.0527","","","","","","1.056","","","","has coordinates","138675","2020-10-21","18:00:00",""
"7035158","14.86","0.003","23.493","0.004","26.472","0.005","90","","90","","90","","9242","3","175","2","175","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H61 F3 Fe N8 O5 S -","- C42 H61 F3 Fe N8 O5 S -","- C336 H488 F24 Fe8 N64 O40 S8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0624","0.0445","","","0.1201","0.134","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035161","15.0279","0.0013","23.222","0.002","26.969","0.002","90","","90","","90","","9411.6","1.3","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H60 F3 Mn N8 O5 S -","- C38 H51 F3 Mn N7.972 O4 S -","- C304 H408 F24 Mn8 N63.776 O32 S8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","1.54178","CuKα","","0.0972","0.069","","","0.1634","0.1785","","","","","","1.078","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035162","15.225","0.002","23.068","0.003","26.462","0.004","90","","90","","90","","9294","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H69 F3 Fe N12 O5 S -","- C37 H51 F3 Fe N10 O3 S -","- C296 H408 F24 Fe8 N80 O24 S8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0741","0.0479","","","0.122","0.1334","","","","","","1.074","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035164","15.3462","0.0004","23.0779","0.0005","26.5156","0.0007","90","","90","","90","","9390.7","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H51 Co F3 N8 O3 S2 -","- C38 H51 Co F3 N8 O3 S2 -","- C304 H408 Co8 F24 N64 O24 S16 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0563","0.0402","","","0.1063","0.113","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035212","11.289","0.0002","49.9471","0.0009","16.5855","0.0003","90","","90","","90","","9351.8","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","iPrGe5","","- C40 H70 Ge5 -","- C40 H70 Ge5 -","- C320 H560 Ge40 -","8","1","","Tanimoto, Hiroki; Nagao, Tomohiko; Fujiwara, Taro; Nishiyama, Yasuhiro; Morimoto, Tsumoru; Suzuka, Toshimasa; Tsutsumi, Ken; Kakiuchi, Kiyomi","Stepwise synthesis and characterization of germa[4], [5], [8], and [10]pericyclynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11811","11818","10.1039/c5dt01411e","","","0.71075","MoKα","","0.0734","0.0639","","","0.0942","0.0971","","","","","","1.128","","","","has coordinates","143486","2020-10-21","18:00:00",""
"7035266","9.904","0.003","14.416","0.004","34.669","0.008","90","","90","","90","","4950","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Cu I N2 O P -","- C27 H25 Cu I N2 O P -","- C216 H200 Cu8 I8 N16 O8 P8 -","8","1","","Komarnicka, Urszula K.; Starosta, Radosław; Kyzioł, Agnieszka; Jeżowska-Bojczuk, Małgorzata","Copper(i) complexes with phosphine derived from sparfloxacin. Part I - structures, spectroscopic properties and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12688","12699","10.1039/c5dt01146a","","","0.71073","MoKα","","0.0418","0.0364","","","0.0952","0.0977","","","","","","1.056","","","","has coordinates","143690","2020-10-21","18:00:00",""
"7035415","12.9563","0.0002","13.6686","0.0002","41.1833","0.0005","90","","90","","90","","7293.34","0.18","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 As F8 Ga2 N4 O5 -","- C8 H24 As F8 Ga2 N4 O5 -","- C128 H384 As16 F128 Ga32 N64 O80 -","16","2","","Marshall, Kayleigh L.; Armstrong, Jennifer A.; Weller, Mark T.","Gallium fluoroarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12804","12811","10.1039/c5dt01094b","","","1.54184","CuKα","","0.0602","0.0532","","","0.1387","0.1458","","","","","","1.047","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035489","14.6075","0.0003","15.3236","0.0003","32.3586","0.0005","90","","90","","90","","7243.1","0.2","148","2","148","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cl2 Mo N2 O3 -","- C16 H18 Cl2 Mo N2 O3 -","- C256 H288 Cl32 Mo16 N32 O48 -","16","2","","Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.","Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13133","13140","10.1039/c5dt01799h","","","0.71073","MoKα","","0.0622","0.0372","","","0.0692","0.0791","","","","","","1.046","","","","has coordinates","153208","2020-10-21","18:00:00",""
"7035498","9.9759","0.0002","16.3834","0.0006","32.0639","0.0008","90","","90","","90","","5240.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cl4 N6 Zn -","- C26 H24 Cl4 N6 Zn -","- C208 H192 Cl32 N48 Zn8 -","8","1","","Buvaylo, Elena A.; Kokozay, Vladimir N.; Linnik, Rostyslav P.; Vassilyeva, Olga Yu; Skelton, Brian W.","Hybrid organic-inorganic chlorozincate and a molecular zinc complex involving the in situ formed imidazo[1,5-a]pyridinium cation: serendipitous oxidative cyclization, structures and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13735","13744","10.1039/c5dt01491c","","","0.71073","MoKα","","0.0687","0.0426","","","0.0727","0.0791","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035560","13.0567","0.0005","16.889","0.0007","32.3602","0.0012","90","","90","","90","","7135.9","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H14 B F2 N O S -","- C21 H14 B F2 N O S -","- C336 H224 B16 F32 N16 O16 S16 -","16","2","","Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang","AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14063","14070","10.1039/c5dt01525a","","","1.54184","CuKα","","0.0759","0.0526","","","0.1279","0.1452","","","","","","1.021","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7035587","12.1771","0.0003","16.0504","0.0003","26.4131","0.0005","90","","90","","90","","5162.37","0.19","105.7","0.3","105.7","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-bis(2,6-diisopropylphenyl)-2-phosphanylimidazolidine","","- C27 H41 N2 P -","- C27 H41 N2 P -","- C216 H328 N16 P8 -","8","1","","Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.","Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5999","6003","10.1039/c5dt01741f","","x-ray","0.71073","MoKα","","0.0633","0.0545","","","0.1275","0.1323","","","","","","1.111","","","","has coordinates","181713","2020-10-21","18:00:00",""
"7035599","21.2904","0.0004","17.616","0.0003","22.126","0.0004","90","","90","","90","","8298.4","0.3","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H57 Cl N3 O Zn -","- C47 H57 Cl N3 O Zn -","- C376 H456 Cl8 N24 O8 Zn8 -","8","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0315","0.031","","","0.0874","0.0878","","","","","","1.041","","","","has coordinates,has disorder","181710","2020-10-21","18:00:00",""
"7035600","16.3329","0.0007","23.2052","0.001","26.7476","0.0012","90","","90","","90","","10137.6","0.8","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H72 Cl N4 O2 Zn -","- C56 H72 Cl N4 O2 Zn -","- C448 H576 Cl8 N32 O16 Zn8 -","8","1","","Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.","Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5989","5998","10.1039/c5dt01541c","","","1.54178","CuKα","","0.0627","0.0519","","","0.1407","0.1524","","","","","","1.039","","","","has coordinates","181710","2020-10-21","18:00:00",""
"7035638","19.7833","0.0017","19.3362","0.0017","28.545","0.003","90","","90","","90","","10919.4","1.8","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C114 H172 Al2 N4 Na2 O2 -","- C114 H172 Al2 N4 Na2 O2 -","- C456 H688 Al8 N16 Na8 O8 -","4","0.5","","Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan","Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13671","13680","10.1039/c5dt01693b","","","0.71073","MoKα","","0.1067","0.0689","","","0.1309","0.1505","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035646","29.325","0.005","13.413","0.005","36.016","0.005","90","","90","","90","","14166","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H104 Co9 N24 O96 P2 W18 -","- C72 H48 Co9 N24 O96 P2 W18 -","- C288 H192 Co36 N96 O384 P8 W72 -","4","0.5","","Song, Bai-Qiao; Wang, Xin-Long; Sun, Chun-Yi; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Zhao, Liang; Su, Zhong-Min","An organic-inorganic hybrid photocatalyst based on sandwich-type tetra-Co-substituted phosphotungstates with high visible light photocatalytic activity.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","13818","13822","10.1039/c5dt01560j","","","0.71069","MoKα","","0.0643","0.0391","","","0.0984","0.1185","","","","","","1.044","","","","has coordinates,has disorder","153165","2020-10-21","18:00:00",""
"7035737","19.719","0.002","15.6642","0.0017","27.118","0.003","90","","90","","90","","8376.3","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C86 H66 Co7 N4 O28 -","- C86 H66 Co7 N4 O28 -","- C344 H264 Co28 N16 O112 -","4","0.5","","An, Bing; Wang, Jun-Li; Bai, Yan; Dang, Dong-Bin","Systematic design of secondary building units by an efficient cation-directing strategy under regular vibrations of ionic liquids.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14666","14672","10.1039/c5dt01595b","","","0.71073","MoKα","","0.0686","0.046","","","0.1191","0.128","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035838","22.8089","0.0006","10.9073","0.0003","28.9113","0.0009","90","","90","","90","","7192.7","0.4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H45 Fe I P2 Si2 -","- C37 H45 Fe I P2 Si2 -","- C296 H360 Fe8 I8 P16 Si16 -","8","1","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","1.54184","CuKα","","0.0387","0.028","","","0.0585","0.062","","","","","","1.033","","","","has coordinates","153164","2020-10-21","18:00:00",""
"7035845","10.2438","0.0006","18.3796","0.001","53.779","0.003","90","","90","","90","","10125.3","1","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Fe P2 -","- C31 H30 Fe P2 -","- C496 H480 Fe16 P32 -","16","2","","Patel, Dipti; Wooles, Ashley; Cornish, Andrew D.; Steven, Lindsey; Davies, E. Stephen; Evans, David J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and characterisation of halide, separated ion pair, and hydride cyclopentadienyl iron bis(diphenylphosphino)ethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","31","14159","14177","10.1039/c5dt00704f","","","0.71073","MoKα","","0.0972","0.0717","","","0.1364","0.1449","","","","","","1.167","","","","has coordinates","182257","2020-10-21","18:00:00",""
"7035883","10.62","0.0002","13.0884","0.0002","40.5195","0.0006","90","","90","","90","","5632.16","0.16","123","","123","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 F12 N9 Ni P2 -","- C21 H27 F12 N9 Ni P2 -","- C168 H216 F96 N72 Ni8 P16 -","8","1","","Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E","Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18329","18339","10.1039/c5dt02386f","","x-ray","0.71073","MoKα","","0.0537","0.0351","","","0.0765","0.0841","","","","","","1.017","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7035950","14.9903","0.0005","17.0446","0.0008","26.6128","0.0015","90","","90","","90","","6799.7","0.5","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 F6 Ni O P2 -","- C33 H44 F6 Ni O P2 -","- C264 H352 F48 Ni8 O8 P16 -","8","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J","Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15653","15663","10.1039/c5dt02366a","","","0.71073","MoKα","","0.0993","0.0595","","","0.1376","0.1653","","","","","","1.032","","","","has coordinates,has disorder","161305","2020-10-21","18:00:00",""
"7035985","20.0572","0.0015","15.3589","0.0011","9.5549","0.0007","90","","90","","90","","2943.4","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N4 -","- C20 H12 N4 -","- C160 H96 N32 -","8","1","","Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy","An imidazolyl-pyreno-imidazole conjugate as a cyanide sensor and a set-reset memorized sequential logic device.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","15994","16012","10.1039/c5dt01317h","","","0.71073","MoKα","","0.1293","0.065","","","0.1545","0.1907","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036141","8.9342","0.0008","15.4964","0.0014","25.966","0.002","90","","90","","90","","3594.9","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 As Er N6 S4 -","- C8 H26 As Er N6 S4 -","- C64 H208 As8 Er8 N48 S32 -","8","1","","Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng","The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6015","6022","10.1039/c5dt02188j","","","0.71073","MoKα","","0.0295","0.0252","","","0.0662","0.0695","","","","","","1.091","","","","has coordinates","181727","2020-10-21","18:00:00",""
"7036177","22.658","0.002","14.6316","0.0016","13.4069","0.0014","90","","90","","90","","4444.7","0.8","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O10 W2 -","- C20 H8 N2 O10 W2 -","- C160 H64 N16 O80 W16 -","8","1","","Yorsaeng, Sakkawet; Tsutsumi, Ken; Kitiyanan, Boonyarach; Nomura, Kotohiro","Synthesis and structural analysis of tungsten-carbonyl dimers bridged with oligo(2,5-dialkoxy-1,4-phenylene vinylene)s through pyridine coordination.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16728","16736","10.1039/c5dt02726h","","","0.71075","MoKα","","0.0143","0.012","","","0.0288","0.0292","","","","","","1.143","","","","has coordinates","171105","2020-10-21","18:00:00",""
"7036252","17.974","0.005","19.582","0.005","28.567","0.007","90","","90","","90","","10055","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H36 B Cs F24 O4 S2 -","- C44 H36 B Cs F24 O4 S2 -","- C352 H288 B8 Cs8 F192 O32 S16 -","8","1","","Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian","Neutral thioether and selenoether macrocyclic coordination to Group 1 cations (Li-Cs) - synthesis, spectroscopic and structural properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18748","18759","10.1039/c5dt02583d","","","0.71075","MoKα","","0.1176","0.0604","","","0.1269","0.1548","","","","","","1.016","","","","has coordinates,has disorder","171231","2020-10-21","18:00:00",""
"7036261","10.9941","0.001","20.29","0.0019","25.862","0.002","90","","90","","90","","5769","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 Co N10 O4 -","- C32 H22 Co N10 O4 -","- C256 H176 Co8 N80 O32 -","8","1","","Shi, Zhenzhen; Pan, Zhaorui; Zhang, Chuanlei; Zheng, Hegen","Syntheses, structures, and properties of six cobalt(ii) complexes based on a tripodal tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16854","16864","10.1039/c5dt02774h","","","0.71073","MoKα","","0.0878","0.0565","","","0.1369","0.1557","","","","","","1.018","","","","has coordinates","171106","2020-10-21","18:00:00",""
"7036276","9.7255","0.0007","12.2075","0.0008","19.9276","0.0018","90","","90","","90","","2365.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B2 Co H3 K2 O14 P3 -","- B2 Co H3 K2 O14 P3 -","- B16 Co8 H24 K16 O112 P24 -","8","1","","Zhang, Dan; Feng, Yuquan; Liu, Yunling; Zhang, Yuan; Li, Guanghua; Yuan, Hongming","Organotemplate-free synthesis of two open-framework metal borophosphates.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17100","17105","10.1039/c5dt02637g","","","0.71073","MoKα","","0.0317","0.0265","","","0.0716","0.076","","","","","","1.006","","","","has coordinates","161199","2020-10-21","18:00:00",""
"7036277","9.5543","0.0019","12.056","0.002","19.814","0.004","90","","90","","90","","2282.3","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B2 Co H K2 O13 P3 -","- B2 Co H K2 O13 P3 -","- B16 Co8 H8 K16 O104 P24 -","8","1","","Zhang, Dan; Feng, Yuquan; Liu, Yunling; Zhang, Yuan; Li, Guanghua; Yuan, Hongming","Organotemplate-free synthesis of two open-framework metal borophosphates.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17100","17105","10.1039/c5dt02637g","","","0.71073","MoKα","","0.0447","0.0316","","","0.0712","0.076","","","","","","1.031","","","","has coordinates,has disorder","161199","2020-10-21","18:00:00",""
"7036289","12.601","0.001","16.725","0.001","41.916","0.001","90","","90","","90","","8833.9","0.9","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H37 B2 F8 N3 P2 Pd -","- C42 H37 B2 F8 N3 P2 Pd -","- C336 H296 B16 F64 N24 P16 Pd8 -","8","1","","Cheisson, Thibault; Auffrant, Audrey","Palladium(ii) complexes featuring a mixed phosphine-pyridine-iminophosphorane pincer ligand: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2069","2078","10.1039/c5dt02789f","","","0.71069","MoKα","","0.0728","0.0713","","","0.1551","0.1557","","","","","","1.225","","","","has coordinates,has disorder","176095","2020-10-21","18:00:00",""
"7036300","7.2532","0.0017","20.093","0.004","24.757","0.006","90","","90","","90","","3608","1.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-biphenyl)(4,4'-dibromo-2,2'-bipyridyl)platinum(II)","","- C22 H14 Br2 N2 Pt -","- C22 H14 Br2 N2 Pt -","- C176 H112 Br16 N16 Pt8 -","8","1","","Rillema, D. Paul; Stoyanov, Stanislav R.; Cruz, Arvin J.; Nguyen, Huy; Moore, Curtis; Huang, Wei; Siam, Khamis; Jehan, Ali; KomReddy, Venugopal","HOMO-LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17075","17090","10.1039/c5dt01891a","","x-ray","0.71073","MoKα","","0.058","0.0379","","","0.0645","0.0704","","","","","","1.039","","","","has coordinates","161181","2020-10-21","18:00:00",""
"7036318","16.934","0.003","20.054","0.004","32.431","0.007","90","","90","","90","","11013","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H76 Mo6 N4 O18 -","- C37 H76 Mo6 N4 O18 -","- C296 H608 Mo48 N32 O144 -","8","1","","Lv, Chunlin; Hu, Junjie; Khan, Rao Naumaan Nasim; Zhang, Jin; Wei, Yongge","Postfunctionalization of polyoxometalates: an efficient strategy to construct organic-inorganic zwitterions.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16698","16702","10.1039/c5dt02407b","","","0.71073","MoKα","","0.108","0.0607","","","0.1502","0.1768","","","","","","1.039","","","","has coordinates,has disorder","161126","2020-10-21","18:00:00",""
"7036361","12.1467","0.0005","10.7629","0.0005","16.8959","0.0008","90","","90","","90","","2208.86","0.17","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-(Difluoroboryl)-N,N-dimethylnaphthalen-1-amine","","- C12 H12 B F2 N -","- C12 H12 B F2 N -","- C96 H96 B8 F16 N8 -","8","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","","0.71073","MoKα","","0.0594","0.0505","","0.0781","0.0532","0.0499","","","","","","1.0244","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036368","12.9283","0.0004","10.0001","0.0002","20.1811","0.0007","90","","90","","90","","2609.1","0.13","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pyridino[4,3-c]-1,3-dihydro-1-hydroxy-3-mezytyl[2,1]oxaborole","","- C15 H16 B N O2 -","- C15 H16 B N O2 -","- C120 H128 B8 N8 O16 -","8","1","","Steciuk, I.; Durka, K.; Gontarczyk, K.; Dąbrowski, M; Luliński, S; Woźniak, K","Nitrogen-boron coordination versus OHN hydrogen bonding in pyridoxaboroles - aza analogues of benzoxaboroles.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16534","16546","10.1039/c5dt02402a","","x-ray","1.54184","CuKα","","0.0567","0.0469","","","0.1348","0.1476","","","","","","0.754","","","","has coordinates","161583","2020-10-21","18:00:00",""
"7036371","16.1205","0.0003","16.2538","0.0005","26.3092","0.0006","90","","90","","90","","6893.5","0.3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C35 H38 I2 N3 O P Pd -","- C35 H38 I2 N3 O P Pd -","- C280 H304 I16 N24 O8 P8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","x-ray","0.71073","MoKα","","0.0516","0.0323","","","0.0584","0.0644","","","","","","1.013","","","","has coordinates","161914","2020-10-21","18:00:00",""
"7036374","17.887","0.006","18.351","0.007","19.356","0.006","90","","90","","90","","6353","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 I2 N3 P Pd -","- C34 H30 I2 N3 P Pd -","- C272 H240 I16 N24 P8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.064","0.0575","","","0.0797","0.0816","","","","","","1.273","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036375","15.928","0.004","16.099","0.004","26.191","0.006","90","","90","","90","","6716","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H36 I2 N3 O P Pd -","- C34 H36 I2 N3 O P Pd -","- C272 H288 I16 N24 O8 P8 Pd8 -","8","1","","Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit","Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17617","17628","10.1039/c5dt02317c","","","0.71075","MoKα","","0.0474","0.0463","","","0.0911","0.0915","","","","","","1.409","","","","has coordinates","161914","2020-10-21","18:00:00",""
"7036535","15.155","0.002","17.012","0.003","26.119","0.004","90","","90","","90","","6733.9","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-(2-(Diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole-κ","","- C32 H28 Au2 Cl4 N4 P2 -","- C32 H28 Au2 Cl4 N4 P2 -","- C256 H224 Au16 Cl32 N32 P16 -","8","1","","Bhat, Sajad A.; Mague, Joel T.; Balakrishna, Maravanji S.","Gold(i) complexes of bisphosphines with bis(azol-1-yl)methane backbone: structure of a rare dinuclear gold(i) complex [(Au2Cl){CH2(1,2-C3H2N2PPh2)2}3Cl].","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17696","17703","10.1039/c5dt03161c","","","0.71073","MoKα","","0.0367","0.0257","","","0.0525","0.0575","","","","","","1.046","","","","has coordinates","161919","2020-10-21","18:00:00",""
"7036542","9.87","0.005","14.98","0.005","24.874","0.005","90","","90","","90","","3678","2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl6 Ga2 N2 -","- C11 H10 Cl6 Ga2 N2 -","- C88 H80 Cl48 Ga16 N16 -","8","1","","Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M.","Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18247","18259","10.1039/c5dt02830b","","","0.71069","MoKα","","0.039","0.0287","","","0.0634","0.0684","","","","","","1.146","","","","has coordinates","171176","2020-10-21","18:00:00",""
"7036564","14.4724","0.0003","12.4285","0.0002","20.5504","0.0005","90","","90","","90","","3696.41","0.13","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H13 B F4 N5 O4 Re -","- C12 H13 B F4 N5 O4 Re -","- C96 H104 B8 F32 N40 O32 Re8 -","8","1","","Gómez-Iglesias, Patricia; Martín-Alvarez, Jose Miguel; Miguel, Daniel; Villafañe, Fernando","Amidino ligands obtained from the coupling of 1-methylcytosine and nitrile: a new method to incorporate biomolecules into luminescent Re(CO)3 complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17478","17481","10.1039/c5dt03221k","","x-ray","0.71073","MoKα","","0.054","0.032","","","0.0659","0.0753","","","","","","1.029","","","","has coordinates,has disorder","161973","2020-10-21","18:00:00",""
"7036578","16.136","0.006","15.686","0.005","20.361","0.007","90","","90","","90","","5154","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 F5 Li N3 -","- C24 H33 F5 Li N3 -","- C192 H264 F40 Li8 N24 -","8","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.1918","0.0713","","","0.1824","0.2835","","","","","","0.982","","","","has coordinates,has disorder","171190","2020-10-21","18:00:00",""
"7036632","18.2507","0.0009","18.1651","0.0006","18.8518","0.0007","90","","90","","90","","6249.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ManganeseMOF","","","- C25 H29 Mn2 N3 O13 -","- C25 H29 Mn2 N3 O13 -","- C200 H232 Mn16 N24 O104 -","8","1","","Asha, K. S.; Ranjith, K. M.; Yogi, Arvind; Nath, R.; Mandal, Sukhendu","Magnetic properties of manganese based one-dimensional spin chains.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19812","19819","10.1039/c5dt03080c","","","0.71073","MoKα","","0.0895","0.0476","","","0.1225","0.1528","","","","","","1.003","","","","has coordinates","171120","2020-10-21","18:00:00",""
"7036634","10.6779","0.0001","8.7893","0.0001","15.0409","0.0002","90","","90","","90","","1411.61","0.03","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H10 N4 -","- C5 H10 N4 -","- C40 H80 N32 -","8","1","","Degtyarik, Mikhail M.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Matulis, Vitaly E.; Matulis, Vadim E.; Gruschinski, Sina; Voitekhovich, Sergei V.; Kersting, Berthold; Ivashkevich, Oleg A.","Copper(ii) tetrafluoroborate complexes with the N(3),N(4)-bridging coordination of 1-(tert-butyl)-1H-tetrazole: synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18518","18526","10.1039/c5dt02871j","","","0.71073","MoKα","","0.0329","0.0306","","","0.0842","0.0867","","","","","","1.007","","","","has coordinates","171276","2020-10-21","18:00:00",""
"7036652","20.036","0.003","18.337","0.002","21.409","0.003","90","","90","","90","","7865.7","1.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H52 Cl4 Ga N3 P2 -","- C35 H52 Cl4 Ga N3 P2 -","- C280 H416 Cl32 Ga8 N24 P16 -","8","1","","Beil, Andreas; Gilliard, Robert J.; Grützmacher, Hansjörg","From the parent phosphinidene-carbene adduct NHC[double bond, length as m-dash]PH to cationic P4-rings and P2-cycloaddition products.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2044","2052","10.1039/c5dt03014e","","x-ray","0.71073","MoKα","","0.0502","0.041","","","0.1428","0.1493","","","","","","1.178","","","","has coordinates,has disorder","176070","2020-10-21","18:00:00",""
"7036703","12.635","0.0002","18.473","0.0003","23.941","0.0003","90","","90","","90","","5587.98","0.14","120","1","120","1","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C30 H14 F10 N2 Pt S2 -","- C30 H14 F10 N2 Pt S2 -","- C240 H112 F80 N16 Pt8 S16 -","8","1","","Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S","Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18839","18855","10.1039/c5dt02721g","","x-ray","0.71073","MoKα","","0.034","0.026","","","0.0543","0.0583","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036738","15.636","0.003","15.607","0.003","30.709","0.006","90","","90","","90","","7494","3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H45 Bi O11 -","- C39 H45 Bi O11 -","- C312 H360 Bi8 O88 -","8","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","synchrotron","","0.0353","0.0331","","","0.0846","0.0858","","","","","","1.15","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036747","20.797","0.004","15.314","0.003","26.182","0.005","90","","90","","90","","8339","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H43 Bi Cl2 N2 O4 -","- C49 H43 Bi Cl2 N2 O4 -","- C392 H344 Bi8 Cl16 N16 O32 -","8","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7108","synchrotron","","0.047","0.0402","","","0.1085","0.1131","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036813","8.6107","0.0006","9.9794","0.0007","18.6737","0.0012","90","","90","","90","","1604.62","0.19","180","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N O4 P -","- C6 H8 Cu N O4 P -","- C48 H64 Cu8 N8 O32 P8 -","8","1","","Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min","Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19256","19263","10.1039/c5dt03050a","","","0.71073","MoKα","","0.0344","0.0268","","","0.0673","0.0708","","","","","","1.007","","","","has coordinates","171219","2020-10-21","18:00:00",""
"7036859","16.5703","0.0005","16.4159","0.0007","39.7779","0.0019","90","","90","","90","","10820.2","0.8","150","1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H35 Li N2 O2 -","- C32 H35 Li N2 O2 -","- C512 H560 Li16 N32 O32 -","16","2","","Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.","Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19865","19879","10.1039/c5dt03222a","","","1.5418","CuKα","","0.0683","0.0526","","","0.1374","0.1524","","","","","","1.019","","","","has coordinates","171110","2020-10-21","18:00:00",""
"7036867","16.115","0.005","16.04","0.007","17.0193","0.0017","90","","90","","90","","4399","2","80","2","80","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","siliconthiodichloride stabilized by cyclicalkylaminocarbene","","","- C20 H31 Cl2 N S Si -","- C20 H31 Cl2 N S Si -","- C160 H248 Cl16 N8 S8 Si8 -","8","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Otręba, Marta; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.","Solvothermal synthesis of enneanuclear [CuLn] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19880","19885","10.1039/c5dt03542b","","","0.4765","synchrotron","","0.0624","0.0444","","","0.1047","0.1137","","","","","","1.031","","","","has coordinates","171115","2020-10-21","18:00:00",""
"7036871","16.115","0.005","16.04","0.007","17.0193","0.0017","90","","90","","90","","4399","2","80","2","80","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","siliconthiodichloride stabilized by cyclicalkylaminocarbene","","","- C20 H31 Cl2 N S Si -","- C20 H31 Cl2 N S Si -","- C160 H248 Cl16 N8 S8 Si8 -","8","1","","Roy, Sudipta; Mondal, Kartik Chandra; Mondal, Totan; Koley, Debasis; Dittrich, Birger; Roesky, Herbert W.","Monomeric siliconthiodichloride trapped by a Lewis base.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19942","19947","10.1039/c5dt03742e","","","0.4765","synchrotron","","0.0624","0.0444","","","0.1047","0.1137","","","","","","1.031","","","","has coordinates","171125","2020-10-21","18:00:00",""
"7036877","16.115","0.005","16.04","0.007","17.0193","0.0017","90","","90","","90","","4399","2","80","2","80","2","","","","","","","synthesis","6","P b c a","-P 2ac 2ab","61","siliconthiodichloride stabilized by cyclicalkylaminocarbene","","","- C20 H31 Cl2 N S Si -","- C20 H31 Cl2 N S Si -","- C160 H248 Cl16 N8 S8 Si8 -","8","1","","Han, Xiaohui; Wang, Zhenqing; Xu, Jin; Liu, Dan; Wang, Cheng","A crown-like heterometallic unit as the building block for a 3D In-Ge-S framework.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19768","19771","10.1039/c5dt03556b","","","0.4765","synchrotron","","0.0624","0.0444","","","0.1047","0.1137","","","","","","1.031","","","","has coordinates","171129","2020-10-21","18:00:00",""
"7036886","14.9763","0.0005","10.5573","0.0003","27.4132","0.0011","90","","90","","90","","4334.3","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 Cu N4 O4 -","- C25 H18 Cu N4 O4 -","- C200 H144 Cu8 N32 O32 -","8","1","","Paul, Anup; Anbu, Sellamuthu; Sharma, Gunjan; Kuznetsov, Maxim L.; Koch, Biplob; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Synthesis, DNA binding, cellular DNA lesion and cytotoxicity of a series of new benzimidazole-based Schiff base copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19983","19996","10.1039/c5dt02880a","","","0.71073","MoKα","","0.0824","0.0424","","","0.0928","0.1112","","","","","","1.012","","","","has coordinates","171109","2020-10-21","18:00:00",""
"7036952","11.145","0.0007","16.9903","0.001","17.4117","0.001","90","","90","","90","","3297","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Ni P2 S4 -","- C36 H28 Ni P2 S4 -","- C144 H112 Ni4 P8 S16 -","4","0.5","","Chang, Hao-Ching; Hsu, Yu-Chen; Chen, Chia-Hui; Kuo, Ting-Shen; Lee, Way-Zen","Thioiminium and thiaphospholanium derived from acetonitrile via nickel(ii)-(2-mercaptophenyl)phosphine complexation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20808","20811","10.1039/c5dt03316k","","","0.71073","MoKα","","0.0596","0.0376","","","0.0877","0.0984","","","","","","1.013","","","","has coordinates","171142","2020-10-21","18:00:00",""
"7037011","15.5509","0.0002","11.952","0.0001","18.5778","0.0003","90","","90","","90","","3452.95","0.08","123","2","123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Al2 Cl6 N2 -","- C10 H8 Al2 Cl6 N2 -","- C80 H64 Al16 Cl48 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","1.54178","CuKα","","0.0358","0.0303","","","0.0744","0.0805","","","","","","1.084","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037012","15.5909","0.0007","11.9714","0.0006","18.6015","0.0008","90","","90","","90","","3471.9","0.3","123.05","0.1","123.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl6 Ga2 N2 -","- C10 H8 Cl6 Ga2 N2 -","- C80 H64 Cl48 Ga16 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","0.71073","MoKα","","0.0403","0.028","","","0.0522","0.0559","","","","","","1.033","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037013","15.581","0.005","11.971","0.005","18.613","0.005","90","","90","","90","","3472","2","423","2","423.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Al1.1 Cl6 Ga0.9 N2 -","- C10 H8 Al1.1 Cl6 Ga0.9 N2 -","- C80 H64 Al8.8 Cl48 Ga7.2 N16 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","","0.71073","MoKα","","0.0391","0.0272","","","0.0662","0.0689","","","","","","0.948","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037027","21.5431","0.0008","9.355","0.0004","23.299","0.0009","90","","90","","90","","4695.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H14 Cl2 N7 O3 Re -","- C22 H14 Cl2 N7 O3 Re -","- C176 H112 Cl16 N56 O24 Re8 -","8","1","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.0408","0.0239","","","0.0485","0.0558","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037038","13.9412","0.0003","20.1005","0.0006","25.5295","0.0008","90","","90","","90","","7154","0.3","250","0.1","250","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","1a(250 K)","1032872","","- C30 H38 Cl2 Fe N6 O12 -","- C30 H38 Cl2 Fe N6 O12 -","- C240 H304 Cl16 Fe8 N48 O96 -","8","1","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.0797","0.059","","","0.1572","0.1764","","","","","","1.031","","","","has coordinates","171151","2020-10-21","18:00:00",""
"7037039","13.8634","0.0004","20.0412","0.0005","25.3447","0.0008","90","","90","","90","","7041.8","0.3","180.01","0.1","180.01","0.1","","","","","","","no","6","P b c a","-P 2ac 2ab","61","1a(180 K)","1032876","","- C30 H38 Cl2 Fe N6 O12 -","- C30 H38 Cl2 Fe N6 O12 -","- C240 H304 Cl16 Fe8 N48 O96 -","8","1","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.0795","0.0658","","","0.1688","0.1806","","","","","","1.034","","","","has coordinates","171151","2020-10-21","18:00:00",""
"7037041","16.9258","0.0004","19.0959","0.0005","22.9024","0.0005","90","","90","","90","","7402.4","0.3","100.1","0.3","100.1","0.3","","","","","","","no","6","P b c a","-P 2ac 2ab","61","1b(100 K)","1032885","","- C32 H41 Cl2 Fe N7 O12 -","- C32 H41 Cl2 Fe N7 O12 -","- C256 H328 Cl16 Fe8 N56 O96 -","8","1","","Zhu, Yuan-Yuan; Liu, Chang-Wei; Yin, Ji; Meng, Zhao-Sha; Yang, Qian; Wang, Junhu; Liu, Tao; Gao, Song","Structural phase transition in a multi-induced mononuclear Fe(II) spin-crossover complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20906","20912","10.1039/c5dt03216d","","","0.71073","MoKα","","0.057","0.0397","","","0.0909","0.1013","","","","","","1.042","","","","has coordinates","171151","2020-10-21","18:00:00",""
"7037114","8.6107","0.0006","9.9794","0.0007","18.6737","0.0012","90","","90","","90","","1604.62","0.19","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N O4 P -","- C6 H8 Cu N O4 P -","- C48 H64 Cu8 N8 O32 P8 -","8","1","","Yang, Ting-Hai; Cai, Zhong-Sheng; Shi, Fa-Nian; Zheng, Li-Min","Cobalt and copper pyridylmethylphosphonates with two- and three-dimensional structures and field-induced magnetic transitions.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19256","19263","10.1039/c5dt03050a","","","0.71073","MoKα","","0.0344","0.0268","","","0.0673","0.0708","","","","","","1.007","","","","has coordinates","170202","2020-10-21","18:00:00",""
"7037122","11.8262","0.0002","12.9247","0.0002","20.5761","0.0003","90","","90","","90","","3145.06","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cr Fe O5 P -","- C15 H11 Cr Fe O5 P -","- C120 H88 Cr8 Fe8 O40 P8 -","8","1","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.0377","0.0284","","","0.0658","0.0703","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037123","12.0167","0.0001","12.9896","0.0001","20.833","0.0002","90","","90","","90","","3251.87","0.05","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Fe O5 P W -","- C15 H11 Fe O5 P W -","- C120 H88 Fe8 O40 P8 W8 -","8","1","","Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie","Hydrophosphination reactions with transition metal ferrocenylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2208","2217","10.1039/c5dt03374h","","","0.71073","MoKα","","0.039","0.032","","","0.0606","0.0629","","","","","","1.235","","","","has coordinates","176060","2020-10-21","18:00:00",""
"7037205","17.728","0.005","19.613","0.006","26.662","0.008","90","","90","","90","","9270","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H35 B Cl3 F24 N3 Si -","- C41 H35 B Cl3 F24 N3 Si -","- C328 H280 B8 Cl24 F192 N24 Si8 -","8","1","","Everett, Matthew; Jolleys, Andrew; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian","Cationic aza-macrocyclic complexes of germanium(ii) and silicon(iv).","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20898","20905","10.1039/c5dt03941j","","","0.71075","MoKα","","0.1465","0.0965","","","0.1366","0.155","","","","","","1.176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037324","19.5768","0.0011","22.4465","0.0013","31.3999","0.0019","90","","90","","90","","13798.1","1.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C74 H66 Cl0 Cu2 F6 N6 P4 -","- C74 H66 Cu2 F6 N6 P4 -","- C592 H528 Cu16 F48 N48 P32 -","8","1","","Chen, Jing-Lin; Guo, Zong-Hao; Yu, Hua-Guang; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent dinuclear copper(i) complexes bearing 1,4-bis(diphenylphosphino)butane and functionalized 3-(2'-pyridyl)pyrazole mixed ligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","696","705","10.1039/c5dt03451e","","","0.71073","MoKα","","0.1218","0.0598","","","0.1171","0.1476","","","","","","1.108","","","","has coordinates","175992","2020-10-21","18:00:00",""
"7037349","8.7262","0.0003","25.5904","0.0015","30.9247","0.0018","90","","90","","90","","6905.7","0.6","150","2","150","2","","","","","","","synthesized by the authors","7","P b c a","-P 2ac 2ab","61","","","","- C28 H44 F6 N4 Ni O8 S2 -","- C28 H44 F6 N4 Ni O8 S2 -","- C224 H352 F48 N32 Ni8 O64 S16 -","8","1","","Blahut, Jan; Hermann, Petr; Gálisová, Andrea; Herynek, Vít; Císařová, Ivana; Tošner, Zdeněk; Kotek, Jan","Nickel(ii) complexes of N-CH2CF3 cyclam derivatives as contrast agents for (19)F magnetic resonance imaging.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","474","478","10.1039/c5dt04138d","","","0.71073","MoKα","","0.1029","0.0563","","","0.106","0.1212","","","","","","1.02","","","","has coordinates","175988","2020-10-21","18:00:00",""
"7037532","24.238","0.002","27.209","0.002","30.177","0.002","90","","90","","90","","19901","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H123 N3 O26 P6 Sb4 Se2 -","- C78 H123 N3 O26 P6 Sb4 Se2 -","- C624 H984 N24 O208 P48 Sb32 Se16 -","8","1","","Ugandhar, Uppara; Baskar, Viswanathan","Monoorganoantimony(v) phosphonates and phosphoselininates.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6269","6274","10.1039/c5dt03449c","","","0.71073","MoKα","","0.0918","0.0569","","","0.1419","0.17","","","","","","1.098","","","","has coordinates","181740","2020-10-21","18:00:00",""
"7037555","22.2015","0.0014","8.3733","0.0005","36.918","0.002","90","","90","","90","","6863","0.7","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl Dy N3 Na O8 P -","- C32 H33 Cl Dy N3 Na O8 P -","- C256 H264 Cl8 Dy8 N24 Na8 O64 P8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0496","0.0403","","","0.0792","0.0823","","","","","","1.239","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037557","22.267","0.003","8.4192","0.0013","36.839","0.006","90","","90","","90","","6906.2","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl Gd N3 Na O8 P -","- C32 H33 Cl Gd N3 Na O8 P -","- C256 H264 Cl8 Gd8 N24 Na8 O64 P8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0561","0.0415","","","0.0738","0.0778","","","","","","1.173","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037558","22.2076","0.0017","8.4021","0.0007","36.877","0.003","90","","90","","90","","6880.9","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl N3 Na O8 P Tb -","- C32 H33 Cl N3 Na O8 P Tb -","- C256 H264 Cl8 N24 Na8 O64 P8 Tb8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0651","0.0425","","","0.0777","0.0842","","","","","","1.077","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037559","22.22","0.004","8.3683","0.0016","36.89","0.007","90","","90","","90","","6859","2","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Cl Ho N3 Na O8 P -","- C32 H33 Cl Ho N3 Na O8 P -","- C256 H264 Cl8 Ho8 N24 Na8 O64 P8 -","8","1","","Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi","Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20834","20838","10.1039/c5dt04147c","","","0.71073","MoKα","","0.0722","0.0367","","","0.0852","0.1134","","","","","","1.014","","","","has coordinates","170870","2020-10-21","18:00:00",""
"7037671","20.681","0.004","13.187","0.003","32.788","0.007","90","","90","","90","","8942","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H46 Cl4 Cu4 Ge N10 O46 W12 -","- C60 H40 Cl4 Cu4 Ge N10 O46 W12 -","- C240 H160 Cl16 Cu16 Ge4 N40 O184 W48 -","4","0.5","","Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2562","2573","10.1039/c5dt04413h","","","0.71073","MoKα","","0.0747","0.0626","","","0.125","0.13","","","","","","1.072","","","","has coordinates","177818","2020-10-21","18:00:00",""
"7037678","26.3438","0.0006","12.3067","0.0003","28.9628","0.0007","90","","90","","90","","9389.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H36 Co2 N4 O6 -","- C52 H36 Co2 N4 O6 -","- C416 H288 Co16 N32 O48 -","8","1","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","1.54184","CuKα","","0.0959","0.0593","","","0.1861","0.2087","","","","","","1.113","","","","has coordinates","176034","2020-10-21","18:00:00",""
"7037679","26.2828","0.0004","12.25878","0.00017","28.8218","0.0004","90","","90","","90","","9286.2","0.2","295","2","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 Cu2 N4 O7 S -","- C54 H41.496 Cu2 N4 O7 S -","- C432 H331.968 Cu16 N32 O56 S8 -","8","1","","Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.","Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1443","1454","10.1039/c5dt03407h","","","0.71073","MoKα","","0.0547","0.0391","","","0.1117","0.12","","","","","","1.002","","","","has coordinates,has disorder","176034","2020-10-21","18:00:00",""
"7037682","26.52","0.008","13.627","0.004","13.432","0.004","90","","90","","90","","4854","3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl2 N6 O4 Os -","- C23 H20 Cl2 N6 O4 Os -","- C184 H160 Cl16 N48 O32 Os8 -","8","1","","Das, Ankita; Mondal, Prasenjit; Dasgupta, Moumita; Kishore, Nand; Lahiri, Goutam Kumar","Substituent directed selectivity in anion recognition by a new class of simple osmium-pyrazole derived receptors.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2605","2617","10.1039/c5dt04538j","","","0.71075","MoKα","","0.0656","0.0582","","","0.0904","0.0931","","","","","","1.246","","","","has coordinates","177800","2020-10-21","18:00:00",""
"7037706","13.2833","0.0017","11.5401","0.0015","26.694","0.004","90","","90","","90","","4091.9","1","140","1","140","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl2 Cu N2 O S -","- C15 H24 Cl2 Cu N2 O S -","- C120 H192 Cl16 Cu8 N16 O8 S8 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1560","1571","10.1039/c5dt03855c","","","0.71073","MoKα","","0.0424","0.0292","","","0.0633","0.0665","","","","","","1.084","","","","has coordinates","176028","2020-10-21","18:00:00",""
"7037740","19.8408","0.0008","17.8369","0.0008","29.8764","0.0013","90","","90","","90","","10573.2","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H72 Al2 N4 P2 Si2 -","- C50 H72 Al2 N4 P2 Si2 -","- C400 H576 Al16 N32 P16 Si16 -","8","1","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0478","0.0325","","","0.0721","0.0789","","","","","","1.04","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037742","19.867","0.002","17.862","0.0017","29.774","0.003","90","","90","","90","","10565.7","1.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H72 Ga2 N4 P2 Si2 -","- C50 H72 Ga2 N4 P2 Si2 -","- C400 H576 Ga16 N32 P16 Si16 -","8","1","","Kapitein, Manuel; Balmer, Markus; Niemeier, Lukas; von Hänisch, Carsten","Cyclic NHC-stabilized silylphosphinoalanes and -gallanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6275","6281","10.1039/c5dt03889h","","","0.71073","MoKα","","0.0617","0.0361","","","0.0682","0.0774","","","","","","1.052","","","","has coordinates","181724","2020-10-21","18:00:00",""
"7037772","17.3578","0.0002","14.4425","0.00018","36.1516","0.0004","90","","90","","90","","9062.85","0.18","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H42 Cl2 F7 P3 Ru -","- C50 H42 Cl2 F7 P3 Ru -","- C400 H336 Cl16 F56 P24 Ru8 -","8","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.032","0.0267","","","0.0601","0.0628","","","","","","1.066","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037773","17.5524","0.0003","19.8953","0.0004","25.3282","0.0005","90","","90","","90","","8844.9","0.3","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H42.115 Cl2 F6.885 P3 Ru -","- C50 H42.115 Cl2 F6.885 P3 Ru -","- C400 H336.92 Cl16 F55.08 P24 Ru8 -","8","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0444","0.0318","","","0.073","0.0806","","","","","","1.049","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037774","17.8473","0.0004","14.6795","0.0003","35.2252","0.0016","90","","90","","90","","9228.6","0.5","110.05","0.1","110.05","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H42 B Cl2 F7 P2 Ru -","- C51 H42 B Cl2 F7 P2 Ru -","- C408 H336 B8 Cl16 F56 P16 Ru8 -","8","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0631","0.0471","","","0.0826","0.0896","","","","","","1.107","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037780","7.972","0.0002","17.9802","0.0005","36.9522","0.001","90","","90","","90","","5296.7","0.2","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H29 F3 N4 O4 Pd S -","- C25 H29 F3 N4 O4 Pd S -","- C200 H232 F24 N32 O32 Pd8 S8 -","8","1","","Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.","Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","820","830","10.1039/c5dt03597j","","","0.71073","MoKα","","0.042","0.0254","","","0.0599","0.0619","","","","","","1.019","","","","has coordinates","171866","2020-10-21","18:00:00",""
"7037787","7.9801","0.0007","18.5685","0.0019","26.854","0.003","90","","90","","90","","3979.2","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N4 O -","- C25 H18 N4 O -","- C200 H144 N32 O8 -","8","1","","Vinogradova, Katerina A.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Boguslavsky, Evgenii G.; Bushuev, Mark B.","Mixed-valence copper(i,ii) complexes with 4-(1H-pyrazol-1-yl)-6-R-pyrimidines: from ionic structures to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","515","524","10.1039/c5dt04005a","","x-ray","0.71073","MoKα","","0.0713","0.0403","","","0.0862","0.0946","","","","","","1.008","","","","has coordinates","171868","2020-10-21","18:00:00",""
"7037804","13.283","","12.311","","13.786","","90","","90","","90","","2254.38","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cl2 (P2 B10 H8)","","- B10 Cl2 H8 P2 -","- B10 Cl2 H8 P2 -","- B80 Cl16 H64 P16 -","8","1","","Gruener, B.; Hnyk, D.; Stibr, B.; Cisarova, I.; Plzak, Z.","Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10)","Journal of the Chemical Society. Dalton Transactions","2002","2002","","2954","2959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037922","8.9867","0.0007","14.7912","0.0011","17.9613","0.0013","90","","90","","90","","2387.5","0.3","150","2","150.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Mn N9 -","- C11 H7 Mn N9 -","- C88 H56 Mn8 N72 -","8","1","","Tsao, Jung-Yu; Tsai, Jia-Dong; Yang, Chen-I","Azide-bridged Cu(ii), Mn(ii) and Co(ii) coordination polymers constructed with a bifunctional ligand of 6-(1H-tetrazol-5-yl)-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3388","3397","10.1039/c5dt04773k","","","0.71073","MoKα","","0.0386","0.037","","","0.084","0.0845","","","","","","1.251","","","","has coordinates","177850","2020-10-21","18:00:00",""
"7037933","8.3334","0.0007","13.5214","0.001","30.503","0.003","90","","90","","90","","3437.1","0.5","123","","123.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IB-26","","- C16 H16 N O5 P S2 -","- C16 H16 N O5 P S2 -","- C128 H128 N8 O40 P8 S16 -","8","1","","Begum, I.; Schnakenburg, G.; Streubel, R.","Synthesis and reactions of C-phosphanylated thiazol-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2955","2962","10.1039/c5dt03662c","","","0.71073","MoKα","","0.0583","0.0425","","","0.0963","0.1047","","","","","","1.054","","","","has coordinates","177781","2020-10-21","18:00:00",""
"7037963","18.2029","0.0017","19.8978","0.0019","20.392","0.002","90","","90","","90","","7385.9","1.2","100","2","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 P Si4 Ta -","- C30 H48 N4 P Si4 Ta -","- C240 H384 N32 P8 Si32 Ta8 -","8","1","","Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J.","Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3013","3023","10.1039/c5dt04561d","","x-ray","0.71073","MoKα","","0.0382","0.0234","","","0.0448","0.0509","","","","","","1.074","","","","has coordinates","177783","2020-10-21","18:00:00",""
"7037968","8.009","0.002","15.97","0.004","22.139","0.006","90","","90","","90","","2831.7","1.3","150","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 B10 N O -","- C8 H15 B10 N O -","- C64 H120 B80 N8 O8 -","8","1","","Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Developing nitrosocarborane chemistry.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3635","3647","10.1039/c5dt04831a","","","0.71073","MoKα","","0.2405","0.1302","","","0.3038","0.3858","","","","","","1.105","","","","has coordinates,has disorder","177824","2020-10-21","18:00:00",""
"7037992","12.2617","0.0009","15.379","0.001","25.646","0.002","90","","90","","90","","4836.1","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cesium Fluoride complex of Vasarene [4]","","","- C26 H20 Cs F O9 -","- C26 H20 Cs F O9 -","- C208 H160 Cs8 F8 O72 -","8","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0269","0.0254","","","0.0635","0.0644","","","","","","1.072","","","","has coordinates,has disorder","185445","2020-10-21","18:00:00",""
"7037993","12.194","0.001","15.536","0.002","25.299","0.002","90","","90","","90","","4792.8","0.8","295","1","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Rubidium Fluoride complex of Vasarene [4]","","","- C26 H14 F O9 Rb -","- C26 H14 F O9 Rb -","- C208 H112 F8 O72 Rb8 -","8","1","","Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.","Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8734","8739","10.1039/c5dt04171f","","","0.71073","MoKα","","0.0902","0.0626","","","0.165","0.1775","","","","","","1.054","","","","has coordinates","185445","2020-10-21","18:00:00",""
"7038051","15.8964","0.0013","21.1004","0.0017","33.285","0.003","90","","90","","90","","11164.5","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 Cl2 N P2 Zr -","- C23 H41 Cl2 N P2 Zr -","- C368 H656 Cl32 N16 P32 Zr16 -","16","2","","Simler, Thomas; Frison, Gilles; Braunstein, Pierre; Danopoulos, Andreas A.","Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2800","2804","10.1039/c6dt00144k","","","0.71073","MoKα","","0.1509","0.087","","","0.1267","0.1408","","","","","","1.195","","","","has coordinates","177782","2020-10-21","18:00:00",""
"7038067","19.2091","0.0007","9.3046","0.0003","30.9426","0.0011","90","","90","","90","","5530.5","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 N2 O2 Se2 -","- C26 H36 N2 O2 Se2 -","- C208 H288 N16 O16 Se16 -","8","1","","Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit","Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","4030","4040","10.1039/c5dt04356e","","x-ray","0.71073","MoKα","","0.0856","0.0452","","","0.0909","0.1053","","","","","","1.041","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7038129","16.53716","0.00005","19.78721","0.00007","20.54069","0.00009","90","","90","","90","","6721.41","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H49 N2 P Zr -","- C38 H49 N2 P Zr -","- C304 H392 N16 P8 Zr8 -","8","1","","Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.","Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type ""molecular claw"".","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3528","3540","10.1039/c5dt04911c","","x-ray","1.54184","CuKα","","0.0241","0.0228","","","0.0555","0.0562","","","","","","1.076","","","","has coordinates","177848","2020-10-21","18:00:00",""
"7038185","18.4957","0.0002","18.0877","0.0001","19.1324","0.0002","90","","90","","90","","6400.64","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H35 I3 N7 Rh -","- C27 H35 I3 N7 Rh -","- C216 H280 I24 N56 Rh8 -","8","1","","Farrell, Kevin; Melle, Philipp; Gossage, Robert A.; Müller-Bunz, Helge; Albrecht, Martin","Transfer hydrogenation with abnormal dicarbene rhodium(iii) complexes containing ancillary and modular poly-pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4570","4579","10.1039/c5dt04656d","","","0.71073","MoKα","","0.0328","0.0242","","","0.053","0.0581","","","","","","1.127","","","","has coordinates,has disorder","181701","2020-10-21","18:00:00",""
"7038188","7.804","0.0006","22.16","0.002","27.06","0.003","90","","90","","90","","4679.7","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Cd N3 O6 -","- C25 H25 Cd N3 O6 -","- C200 H200 Cd8 N24 O48 -","8","1","","Jiang, Peng Gang; Zhang, Pan; Gong, Yun; Lin, Jian Hua","Photocurrent-generating properties of bulk and few-layered Cd(ii) coordination polymers based on a rigid dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4603","4613","10.1039/c6dt00271d","","","0.71073","MoKα","","0.1682","0.0923","","","0.2187","0.266","","","","","","0.941","","","","has coordinates","181702","2020-10-21","18:00:00",""
"7038227","12.703","","9.444","","29.401","","90","","90","","90","","3527.15","","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cd O11 -","- C15 H16 Cd O11 -","- C120 H128 Cd8 O88 -","8","1","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.0614","0.0371","","","0.109","0.1318","","","","","","0.882","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7038251","15.9082","0.0005","14.5038","0.0003","25.3341","0.0009","90","","90","","90","","5845.3","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H40 N4 O2 P2 Rh2 -","- C24 H40 N4 O2 P2 Rh2 -","- C192 H320 N32 O16 P16 Rh16 -","8","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4771","4779","10.1039/c6dt00318d","","","0.71073","MoKα","","0.1534","0.1022","","","0.1914","0.213","","","","","","1.289","","","","has coordinates","181691","2020-10-21","18:00:00",""
"7038290","12.8079","0.0014","19.1932","0.0019","27.373","0.003","90","","90","","90","","6729","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine)-iron(ii) bis(tetrafluoroborate)","","- C30 H30 B2 F8 Fe N10 -","- C30 H30 B2 F8 Fe N10 -","- C240 H240 B16 F64 Fe8 N80 -","8","1","","Bushuev, Mark B.; Pishchur, Denis P.; Logvinenko, Vladimir A.; Gatilov, Yuri V.; Korolkov, Ilya V.; Shundrina, Inna K.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.","A mononuclear iron(ii) complex: cooperativity, kinetics and activation energy of the solvent-dependent spin transition.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","107","120","10.1039/c5dt03750f","","","0.71073","MoKα","","0.116","0.0653","","","0.1704","0.2179","","","","","","0.902","","","","has coordinates,has disorder","175854","2020-10-21","18:00:00",""
"7038320","10.5609","0.0002","15.9498","0.0003","36.5874","0.0006","90","","90","","90","","6162.94","0.19","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Br Co F6 O3 P3 Re -","- C25 H36 Br Co F6 O3 P3 Re -","- C200 H288 Br8 Co8 F48 O24 P24 Re8 -","8","1","","Furneaux, Aliza G.; Piro, Nicholas A.; Hernández Sánchez, Raúl; Gramigna, Kathryn M.; Fey, Natalie; Robinson, Michael J.; Kassel, W. Scott; Nataro, Chip","Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4819","4827","10.1039/c5dt04721h","","","0.71073","MoKα","","0.059","0.0457","","","0.089","0.0933","","","","","","1.209","","","","has coordinates","181700","2020-10-21","18:00:00",""
"7038408","15.407","0.003","15.984","0.003","18.826","0.003","90","","90","","90","","4636.2","1.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 N2 O2 Pt -","- C30 H23 N2 O2 Pt -","- C240 H184 N16 O16 Pt8 -","8","1","","Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T.","Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6834","6838","10.1039/c5dt05039a","","","0.71073","MoKα","","0.0558","0.0324","","","0.0714","0.0851","","","","","","1.043","","","","has coordinates","182709","2020-10-21","18:00:00",""
"7038411","15.645","0.011","8.386","0.005","29.6","0.02","90","","90","","90","","3883","4","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H20 I5 N2 Sb -","- C6 H20 I5 N2 Sb -","- C48 H160 I40 N16 Sb8 -","8","1","","Mao, Chen-Yu; Liao, Wei-Qiang; Wang, Zhong-Xia; Li, Peng-Fei; Lv, Xing-Hui; Ye, Heng-Yun; Zhang, Yi","Structural characterization, phase transition and switchable dielectric behaviors in a new zigzag chain organic-inorganic hybrid compound: [C3H7NH3]2SbI5.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5229","5233","10.1039/c5dt04939c","","","0.71073","MoKα","","0.0997","0.089","","","0.1959","0.2025","","","","","","1.106","","","","has coordinates","181655","2020-10-21","18:00:00",""
"7038442","18.2266","0.0007","17.8372","0.0007","19.0939","0.0008","90","","90","","90","","6207.6","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H58 N2 O19 P4 U2 -","- C58 H58 N2 O18.96 P4 U2 -","- C232 H232 N8 O75.84 P16 U8 -","4","0.5","","Matveeva, Anna G.; Vologzhanina, Anna V.; Goryunov, Evgenii I.; Aysin, Rinat R.; Pasechnik, Margarita P.; Matveev, Sergey V.; Godovikov, Ivan A.; Safiulina, Alfiya M.; Brel, Valery K.","Extraction and coordination studies of a carbonyl-phosphine oxide scorpionate ligand with uranyl and lanthanide(iii) nitrates: structural, spectroscopic and DFT characterization of the complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5162","5179","10.1039/c5dt04963f","","","0.71073","MoKα","","0.087","0.065","","","0.1463","0.1578","","","","","","1.042","","","","has coordinates,has disorder","181673","2020-10-21","18:00:00",""
"7038550","25.1599","0.0002","18.7874","0.0001","26.2494","0.0002","90","","90","","90","","12407.8","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H62 B2 F24 N P2 Rh -","- C56 H62 B2 F24 N P2 Rh -","- C448 H496 B16 F192 N8 P16 Rh8 -","8","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0478","0.0393","","","0.1141","0.1216","","","","","","0.787","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038554","25.3462","0.0003","18.3643","0.0002","25.7382","0.0003","90","","90","","90","","11980.2","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H60 B2 F24 N P2 Rh -","- C55 H60 B2 F24 N P2 Rh -","- C440 H480 B16 F192 N8 P16 Rh8 -","8","1","","Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.","Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6183","6195","10.1039/c6dt00197a","","","1.54178","CuKα","","0.0636","0.0549","","","0.1531","0.1666","","","","","","0.841","","","","has coordinates,has disorder","181720","2020-10-21","18:00:00",""
"7038628","24.389","0.004","15.102","0.003","32.963","0.006","90","","90","","90","","12141","4","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Ag2 Cl4 F12 P2 Sb2 -","- C50 H66 Ag2 Cl4 F12 P2 Sb2 -","- C400 H528 Ag16 Cl32 F96 P16 Sb16 -","8","1","","Grirrane, A.; Álvarez, E; Albero, J.; García, H; Corma, A.","Multinuclear silver(i) XPhos complexes with cyclooctatetraene: photochemical C-C bond cleavage of acetonitrile and cyanide bridged Ag cluster formation.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5444","5450","10.1039/c6dt00370b","","","0.71073","MoKα","","0.117","0.0738","","","0.221","0.2574","","","","","","1.102","","","","has coordinates,has disorder","181627","2020-10-21","18:00:00",""
"7038643","20.6085","0.0009","22.0874","0.0009","22.0874","0.0009","90","","90","","90","","10053.9","0.7","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C120 H102 N6 Ni2 O P6 Ti2 -","- C120 H102 N6 Ni2 O P6 Ti2 -","- C480 H408 N24 Ni8 O4 P24 Ti8 -","4","0.5","","Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.","Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9892","9901","10.1039/c6dt00431h","","","1.54178","CuKα","","0.0597","0.0523","","","0.1384","0.1462","","","","","","1.037","","","","has coordinates,has disorder","185386","2020-10-21","18:00:00",""
"7038660","10.3579","0.0002","8.72054","0.00014","36.8998","0.0007","90","","90","","90","","3333.03","0.1","183","1","183","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 F3 Fe N3 O -","- C17 H16 F3 Fe N3 O -","- C136 H128 F24 Fe8 N24 O8 -","8","1","","Rubbiani, R.; Blacque, O.; Gasser, G.","Sedaxicenes: potential new antifungal ferrocene-based agents?","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6619","6626","10.1039/c5dt04231c","","","0.71073","MoKα","","0.0453","0.038","","","0.0885","0.0929","","","","","","1.086","","","","has coordinates","182704","2020-10-21","18:00:00",""
"7038764","14.324","0.0017","21.707","0.002","16.2613","0.0018","90","","90","","90","","5056.1","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H30 Cd N2 O13 P2 -","- C17 H30 Cd N2 O13 P2 -","- C136 H240 Cd8 N16 O104 P16 -","8","1","","Hou, Xiaomin; Tang, Si-Fu","Speciation of metal phosphonates with the assistance of weak interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7349","7359","10.1039/c6dt00643d","","","0.71073","MoKα","","0.1308","0.0458","","","0.0975","0.1175","","","","","","0.885","","","","has coordinates","182737","2020-10-21","18:00:00",""
"7038812","19.302","0.002","10.5836","0.0011","19.7267","0.0019","90","","90","","90","","4029.9","0.7","88","","88","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 F12 O10 Ru2 -","- C34 H36 F12 O10 Ru2 -","- C136 H144 F48 O40 Ru8 -","4","0.5","","Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi","trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7427","7434","10.1039/c6dt00569a","","","0.7107","MoKα","","0.0359","0.0333","","","0.0804","0.0827","","","","","","1.127","","","","has coordinates","182752","2020-10-21","18:00:00",""
"7038819","12.2509","0.0007","7.8383","0.0004","39.829","0.002","90","","90","","90","","3824.6","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bbf1","","","- C25 H17 B F2 N2 -","- C25 H17 B F2 N2 -","- C200 H136 B8 F16 N16 -","8","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.0685","0.0488","","","0.1122","0.1215","","","","","","1.043","","","","has coordinates","182678","2020-10-21","18:00:00",""
"7038971","14.7962","0.0003","11.8141","0.0002","27.4404","0.0005","90","","90","","90","","4796.69","0.15","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cl O P5 -","- C20 H36 Cl O P5 -","- C160 H288 Cl8 O8 P40 -","8","1","","Keller, I. C.; Bauer, W.; Heinemann, F. W.; Höhn, C; Rohwer, L.; Zenneck, U.","Optically active P5-deltacyclenes: selective oxidation, ligand properties, and a diastereoselective rearrangement reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7267","7277","10.1039/c6dt00548a","","","0.71073","MoKα","","0.0387","0.0301","","","0.0767","0.0821","","","","","","1.068","","","","has coordinates","182740","2020-10-21","18:00:00",""
"7038995","13.9576","0.0003","13.0301","0.0003","29.3579","0.0009","90","","90","","90","","5339.3","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O10 P3 W2 -","- C20 H13 O10 P3 W2 -","- C160 H104 O80 P24 W16 -","8","1","","Hao, Yanwei; Zhang, Chunli; Mei, Yanbo; Tian, Rongqiang; Duan, Zheng; Mathey, François","The chemistry of parent phosphiranide in the coordination sphere of tungsten.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8284","8290","10.1039/c6dt00964f","","","0.71073","MoKα","","0.0537","0.0371","","","0.073","0.0784","","","","","","1.183","","","","has coordinates","185537","2020-10-21","18:00:00",""
"7039020","16.0516","0.0004","24.7557","0.0006","25.955","0.0007","90","","90","","90","","10313.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H75 Cl2 Ge P Sn -","- C54 H75 Cl2 Ge P Sn -","- C432 H600 Cl16 Ge8 P8 Sn8 -","8","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.0496","0.0308","","","0.0606","0.0663","","","","","","1.042","","","","has coordinates","185533","2020-10-21","18:00:00",""
"7039021","16.0688","0.0004","24.647","0.0006","26.0868","0.0006","90","","90","","90","","10331.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H75 Cl2 P Sn2 -","- C54 H75 Cl2 P Sn2 -","- C432 H600 Cl16 P8 Sn16 -","8","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.03","0.0226","","","0.0454","0.0481","","","","","","1.047","","","","has coordinates","185533","2020-10-21","18:00:00",""
"7039024","14.7617","0.0003","24.9093","0.0005","29.069","0.0006","90","","90","","90","","10688.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Cl2 P Sn -","- C60 H75 Cl2 P Sn -","- C480 H600 Cl16 P8 Sn8 -","8","1","","Krebs, K. M.; Maudrich, J.-J.; Wesemann, L.","Reaction of stannylene phosphorus Lewis pairs with dichlorides of germanium, tin and lead - the formation of base stabilized stannyl stannylenes/germylenes and redox reaction with PbCl2.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8081","8088","10.1039/c6dt00916f","","","0.71073","MoKα","","0.052","0.036","","","0.0782","0.0858","","","","","","1.033","","","","has coordinates","185533","2020-10-21","18:00:00",""
"7039032","11.579","0.002","15.339","0.003","26.53","0.005","90","","90","","90","","4712","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 I P Te -","- C26 H24 I P Te -","- C208 H192 I8 P8 Te8 -","8","1","","Yadav, Sangeeta; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Selone-stabilized aryltellurenyl cations.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8458","8467","10.1039/c6dt01081d","","","0.71073","MoKα","","0.0249","0.0223","","","0.0678","0.0863","","","","","","1.295","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7039071","10.3956","0.001","9.5385","0.0009","19.5358","0.0019","90","","90","","90","","1937.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H6 As F6 N -","- C7 H6 As F6 N -","- C56 H48 As8 F48 N8 -","8","1","","Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O.","Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8494","8499","10.1039/c6dt01301e","","","0.71073","MoKα","","0.0966","0.0606","","","0.1092","0.1187","","","","","","1.123","","","","has coordinates,has disorder","185431","2020-10-21","18:00:00",""
"7039096","10.8832","0.0006","11.057","0.0005","29.4458","0.0015","90","","90","","90","","3543.4","0.3","150","2","149.95","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 Cl5 P -","- C18 H10 Cl5 P -","- C144 H80 Cl40 P8 -","8","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0593","0.0297","","","0.0574","0.063","","","","","","0.8411","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039097","11.285","0.0004","10.8896","0.0004","30.4034","0.0011","90","","90","","90","","3736.2","0.2","150","2","150.03","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H10 Cl5 F2 P -","- C18 H10 Cl5 F2 P -","- C144 H80 Cl40 F16 P8 -","8","1","","Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.","Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14651","14657","10.1039/c6dt01339b","","","0.71073","MoKα","","0.0334","0.0255","","","0.0603","0.0654","","","","","","1.0658","","","","has coordinates","187133","2020-10-21","18:00:00",""
"7039115","21.607","0.004","6.255","0.0013","26.077","0.005","90","","90","","90","","3524.4","1.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cu N2 O5 -","- C18 H24 Cu N2 O5 -","- C144 H192 Cu8 N16 O40 -","8","1","","Lian, Wen-Jing; Wang, Xin-Tian; Xie, Cheng-Zhi; Tian, He; Song, Xue-Qing; Pan, He-Ting; Qiao, Xin; Xu, Jing-Yuan","Mixed-ligand copper(ii) Schiff base complexes: the role of the co-ligand in DNA binding, DNA cleavage, protein binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9073","9087","10.1039/c6dt00461j","","","0.71073","MoKα","","0.0636","0.0562","","","0.1241","0.1284","","","","","","1.143","","","","has coordinates","185312","2020-10-21","18:00:00",""
"7039251","18.1495","0.0015","22.5027","0.0019","23.189","0.002","90","","90","","90","","9470.7","1.4","123","","123","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C75 H70 Cl14 F12 Ir2 N8 O8 P2 S4 -","- C75 H70 Cl14 F12 Ir2 N8 O8 P2 S4 -","- C300 H280 Cl56 F48 Ir8 N32 O32 P8 S16 -","4","0.5","","Ertl, Cathrin D.; Gil-Escrig, Lidón; Cerdá, Jesús; Pertegás, Antonio; Bolink, Henk J.; Junquera-Hernández, José M; Prescimone, Alessandro; Neuburger, Markus; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)](+) complexes: its influence on photophysical properties and LEC performance.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11668","11681","10.1039/c6dt01325b","","","0.71073","MoKα","","0.0871","0.0524","","0.1539","0.126","0.1526","","","","","","1.0026","","","","has coordinates,has disorder","185472","2020-10-21","18:00:00",""
"7039262","15.0238","0.0016","11.6122","0.001","20.9195","0.0019","90","","90","","90","","3649.6","0.6","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H14 Cl3 N6 O P S3 -","- C9 H12 Cl3 N6 O P S3 -","- C72 H96 Cl24 N48 O8 P8 S24 -","8","1","","Zablocka, Maria; Oshovsky, Gennady; Duhayon, Carine; Ladeira, Sonia; Caminade, Anne-Marie; Mignani, Serge; Majoral, Jean-Pierre","Thiazoyl phosphines. Design, reactivity, and complexation.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9695","9703","10.1039/c6dt01106c","","","0.7107","MoKα","","0.0951","0.0583","","0.0933","0.0697","0.0697","","","","","","1.1163","","","","has coordinates","185511","2020-10-21","18:00:00",""
"7039371","16.309","0.003","12.871","0.003","23.68","0.005","90","","90","","90","","4970.7","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Cl2 N5 Ni O9 -","- C23 H19 Cl2 N5 Ni O9 -","- C184 H152 Cl16 N40 Ni8 O72 -","8","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.1068","0.0535","","","0.1124","0.1319","","","","","","1.037","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039373","17.018","0.003","12.7","0.003","23.847","0.005","90","","90","","90","","5154","1.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Cd Cl2 N5 O9 -","- C23 H19 Cd Cl2 N5 O9 -","- C184 H152 Cd8 Cl16 N40 O72 -","8","1","","Knight, James C.; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha; Ward, Benjamin D.","Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10630","10642","10.1039/c6dt01165a","","","0.71073","MoKα","","0.0664","0.0412","","","0.0943","0.1048","","","","","","1.032","","","","has coordinates,has disorder","185353","2020-10-21","18:00:00",""
"7039400","17.3586","0.0005","16.9214","0.0005","23.4188","0.0007","90","","90","","90","","6878.8","0.4","90","2","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Br Fe N2 P -","- C35 H54 Br Fe N2 P -","- C280 H432 Br8 Fe8 N16 P8 -","8","1","","Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.","Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14697","14708","10.1039/c6dt01673a","","x-ray","0.71073","MoKα","","0.0814","0.0528","","","0.1149","0.1265","","","","","","1.037","","","","has coordinates","187143","2020-10-21","18:00:00",""
"7039422","21.192","0.0016","18.2269","0.0012","21.3088","0.0016","90","","90","","90","","8230.8","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H66 Li N2 O2 Ta -","- C42 H66 Li N2 O2 Ta -","- C336 H528 Li8 N16 O16 Ta8 -","8","1","","Janes, Trevor; Xu, Maotong; Song, Datong","Synthesis and reactivity of Li and TaMe3 complexes supported by N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamido ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10672","10680","10.1039/c6dt01908k","","","0.71073","MoKα","","0.0647","0.0318","","","0.0797","0.116","","","","","","1.15","","","","has coordinates,has disorder","185342","2020-10-21","18:00:00",""
"7039481","15.4355","0.0001","16.3463","0.0001","23.5226","0.0002","90","","90","","90","","5935.07","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H36 B F4 N6 Rh -","- C31 H36 B F4 N6 Rh -","- C248 H288 B8 F32 N48 Rh8 -","8","1","","Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin","Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15859","15871","10.1039/c6dt01760f","","","0.71073","MoKα","","0.0298","0.0246","","","0.0616","0.065","","","","","","1.029","","","","has coordinates","188216","2020-10-21","18:00:00",""
"7039484","12.5048","0.0002","16.5248","0.0003","21.1589","0.0004","90","","90","","90","","4372.26","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cr O8 -","- C22 H18 Cr O8 -","- C176 H144 Cr8 O64 -","8","1","","García-Rodríguez, Jaime; González, Jairo; Santamaría, Javier; Suárez-Sobrino, Ángel L; Rodríguez, Miguel A","Higher-order cyclization reactions of alkenyl Fischer carbene complexes: a new selective all-carbon [8 + 2] cyclization with 8-methoxyheptafulvene and computational mechanistic analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11353","11361","10.1039/c6dt01465h","","","0.71073","MoKα","","0.0702","0.0514","","","0.1449","0.1776","","","","","","1.156","","","","has coordinates","185500","2020-10-21","18:00:00",""
"7039539","14.8988","0.0004","16.8722","0.0005","36.5541","0.0011","90","","90","","90","","9188.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H69 Al N2 O -","- C53 H69 Al N2 O -","- C424 H552 Al8 N16 O8 -","8","1","","Moskalev, M. V.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.","Unexpected reactivity of an alkylaluminum complex of a non-innocent 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene ligand (dpp-bian).","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15872","15878","10.1039/c6dt01750a","","","0.71073","MoKα","","0.0846","0.0456","","","0.1015","0.1119","","","","","","1.003","","","","has coordinates","188206","2020-10-21","18:00:00",""
"7039619","11.1419","0.0004","14.4501","0.0006","27.7442","0.0012","90","","90","","90","","4466.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Fe N2 O2 P2 -","- C20 H34 Fe N2 O2 P2 -","- C160 H272 Fe8 N16 O16 P16 -","8","1","","Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste","Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11101","11108","10.1039/c6dt01149g","","x-ray","0.71073","MoKα","","0.0783","0.0523","","","0.1138","0.1282","","","","","","1.024","","","","has coordinates,has disorder","185406","2020-10-21","18:00:00",""
"7039647","11.0031","0.001","22.283","0.002","28.239","0.003","90","","90","","90","","6923.7","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Complex 3","Complex 3","","- C39 H38 B N7 Ni -","- C39 H38 B N7 Ni -","- C312 H304 B8 N56 Ni8 -","8","1","","Abubekerov, Mark; Eymann, Léonard Y M; Gianetti, Thomas L.; Arnold, John","Activation of heteroallenes by coordinatively unsaturated nickel(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methyl)pyrazolyl borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14581","14590","10.1039/c6dt01585a","","","0.71073","MoKα","","0.0331","0.028","","","0.0778","0.0835","","","","","","0.824","","","","has coordinates","187144","2020-10-21","18:00:00",""
"7039667","9.369","0.003","21.885","0.006","33.532","0.009","90","","90","","90","","6875","3","93.15","","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C130 H230 B4 Cl4 Ir4 N8 P8 -","- C130 H230 B4 Cl4 Ir4 N8 P8 -","- C260 H460 B8 Cl8 Ir8 N16 P16 -","2","0.25","","Kwan, Enrique Huang; Kawai, Yasushi Jack; Kamakura, Sei; Yamashita, Makoto","A long-tethered (P-B-P)-pincer ligand: synthesis, complexation, and application to catalytic dehydrogenation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15931","15941","10.1039/c6dt02075e","","","0.71075","MoKα","","0.0611","0.0501","","","0.0889","0.0928","","","","","","1.184","","","","has coordinates,has disorder","188205","2020-10-21","18:00:00",""
"7039718","21.425","0.004","20.113","0.004","21.502","0.004","90","","90","","90","","9266","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H72 Li N4 O Pr -","- C48 H72 Li N4 O Pr -","- C384 H576 Li8 N32 O8 Pr8 -","8","1","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0515","0.0355","","","0.079","0.0839","","","","","","1.014","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039859","19.6119","0.0004","27.1456","0.0005","37.5545","0.0008","90","","90","","90","","19993.1","0.7","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C80.5 H103.5 Co5 N4.5 Na O29 S3.5 Si10 -","- C80.5 H103.5 Co5 N4.5 Na O29 S3.5 Si10 -","- C644 H828 Co40 N36 Na8 O232 S28 Si80 -","8","1","","Bilyachenko, A. N.; Yalymov, A. I.; Levitsky, M. M.; Korlyukov, A. A.; Es'kova, M. A.; Long, J.; Larionova, J.; Guari, Y.; Shul'pina, L. S.; Ikonnikov, N. S.; Trigub, A. L.; Zubavichus, Y. V.; Golub, I. E.; Shubina, E. S.; Shul'pin, G. B.","First cage-like pentanuclear Co(ii)-silsesquioxane.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13663","13666","10.1039/c6dt02026g","","","1.54178","CuKα","","0.1694","0.0986","","","0.219","0.2655","","","","","","1.044","","","","has coordinates,has disorder","186375","2020-10-21","18:00:00",""
"7039904","12.9744","0.0006","17.1766","0.0007","34.6304","0.0013","90","","90","","90","","7717.6","0.6","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","UO2(Salophen)tBu","","","- C36.5 H50 N2 O5.5 U -","- C36 H48 N2 O5 U -","- C288 H384 N16 O40 U8 -","8","1","","Herasymchuk, Khrystyna; Chiang, Linus; Hayes, Cassandra E.; Brown, Matthew L.; Ovens, Jeffrey S.; Patrick, Brian O.; Leznoff, Daniel B.; Storr, Tim","Synthesis and electronic structure determination of uranium(vi) ligand radical complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12576","12586","10.1039/c6dt02089e","","x-ray","1.54178","CuKα","","0.0774","0.0681","","","0.1896","0.1937","","","","","","0.993","","","","has coordinates","185461","2020-10-21","18:00:00",""
"7039918","19.0061","0.0003","21.5469","0.0005","21.4927","0.0005","90","","90","","90","","8801.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H43 Cu I O4 P3 Si -","- C46 H43 Cu I O4 P3 Si -","- C368 H344 Cu8 I8 O32 P24 Si8 -","8","1","","Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault","Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14774","14788","10.1039/c6dt02135b","","","0.71073","MoKα","","0.0487","0.0349","","","0.0927","0.0977","","","","","","1.059","","","","has coordinates","187137","2020-10-21","18:00:00",""
"7039960","12.0993","0.0002","13.5151","0.0002","28.9842","0.0004","90","","90","","90","","4739.59","0.12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aqua-(perchlorato-O)(2,6-bis(2-pyridylmethoxymethyl)pyridine-N,N',N'',O,O') cadmium(ii) perchlorate","","- C19 H21 Cd Cl2 N3 O11 -","- C19 H21 Cd Cl2 N3 O11 -","- C152 H168 Cd8 Cl16 N24 O88 -","8","1","","Tice, Daniel B.; Pike, Robert D.; Bebout, Deborah C.","Contrasting coordination behavior of Group 12 perchlorate salts with an acyclic N3O2 donor ligand by X-ray crystallography and (1)H NMR.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12871","12883","10.1039/c6dt02322c","","","1.54178","CuKα","","0.0239","0.0221","","","0.053","0.0538","","","","","","1.087","","","","has coordinates","186427","2020-10-21","18:00:00",""
"7040066","17.812","0.005","17.474","0.005","23.717","0.005","90","","90","","90","","7382","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(BDI)CpClNb(NtBu)","","","- C38 H55 Cl N3 Nb -","- C38 H55 Cl N3 Nb -","- C304 H440 Cl8 N24 Nb8 -","8","1","","Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John","Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12661","12668","10.1039/c6dt02373h","","","0.71073","MoKα","","0.0448","0.0405","","","0.0994","0.1016","","","","","","1.146","","","","has coordinates","186445","2020-10-21","18:00:00",""
"7040188","27.5171","0.0011","27.7084","0.001","31.0222","0.0012","90","","90","","90","","23653","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C116 H96 Cl10 N6 Ni6 O27.29 -","- C115.998 H93.996 Cl9.996 N6 Ni6 O27.29 -","- C927.984 H751.968 Cl79.968 N48 Ni48 O218.32 -","8","1","","Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C.","Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10256","10270","10.1039/c6dt01162d","","","0.7749","synchrotron","","0.1065","0.0803","","","0.1958","0.219","","","","","","1.073","","","","has coordinates,has disorder","185059","2020-10-21","18:00:00",""
"7040196","15.8429","0.0004","16.3266","0.0005","38.8855","0.0013","90","","90","","90","","10058.2","0.5","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(MePPh2)2[Fe(NO)2]","(MePPh2)2[Fe(NO)2]","","- C26 H26 Fe N2 O2 P2 -","- C26 H26 Fe N2 O2 P2 -","- C416 H416 Fe16 N32 O32 P32 -","16","2","","Wittkamp, F.; Nagel, C.; Lauterjung, P.; Mallick, B.; Schatzschneider, U.; Apfel, U.-P.","Phosphine-ligated dinitrosyl iron complexes for redox-controlled NO release.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10271","10279","10.1039/c6dt01209d","","","0.71073","MoKα","","0.0593","0.0433","","","0.0932","0.0998","","","","","","1.141","","","","has coordinates","185061","2020-10-21","18:00:00",""
"7040223","17.0537","0.0017","6.496","0.0006","25.224","0.003","90","","90","","90","","2794.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4,5-dioxo-naphtho[1,2-d][1,2,3]dithiazol-2-ium triflate","","- C11 H4 F3 N O5 S3 -","- C11 H4 F3 N O5 S3 -","- C88 H32 F24 N8 O40 S24 -","8","1","","Smithson, Chad S.; MacDonald, Daniel J.; Matt Letvenuk, T.; Carello, Christian E.; Jennings, Michael; Lough, Alan J.; Britten, James; Decken, Andreas; Preuss, Kathryn E.","A 1,2,3-dithiazolyl-o-naphthoquinone: a neutral radical with isolable cation and anion oxidation states.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9608","9620","10.1039/c6dt01249c","","","0.71073","MoKα","","0.0577","0.0341","","","0.0694","0.0782","","","","","","1.018","","","","has coordinates","185071","2020-10-21","18:00:00",""
"7040240","13.2982","0.0003","16.9219","0.0004","32.2817","0.0007","90","","90","","90","","7264.4","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C39 H31 N4 O P Pd S2 Sn -","- C39 H31 N4 O P Pd S2 Sn -","- C312 H248 N32 O8 P8 Pd8 S16 Sn8 -","8","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0334","0.0237","","","0.0476","0.0502","","","","","","1.05","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040241","14.8803","0.0004","16.4815","0.0004","24.0587","0.0007","90","","90","","90","","5900.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H16 N4 Ni2 S8 -","- C28 H16 N4 Ni2 S8 -","- C224 H128 N32 Ni16 S64 -","8","1","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0604","0.0364","","","0.082","0.0883","","","","","","1.011","","","","has coordinates","187113","2020-10-21","18:00:00",""
"7040249","16.4638","0.0004","22.8991","0.0005","17.3745","0.0006","90","","90","","90","","6550.3","0.3","150","2","150","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C61 H62 Cl4 N4 O4 P2 Pd2 S4 Sn2 -","- C61 H62 Cl4 N4 O4 P2 Pd2 S4 Sn2 -","- C244 H248 Cl16 N16 O16 P8 Pd8 S16 Sn8 -","4","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.0527","0.0344","","","0.0724","0.0779","","","","","","1.05","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7040258","9.0076","0.0006","16.6072","0.0012","18.0267","0.0011","90","","90","","90","","2696.6","0.3","114","2","114","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 F12 Mn N2 O10 -","- C16 H24 F12 Mn N2 O10 -","- C64 H96 F48 Mn4 N8 O40 -","4","0.5","","Naeem, Rabia; Ali Ehsan, Muhammad; Yahya, Rosiyah; Sohail, Manzar; Khaledi, Hamid; Mazhar, Muhammad","Fabrication of pristine Mn2O3 and Ag-Mn2O3 composite thin films by AACVD for photoelectrochemical water splitting.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14928","14939","10.1039/c6dt02656g","","","0.71073","MoKα","","0.0538","0.0458","","","0.1153","0.1211","","","","","","1.108","","","","has coordinates,has disorder","187078","2020-10-21","18:00:00",""
"7040289","11.8779","0.0002","15.2518","0.0003","38.9205","0.0008","90","","90","","90","","7050.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 6","","- C35 H56 B2 Mg N4 -","- C35 H56 B2 Mg N4 -","- C280 H448 B16 Mg8 N32 -","8","1","","Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.","The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13969","13978","10.1039/c6dt03185d","","","0.71073","MoKα","","0.131","0.0662","","","0.1315","0.157","","","","","","1.015","","","","has coordinates","186392","2020-10-21","18:00:00",""
"7040292","18.6055","0.0004","19.4729","0.0004","22.3867","0.0005","90","","90","","90","","8110.8","0.3","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Compound 13","","- C43 H68 B Mg N3 -","- C43 H68 B Mg N3 -","- C344 H544 B8 Mg8 N24 -","8","1","","Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F.","The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13969","13978","10.1039/c6dt03185d","","","0.71073","MoKα","","0.0714","0.0433","","","0.0989","0.1135","","","","","","1.017","","","","has coordinates,has disorder","186392","2020-10-21","18:00:00",""
"7040355","13.949","0.004","16.578","0.004","25.764","0.009","90","","90","","90","","5958","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl3 N7 O9 Re -","- C22 H21 Cl3 N7 O9 Re -","- C176 H168 Cl24 N56 O72 Re8 -","8","1","","Jiménez-Pulido, Sonia B; Illán-Cabeza, Nuria A; Hueso-Ureña, Francisco; Maldonado, Carmen R.; Sánchez-Sánchez, Purificación; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","A combined experimental and DFT investigation on the structure and CO-releasing properties of mono and binuclear fac-Re(I)(CO)3 complexes with 5-pyridin-2-ylmethylene-amino uracils.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15142","15154","10.1039/c6dt02208a","","x-ray","0.71073","MoKα","","0.1054","0.0704","","","0.1867","0.2076","","","","","","1.163","","","","has coordinates,has disorder","188122","2020-10-21","18:00:00",""
"7040589","14.0661","0.0019","17.902","0.002","28.165","0.004","90","","90","","90","","7092.3","1.6","100","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H48 Cl2 N2 O P Ru -","- C35 H48 Cl2 N2 O P Ru -","- C280 H384 Cl16 N16 O8 P8 Ru8 -","8","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","0.71073","MoKα","","0.2365","0.0748","","","0.1332","0.1887","","","","","","0.954","","","","has coordinates","186302","2020-10-21","18:00:00",""
"7040639","19.17","0.02","19.61","0.03","20.3","0.03","90","","90","","90","","7631","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H58 N2 Si2 U -","- C35 H58 N2 Si2 U -","- C280 H464 N16 Si16 U8 -","8","1","","Zhang, Lei; Fang, Bo; Hou, Guohua; Ai, Lin; Ding, Wanjian; Walter, Marc D.; Zi, Guofu","Intrinsic reactivity of a uranium metallacyclopropene toward unsaturated organic molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16441","16452","10.1039/c6dt03005j","","","0.71073","MoKα","","0.0823","0.0434","","","0.0925","0.1067","","","","","","1.001","","","","has coordinates","188166","2020-10-21","18:00:00",""
"7040711","7.1001","0.0006","41.434","0.003","11.4739","0.0007","90","","90","","90","","3375.5","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H12 B F2 N5 O0 S -","- C19 H12 B F2 N5 S -","- C152 H96 B8 F16 N40 S8 -","8","1","","Wang, Xiaoqing; Liu, Qingsong; Qi, Fen; Li, Lin; Yu, Hai-Dong; Liu, Zhipeng; Huang, Wei","Benzothiazole-pyrimidine-based BODIPY analogues: promising luminophores with fluorescence sensing and imaging ability and asymmetrization-induced solid-state emission.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17274","17280","10.1039/c6dt03469a","","","1.54184","CuKα","","0.1622","0.0975","","","0.2071","0.2418","","","","","","1.104","","","","has coordinates","188172","2020-10-21","18:00:00",""
"7040714","10.102","0.002","19.058","0.004","31.626","0.006","90","","90","","90","","6089","2","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N -","- C37 H39 N -","- C296 H312 N8 -","8","1","","Bakkar, A.; Cobo, S.; Lafolet, F.; Boggio-Pasqua, M; Royal, G.; Saint Aman, E.","Self-assembled dimethyldihydropyrene-pyridyl substituted ligands with zinc(ii) meso-tetraphenylporphyrin via axial coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","41","16453","16462","10.1039/c6dt02975b","","x-ray","0.71073","MoKα","","0.1126","0.0751","","","0.1597","0.1818","","","","","","1.137","","","","has coordinates,has disorder","188146","2020-10-21","18:00:00",""
"7040745","11.7851","0.0006","14.3274","0.0007","41.473","0.002","90","","90","","90","","7002.7","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl5 Ir N3 P -","- C33 H36 Cl5 Ir N3 P -","- C264 H288 Cl40 Ir8 N24 P8 -","8","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Álvarez, Eleuterio; Paneque, Margarita; Rendón, Nuria; Suárez, Andrés","Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16997","17009","10.1039/c6dt03652j","","","0.71073","MoKα","","0.0731","0.0711","","","0.1647","0.1653","","","","","","1.409","","","","has coordinates,has disorder","188238","2020-10-21","18:00:00",""
"7040757","10.856","0.0007","15.7756","0.0008","33.3846","0.0007","90","","90","","90","","5717.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(2,2'-bipyridine)-bis-(2-phenylpyridine)-iridium(III)] hexafluorophosphate","","- C32 H24 F6 Ir N4 P -","- C32 H24 F6 Ir N4 P -","- C256 H192 F48 Ir8 N32 P8 -","8","1","","Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J.","Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17807","17823","10.1039/c6dt03415b","","","1.54184","CuKα","","0.0314","0.0247","","","0.0589","0.0628","","","","","","1.054","","","","has coordinates","190195","2020-10-21","18:00:00",""
"7040778","20.6306","0.0014","23.3947","0.0016","26.1819","0.0017","90","","90","","90","","12636.6","1.5","118","2","118","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H80 Cl2 Cu N12 O9 -","- C55 H80 Cl2 Cu N12 O9 -","- C440 H640 Cl16 Cu8 N96 O72 -","8","1","","Sommer, Michael G.; Rechkemmer, Yvonne; Suntrup, Lisa; Hohloch, Stephan; van der Meer, Margarethe; van Slageren, Joris; Sarkar, Biprajit","Structural snapshots in the copper(ii) induced azide-nitrile cycloaddition: effects of peripheral ligand substituents on the formation of unsupported μ1,1-azido vs.μ1,4-tetrazolato bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17770","17781","10.1039/c6dt03073d","","","0.71073","MoKα","","0.0775","0.0544","","","0.1318","0.1464","","","","","","0.991","","","","has coordinates,has disorder","190169","2020-10-21","18:00:00",""
"7040802","14.361","0.003","6.5596","0.0015","15.048","0.003","90","","90","","90","","1417.6","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N7 O3 -","- C2 H3 Cu N7 O3 -","- C16 H24 Cu8 N56 O24 -","8","1","","Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17304","17311","10.1039/c6dt03631g","","","0.71073","MoKα","","0.068","0.0383","","","0.0794","0.0924","","","","","","1.02","","","","has coordinates,has disorder","188186","2020-10-21","18:00:00",""
"7040847","9.1347","0.0003","11.3629","0.0004","18.5528","0.0006","90","","90","","90","","1925.72","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cl N2 O -","- C9 H11 Cl N2 O -","- C72 H88 Cl8 N16 O8 -","8","1","","Bhattacharjee, Jayeeta; Das, Suman; Kottalanka, Ravi K.; Panda, Tarun K.","Hydroamination of carbodiimides, isocyanates, and isothiocyanates by a bis(phosphinoselenoic amide) supported titanium(iv) complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17824","17832","10.1039/c6dt03063g","","","1.54184","CuKα","","0.0584","0.048","","","0.1203","0.1291","","","","","","1.049","","","","has coordinates","190180","2020-10-21","18:00:00",""
"7040860","13.269","0.005","17.848","0.004","28.167","0.009","90","","90","","90","","6671","4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28.5 H32 Cl3 N10 O5.5 Zn -","- C28.5 H29 Cl3 N10 O5.5 Zn -","- C228 H232 Cl24 N80 O44 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","x-ray","0.71073","MoKα","","0.1267","0.0688","","","0.1684","0.2034","","","","","","1.02","","","","has coordinates,has disorder","190181","2020-10-21","18:00:00",""
"7040861","13.226","0.0012","17.912","0.003","28.272","0.003","90","","90","","90","","6697.8","1.5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Br2 Cl2 N10 O4 Zn -","- C29 H30 Br2 Cl2 N10 O4 Zn -","- C232 H240 Br16 Cl16 N80 O32 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0863","0.0527","","","0.1063","0.1196","","","","","","1.042","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040862","13.5741","0.0011","18.296","0.003","28.833","0.005","90","","90","","90","","7160.7","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32.5 I2 N11.5 O4 Zn -","- C31 H32.5 I2 N11.5 O4 Zn -","- C248 H260 I16 N92 O32 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N","Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17896","17909","10.1039/c6dt03583c","","","0.71073","MoKα","","0.0856","0.0524","","","0.1244","0.1404","","","","","","1.058","","","","has coordinates","190181","2020-10-21","18:00:00",""
"7040943","16.7129","0.0005","7.7974","0.0002","31.1102","0.0008","90","","90","","90","","4054.19","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[RuCOD(PDPCl)]","","- C22 H20 Cl3 N3 Ru -","- C22 H20 Cl3 N3 Ru -","- C176 H160 Cl24 N24 Ru8 -","8","1","","Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi","Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18113","18119","10.1039/c6dt03464k","","","0.71073","MoKα","","0.0489","0.04","","","0.101","0.1071","","","","","","1.019","","","","has coordinates","190154","2020-10-21","18:00:00",""
"7041030","22.269","0.007","7.4606","0.0018","26.014","0.008","90","","90","","90","","4322","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25.25 H22.75 Dy N4.25 O3.25 -","- C25.25 H22.75 Dy N4.25 O3.25 -","- C202 H182 Dy8 N34 O26 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.0883","0.049","","","0.0622","0.0713","","","","","","1.012","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041034","22.386","0.009","7.523","0.003","26.158","0.011","90","","90","","90","","4405","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25.25 H22.75 N4.25 O3.25 Tb -","- C25.25 H22.75 N4.25 O3.25 Tb -","- C202 H182 N34 O26 Tb8 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.1517","0.073","","","0.082","0.0995","","","","","","1.045","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041035","22.387","0.008","7.56","0.003","26.153","0.005","90","","90","","90","","4426","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25.25 H22.75 Gd N4.25 O3.25 -","- C25.25 H22.75 Gd N4.25 O3.25 -","- C202 H182 Gd8 N34 O26 -","8","1","","Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J.","Building 1D lanthanide chains and non-symmetrical [Ln2] ""triple-decker"" clusters using salen-type ligands: magnetic cooling and relaxation phenomena.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18591","18602","10.1039/c6dt02932a","","","0.71073","MoKα","","0.2338","0.1073","","","0.1514","0.1948","","","","","","1.044","","","","has coordinates,has disorder","190108","2020-10-21","18:00:00",""
"7041065","13.4","0.0002","13.881","0.0002","17.5344","0.0003","90","","90","","90","","3261.49","0.09","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Mn N4 O10 -","- C10 H24 Mn N4 O10 -","- C80 H192 Mn8 N32 O80 -","8","1","","Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark","Rational serendipity: ""undirected"" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18094","18097","10.1039/c6dt03914f","","","0.71073","MoKα","","0.0345","0.0271","","","0.0683","0.0713","","","","","","1.047","","","","has coordinates","190160","2020-10-21","18:00:00",""
"7041067","12.5047","0.0008","26.2009","0.0018","41.444","0.003","90","","90","","90","","13578.5","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H83 B Ce K N12 O7 -","- C71 H83 B Ce K N12 O7 -","- C568 H664 B8 Ce8 K8 N96 O56 -","8","1","","Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R.","Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18653","18660","10.1039/c6dt03884k","","","0.71073","MoKα","","0.1222","0.0628","","","0.1437","0.1738","","","","","","1.004","","","","has coordinates","190112","2020-10-21","18:00:00",""
"7041081","15.264","0.0003","12.0177","0.0003","15.8499","0.0005","90","","90","","90","","2907.48","0.13","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(cyclopentadienyl)hafnium(cloro)(tert-butoxide)","","- C14 H19 Cl Hf O -","- C14 H19 Cl Hf O -","- C112 H152 Cl8 Hf8 O8 -","8","1","","Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.","Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18635","18642","10.1039/c6dt03199d","","x-ray","0.71073","MoKα","","0.032","0.0243","","","0.0478","0.0509","","","","","","1.042","","","","has coordinates","190120","2020-10-21","18:00:00",""
"7041196","10.8656","0.0004","7.8537","0.0003","18.202","0.0006","90","","90","","90","","1553.27","0.1","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N4 O2 Pt -","- C16 H18 N4 O2 Pt -","- C64 H72 N16 O8 Pt4 -","4","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.0236","0.0198","","","0.0485","0.0503","","","","","","1.186","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041198","12.3758","","8.613","","16.9067","","90","","90","","90","","1802.13","","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N4 O2 Pt -","- C18 H22 N4 O2 Pt -","- C72 H88 N16 O8 Pt4 -","4","0.5","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.087","0.0646","","","0.1833","0.2098","","","","","","1.253","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041209","17.664","0.004","21.948","0.004","26.612","0.005","90","","90","","90","","10317","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H80 Cl P Si -","- C57 H80 Cl P Si -","- C456 H640 Cl8 P8 Si8 -","8","1","","Dhara, Debabrata; Mandal, Debdeep; Maiti, Avijit; Yildiz, Cem B.; Kalita, Pankaj; Chrysochos, Nicolas; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Assembly of NHC-stabilized 2-hydrophosphasilenes from Si(iv) precursors: a Lewis acid-base complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19290","19298","10.1039/c6dt04321f","","","0.71073","MoKα","","0.0788","0.0405","","","0.0895","0.1041","","","","","","0.785","","","","has coordinates","190124","2020-10-21","18:00:00",""
"7041272","14.8815","0.0009","18.387","0.0011","22.3395","0.0013","90","","90","","90","","6112.7","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 Ir N5 -","- C38 H22 F4 Ir N5 -","- C304 H176 F32 Ir8 N40 -","8","1","","Gong, Dan-Ping; Gao, Tai-Bao; Cao, Deng-Ke; Ward, Michael D.","Cyclometalated Ir(iii) complexes containing quinoline-benzimidazole-based N^N ancillary ligands: structural and luminescence modulation by varying the substituent groups or the protonation/deprotonation state of imidazole units.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","275","286","10.1039/c6dt04091h","","","0.71073","MoKα","","0.0493","0.0258","","","0.06","0.0692","","","","","","1.092","","","","has coordinates","191672","2020-10-21","18:00:00",""
"7041307","10.8339","0.0006","14.1089","0.0007","27.7507","0.0014","90","","90","","90","","4241.8","0.4","100","","99.99","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Br2 Mg O5 Si2 -","- C12 H28 Br2 Mg O5 Si2 -","- C96 H224 Br16 Mg8 O40 Si16 -","8","1","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0522","0.0322","","","0.051","0.0553","","","","","","1.023","","","","has coordinates","188799","2020-10-21","18:00:00",""
"7041331","8.01","0.0002","11.3652","0.0003","32.3906","0.0008","90","","90","","90","","2948.69","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N O3 P -","- C15 H20 N O3 P -","- C120 H160 N8 O24 P8 -","8","1","","Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.","2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","125","137","10.1039/c6dt03983a","","","0.71073","MoKα","","0.0337","0.0294","","","0.0736","0.0764","","","","","","1.032","","","","has coordinates","191681","2020-10-21","18:00:00",""
"7041400","10.404","0.0004","11.3367","0.0004","16.7032","0.0006","90","","90","","90","","1970.09","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Hexamethylenetetramine Boranocarboxylic acid","'1-boranocaboxylic acid-3,5,7-Triaza-1-azoniatricyclo[3.3.1.1(3,7)]decane'","","- C7 H14 B N4 O2 -","- C7 H15 B N4 O2 -","- C56 H120 B8 N32 O16 -","8","1","","Ayudhya, T. I.; Raymond, C. C.; Dingra, N. N.","Hexamethylenetetramine carboxyborane: synthesis, structural characterization and CO releasing properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","882","889","10.1039/c6dt03856e","","","1.54178","CuKα","","0.0404","0.0352","","","0.092","0.0966","","","","","","1.071","","","","has coordinates","191629","2020-10-21","18:00:00",""
"7041422","8.0897","0.0002","21.1818","0.0005","22.1298","0.0004","90","","90","","90","","3792.04","0.15","123","2","123","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 B10 I -","- C15 H21 B10 I -","- C120 H168 B80 I8 -","8","1","","Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F.; Pérez-Inestrosa, E; Montenegro, J. M.; Sillanpää, R; Haukka, M.; Núñez, R","Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2091","2104","10.1039/c6dt04003a","","x-ray","0.71073","MoKα","","0.0294","0.0226","","","0.0491","0.0516","","","","","","1.046","","","","has coordinates","193820","2020-10-21","18:00:00",""
"7041486","15.065","0.0006","16.6481","0.0006","29.4529","0.001","90","","90","","90","","7386.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H49 Cl N4 Ni2 -","- C39 H49 Cl N4 Ni2 -","- C312 H392 Cl8 N32 Ni16 -","8","1","","Behlen, Michael J.; Zhou, You-Yun; Steiman, Talia J.; Pal, Sudipta; Hartline, Douglas R.; Zeller, Matthias; Uyeda, Christopher","Dinuclear oxidative addition reactions using an isostructural series of Ni2, Co2, and Fe2 complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5493","5497","10.1039/c6dt04465d","","","1.54178","CuKα","","0.1088","0.0575","","","0.1208","0.1509","","","","","","1.065","","","","has coordinates","196404","2020-10-21","18:00:00",""
"7041495","9.758","0.003","18.451","0.005","42.443","0.011","90","","90","","90","","7642","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 N4 O6 Ru -","- C40 H47 N4 O6 Ru -","- C320 H376 N32 O48 Ru8 -","8","1","","Lu, Zhongkai; Gao, Yan; Chen, Hu; Liu, Zhao; Sun, Licheng","Water oxidation catalyzed by a charge-neutral mononuclear ruthenium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1304","1310","10.1039/c6dt04160d","","","0.71073","MoKα","","0.1888","0.0785","","","0.1434","0.1838","","","","","","1.026","","","","has coordinates","191618","2020-10-21","18:00:00",""
"7041559","16.17","0.003","17.167","0.003","24.094","0.004","90","","90","","90","","6688","2","98","","98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H43 Co N O12 P3 Ru -","- C25 H43 Co N O12 P3 Ru -","- C200 H344 Co8 N8 O96 P24 Ru8 -","8","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1186","1193","10.1039/c6dt04717c","","","0.71075","MoKα","","0.0497","0.0432","","","0.1091","0.1138","","","","","","1.047","","","","has coordinates","191614","2020-10-21","18:00:00",""
"7041602","14.6041","0.0014","10.2207","0.0014","17.0281","0.0014","90","","90","","90","","2541.7","0.5","102.65","0.1","102.65","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Cl2 N2 Pt -","- C14 H10 Cl2 N2 Pt -","- C112 H80 Cl16 N16 Pt8 -","8","1","","Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas","Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1467","1480","10.1039/c6dt04035g","","x-ray","0.71073","MoKα","","0.0604","0.0456","","","0.1066","0.1159","","","","","","1.006","","","","has coordinates","191653","2020-10-21","18:00:00",""
"7041611","18.053","0.003","9.2454","0.0013","19.716","0.003","90","","90","","90","","3290.7","0.9","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Tussing, Sebastian; Ohland, Miriam; Wicker, Garrit; Flörke, Ulrich; Paradies, Jan","Borane-catalyzed indole synthesis through intramolecular hydroamination.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1539","1545","10.1039/c6dt04725d","","","0.71073","MoKα","","0.0757","0.0463","","","0.0882","0.1003","","","","","","1.044","","","","has coordinates","191657","2020-10-21","18:00:00",""
"7041641","16.6121","0.0015","15.106","0.0014","26.457","0.002","90","","90","","90","","6639.2","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H31 Co N3 O11 -","- C34 H31 Co N3 O11 -","- C272 H248 Co8 N24 O88 -","8","1","","Ma, Ranran; Chen, Zhiwei; Cao, Fan; Wang, Suna; Huang, Xianqiang; Li, Yunwu; Lu, Jing; Li, Dacheng; Dou, Jianmin","Two 2-D multifunctional cobalt(ii) compounds: field-induced single-ion magnetism and catalytic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2137","2145","10.1039/c6dt04551k","","","0.71073","MoKα","","0.1136","0.0694","","","0.1885","0.215","","","","","","1.047","","","","has coordinates","193819","2020-10-21","18:00:00",""
"7041650","14.123","0.001","15.558","0.001","19","0.002","90","","90","","90","","4174.8","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dichloro(perfluorophenyl(2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)- phenyl)borate","","- C21 H23 B Cl2 F5 N -","- C21 H23 B Cl2 F5 N -","- C168 H184 B8 Cl16 F40 N8 -","8","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0567","0.0405","","","0.0811","0.0867","","","","","","1.079","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041795","19.5245","0.0011","17.5596","0.0011","44.352","0.003","90","","90","","90","","15205.7","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C65 H72 B20 N2 P4 Pd S2 -","- C65 H72 B20 N2 P4 Pd S2 -","- C520 H576 B160 N16 P32 Pd8 S16 -","8","1","","Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio","Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2572","2593","10.1039/c6dt04592h","","","0.71073","MoKα","","0.1311","0.0641","","","0.1283","0.1519","","","","","","1.011","","","","has coordinates","193788","2020-10-21","18:00:00",""
"7041855","16.234","0.002","17.579","0.003","21.88","0.003","90","","90","","90","","6244.1","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F3 N2 O3 S Te -","- C29 H39 F3 N2 O3 S Te -","- C232 H312 F24 N16 O24 S8 Te8 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.0997","0.0511","","","0.0887","0.1037","","","","","","1.056","","","","has coordinates","195064","2020-10-21","18:00:00",""
"7041856","15.9377","0.0014","17.313","0.0013","21.9697","0.0018","90","","90","","90","","6062.1","0.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F3 N2 O3 S2 -","- C29 H39 F3 N2 O3 S2 -","- C232 H312 F24 N16 O24 S16 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.1334","0.0537","","","0.1365","0.1767","","","","","","0.971","","","","has coordinates,has disorder","195064","2020-10-21","18:00:00",""
"7041857","16.143","0.0016","17.3306","0.0017","21.714","0.002","90","","90","","90","","6074.9","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F3 N2 O3 S Se -","- C29 H39 F3 N2 O3 S Se -","- C232 H312 F24 N16 O24 S8 Se8 -","8","1","","Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.","N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3095","3099","10.1039/c7dt00186j","","","0.71073","MoKα","","0.065","0.0412","","","0.0954","0.1057","","","","","","1.023","","","","has coordinates,has disorder","195064","2020-10-21","18:00:00",""
"7041978","12.6068","0.0004","14.4727","0.0004","27.5824","0.0008","90","","90","","90","","5032.5","0.3","100","","100","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C20 H33 F6 Fe N2 Ni O P S2 -","- C20 H33 F6 Fe N2 Ni O P S2 -","- C160 H264 F48 Fe8 N16 Ni8 O8 P8 S16 -","8","1","","Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5617","5624","10.1039/c6dt04666e","","","1.54178","CuKα","","0.0738","0.0638","","","0.1507","0.1583","","","","","","1.041","","","","has coordinates,has disorder","196390","2020-10-21","18:00:00",""
"7041996","11.2602","0.0006","11.054","0.0005","23.4337","0.0011","90","","90","","90","","2916.8","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3-Bis(trimethylsilyloxy)pyrazine","","- C10 H20 N2 O2 Si2 -","- C10 H20 N2 O2 Si2 -","- C80 H160 N16 O16 Si16 -","8","1","","Finger, Lars H.; Venker, Alexander; Schröder, Fabian G; Sundermeyer, Jörg","New lithium borates with bistetrazolato(2-) and pyrazinediolato(2-) ligands - potentially interesting lithium electrolyte additives.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3014","3024","10.1039/c7dt00308k","","","0.71073","MoKα","","0.0339","0.0271","","","0.0702","0.0727","","","","","","1.037","","","","has coordinates","193849","2020-10-21","18:00:00",""
"7042023","12.6563","0.0008","17.5897","0.001","20.3134","0.0012","90","","90","","90","","4522.2","0.5","172.3","","172.3","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H39 B11 N2 O -","- C14 H39 B11 N2 O -","- C112 H312 B88 N16 O8 -","8","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.0865","0.0581","","","0.1438","0.1609","","","","","","1.041","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042028","12.7414","0.0007","18.7111","0.0014","20.5954","0.0013","90","","90","","90","","4910.1","0.6","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H38 B11 Br N2 O -","- C14 H38 B11 Br N2 O -","- C112 H304 B88 Br8 N16 O8 -","8","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.092","0.0557","","","0.1397","0.1632","","","","","","1.027","","","","has coordinates","195066","2020-10-21","18:00:00",""
"7042029","10.5179","0.0011","17.071","0.002","27.284","0.003","90","","90","","90","","4898.9","0.9","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H38 B11 Cl N2 O -","- C14 H38 B11 Cl N2 O -","- C112 H304 B88 Cl8 N16 O8 -","8","1","","Shen, Yunjun; Pan, Yani; Zhang, Kang; Liang, Xuewei; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","B-H functionalization of the monocarba-closo-dodecaborate anion by rhodium and iridium catalysis.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3135","3140","10.1039/c7dt00269f","","","0.71073","MoKα","","0.2063","0.137","","","0.385","0.4423","","","","","","1.399","","","","has coordinates,has disorder","195066","2020-10-21","18:00:00",""
"7042101","11.782","0.0004","14.9666","0.0006","28.1505","0.0015","90","","90","","90","","4964","0.4","134.3","0.8","134.3","0.8","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Au Cl F12 N4 P2 -","- C20 H14 Au Cl F12 N4 P2 -","- C160 H112 Au8 Cl8 F96 N32 P16 -","8","1","","Czerwińska, K; Golec, M.; Skonieczna, M.; Palion-Gazda, J; Zygadło, D; Szlapa-Kula, A; Krompiec, S.; Machura, B.; Szurko, A.","Cytotoxic gold(iii) complexes incorporating a 2,2':6',2''-terpyridine ligand framework - the impact of the substituent in the 4'-position of a terpy ring.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3381","3392","10.1039/c6dt04584g","","","0.71073","MoKα","","0.0629","0.0528","","","0.1133","0.1165","","","","","","1.098","","","","has coordinates","195065","2020-10-21","18:00:00",""
"7042108","9.7475","0.0003","10.2186","0.0004","40.1933","0.0011","90","","90","","90","","4003.5","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H22 P2 -","- C25 H22 P2 -","- C200 H176 P16 -","8","1","","Varga, F.; Rajnák, C; Titiš, J; Moncoľ, J; Boča, R","Slow magnetic relaxation in a Co(ii) octahedral-tetrahedral system formed of a [CoL3](2+) core with L = bis(diphenylphosphanoxido) methane and tetrahedral [CoBr4](2-) counter anions.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4148","4151","10.1039/c7dt00376e","","","1.54186","CuKα","","0.0412","0.0295","","","0.072","0.0741","","","","","","0.905","","","","has coordinates","195085","2020-10-21","18:00:00",""
"7042186","12.004","0.0005","15.3488","0.0007","24.3776","0.0011","90","","90","","90","","4491.5","0.3","172","2","172","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N4 Pt -","- C28 H20 N4 Pt -","- C224 H160 N32 Pt8 -","8","1","","Hebenbrock, Marian; Stegemann, Linda; Kösters, Jutta; Doltsinis, Nikos L.; Müller, Jens; Strassert, Cristian A.","Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3160","3169","10.1039/c7dt00393e","","","0.71073","MoKα","","0.0241","0.0191","","","0.0442","0.0465","","","","","","1.071","","","","has coordinates","195058","2020-10-21","18:00:00",""
"7042242","16.3066","0.0009","9.8567","0.0006","25.2093","0.0014","90","","90","","90","","4051.9","0.4","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 B N6 Pd -","- C18 H31 B N6 Pd -","- C144 H248 B8 N48 Pd8 -","8","1","","Daryanavard, Marzieh; Armstrong, David; Lough, Alan J.; Fekl, Ulrich","The first palladium(iv) aryldiazenido complex: relevance for C-C coupling.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4004","4008","10.1039/c7dt00078b","","","0.71073","MoKα","","0.0354","0.0271","","","0.0585","0.0621","","","","","","1.067","","","","has coordinates","195123","2020-10-21","18:00:00",""
"7042261","14.4729","0.0005","17.2445","0.0006","32.0382","0.0009","90","","90","","90","","7996","0.5","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O2 Si2 -","- C38 H70 Mg2 N2 O2 Si2 -","- C304 H560 Mg16 N16 O16 Si16 -","8","1","","Bradley, Mark A.; Birchall, Chris; Blake, Alexander J.; Lewis, William; Moxey, Graeme J.; Kays, Deborah L.","1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","4101","4110","10.1039/c7dt00471k","","x-ray","1.54184","CuKα","","0.0463","0.0428","","","0.1171","0.1211","","","","","","1.037","","","","has coordinates,has disorder","195128","2020-10-21","18:00:00",""
"7042296","16.7886","0.0016","16.6604","0.0015","27.55","0.002","90","","90","","90","","7705.9","1.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H30 F7 N O3 P2 S -","- C33 H30 F7 N O3 P2 S -","- C264 H240 F56 N8 O24 P16 S8 -","8","1","","Szkop, Kevin M.; Stephan, Douglas W.","Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3921","3928","10.1039/c7dt00441a","","","0.71073","MoKα","","0.1026","0.063","","","0.1467","0.1665","","","","","","1.035","","","","has coordinates","195136","2020-10-21","18:00:00",""
"7042309","20.9517","0.0002","21.134","0.0002","22.1261","0.0001","90","","90","","90","","9797.29","0.14","200","","200","","","","","","","","Research School of Chemistry","9","P b c a","-P 2ac 2ab","61","","","","- C42 H51 B Cl6 N6 O2 P Rh W -","- C42 H51 B Cl6 N6 O2 P Rh W -","- C336 H408 B8 Cl48 N48 O16 P8 Rh8 W8 -","8","1","","Colebatch, Annie L.; Hill, Anthony F.","Coordination chemistry of phosphinocarbynes: phosphorus vs. carbyne site selectivity.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4355","4365","10.1039/c6dt04770j","","","0.71073","MoKα","","0.0549","0.0403","","0.1063","0.095","0.1063","","","","","","0.9458","","","","has coordinates","195081","2020-10-21","18:00:00",""
"7042349","14.9248","0.0019","19.983","0.003","21.437","0.003","90","","90","","90","","6393.4","1.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H31 Cl N O3 P Pt S -","- C38 H31 Cl N O3 P Pt S -","- C304 H248 Cl8 N8 O24 P8 Pt8 S8 -","8","1","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0234","0.0184","","","0.0429","0.0453","","","","","","1.083","","","","has coordinates","195125","2020-10-21","18:00:00",""
"7042351","15.7792","0.0003","24.0043","0.0005","39.2309","0.0009","90","","90","","90","","14859.4","0.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cl F9 N P Pt S -","- C38 H22 Cl F9 N P Pt S -","- C608 H352 Cl16 F144 N16 P16 Pt16 S16 -","16","2","","Solomatina, Anastasia I.; Aleksandrova, Irina O.; Karttunen, Antti J.; Tunik, Sergey P.; Koshevoy, Igor O.","Dibenzothiophene-platinated complexes: probing the effect of ancillary ligands on the photophysical performance.","Dalton transactions (Cambridge, England : 2003)","2017","46","12","3895","3905","10.1039/c7dt00349h","","","0.71073","MoKα","","0.0527","0.0318","","","0.0581","0.063","","","","","","1.015","","","","has coordinates,has disorder","195125","2020-10-21","18:00:00",""
"7042359","10.438","0.0013","17.711","0.002","27.475","0.003","90","","90","","90","","5079.2","1","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7.25 H27.5 Au B20 Cl3.5 P -","- C6 H25 Au B20 Cl P -","- C48 H200 Au8 B160 Cl8 P8 -","8","1","","Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J.","Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5218","5228","10.1039/c7dt00485k","","","0.71073","MoKα","","0.0476","0.0297","","","0.0585","0.0622","","","","","","1.02","","","","has coordinates","196425","2020-10-21","18:00:00",""
"7042378","19.052","0.0003","16.367","0.0008","23.821","0.0004","90","","90","","90","","7428","0.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H38 F6 Ir N O5 P2 S4 -","- C31 H38 F6 Ir N O5 P2 S4 -","- C248 H304 F48 Ir8 N8 O40 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Bi, David W.","Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4346","4354","10.1039/c7dt00563f","","","0.7107","MoKα","","0.0316","0.0263","","","0.0581","0.0609","","","","","","1.062","","","","has coordinates","195083","2020-10-21","18:00:00",""
"7042384","12.2754","0.0004","18.8021","0.0006","18.9382","0.0006","90","","90","","90","","4371","0.2","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl2 F10 N3 O Re -","- C18 H11 Cl2 F10 N3 O Re -","- C144 H88 Cl16 F80 N24 O8 Re8 -","8","1","","Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.","Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4609","4616","10.1039/c7dt00271h","","","0.71073","MoKα","","0.0663","0.0323","","","0.0609","0.0703","","","","","","1.021","","","","has coordinates","196448","2020-10-21","18:00:00",""
"7042495","18.812","0.002","20.016","0.003","20.045","0.003","90","","90","","90","","7547.8","1.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 Cl N3 O Pd -","- C40 H46 Cl N3 O Pd -","- C320 H368 Cl8 N24 O8 Pd8 -","8","1","","Yang, Jin","Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC-palladacycles derived from arylimines.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5003","5007","10.1039/c7dt00007c","","","0.71073","MoKα","","0.0501","0.0339","","","0.0829","0.0975","","","","","","1.032","","","","has coordinates","196463","2020-10-21","18:00:00",""
"7042499","6.2136","0.0003","10.9858","0.0006","16.9609","0.0008","90","","90","","90","","1157.77","0.1","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate","disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate","","- C2 H4 N12 Na2 O6 -","- C2 H4 N12 Na2 O6 -","- C8 H16 N48 Na8 O24 -","4","0.5","","Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5033","5040","10.1039/c7dt00536a","","x-ray","0.71069","MoKα","","0.03","0.0277","","","0.0776","0.0791","","","","","","1.091","","","","has coordinates","196459","2020-10-21","18:00:00",""
"7042512","11.5758","0.0006","14.1553","0.0007","18.2251","0.0009","90","","90","","90","","2986.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl N O3 Si -","- C14 H18 Cl N O3 Si -","- C112 H144 Cl8 N8 O24 Si8 -","8","1","","Sztorch, Bogna; Frąckowiak, Dawid; Pyziak, Jadwiga; Czapik, Agnieszka; Hoffmann, Marcin; Marciniec, Bogdan","Highly selective synthesis of substituted (E)-alkenylsilatranes via catalytic trans-silylation and mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4975","4981","10.1039/c7dt00201g","","","0.71073","MoKα","","0.0645","0.0439","","","0.087","0.0953","","","","","","1.062","","","","has coordinates","196468","2020-10-21","18:00:00",""
"7042513","11.4618","0.0003","14.174","0.0004","18.5112","0.0005","90","","90","","90","","3007.32","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N O3 Si -","- C15 H21 N O3 Si -","- C120 H168 N8 O24 Si8 -","8","1","","Sztorch, Bogna; Frąckowiak, Dawid; Pyziak, Jadwiga; Czapik, Agnieszka; Hoffmann, Marcin; Marciniec, Bogdan","Highly selective synthesis of substituted (E)-alkenylsilatranes via catalytic trans-silylation and mechanistic implications.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","4975","4981","10.1039/c7dt00201g","","","0.71073","MoKα","","0.0618","0.0416","","","0.0977","0.1087","","","","","","1.041","","","","has coordinates","196468","2020-10-21","18:00:00",""
"7042535","9.7279","0.0002","23.6223","0.0003","27.0822","0.0003","90","","90","","90","","6223.36","0.17","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N4 O6 U -","- C34 H32 N4 O6 U -","- C272 H256 N32 O48 U8 -","8","1","","Valkonen, Arto; Lombardo, Giuseppe M.; Rissanen, Kari; Punzo, Francesco; Cametti, Massimo","X-Ray crystallographic and computational study on uranyl-salophen complexes bearing nitro groups.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5240","5249","10.1039/c6dt04773d","","","0.71073","MoKα","","0.0543","0.0368","","","0.0649","0.0699","","","","","","1.071","","","","has coordinates,has disorder","196426","2020-10-21","18:00:00",""
"7042601","16.3718","0.0005","7.9713","0.0003","30.9027","0.0012","90","","90","","90","","4032.9","0.3","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 Dy2 O27.5 -","- C30 H40 Dy2 O27.5 -","- C120 H160 Dy8 O110 -","4","0.5","","Boča, R; Stolárová, M; Falvello, L. R.; Tomás, M; Titiš, J; Černák, J","Slow magnetic relaxations in a ladder-type Dy(iii) complex and its dinuclear analogue.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5344","5351","10.1039/c7dt00069c","","x-ray","0.71073","MoKα","","0.0584","0.0387","","","0.0762","0.0822","","","","","","1.129","","","","has coordinates,has disorder","196421","2020-10-21","18:00:00",""
"7042607","14.9525","0.0003","15.1818","0.0003","27.7558","0.0005","90","","90","","90","","6300.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H34 Cu N4 O2 -","- C37 H34 Cu N4 O2 -","- C296 H272 Cu8 N32 O16 -","8","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","0.71073","MoKα","","0.0741","0.0544","","","0.1378","0.1524","","","","","","1.029","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042645","16.4721","0.0016","17.5103","0.0017","18.5492","0.0018","90","","90","","90","","5350.2","0.9","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C26 H31 F3 N Ni O3 P S -","- C26 H31 F3 N Ni O3 P S -","- C208 H248 F24 N8 Ni8 O24 P8 S8 -","8","1","","Tafazolian, Hosein; Yoxtheimer, Robert; Thakuri, Rajendr S.; Schmidt, Joseph A. R.","Selective hydrosilylation of alkynes and ketones: contrasting reactivity between cationic 3-iminophosphine palladium and nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5431","5440","10.1039/c7dt00832e","","","0.71073","MoKα","","0.0467","0.0325","","","0.0925","0.1051","","","","","","1.07","","","","has coordinates","196428","2020-10-21","18:00:00",""
"7042713","17.691","0.002","20.439","0.003","17.778","0.002","90","","90","","90","","6428.3","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H44 B I N4 O2 Zn -","- C31 H44 B I N4 O2 Zn -","- C248 H352 B8 I8 N32 O16 Zn8 -","8","1","","Okuda, Jun; Mukherjee, Debabarata; Spaniol, Thomas Paul; Wiegand, Ann-Kristin","Zinc hydridotriphenylborates suppported by a neutral macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01094J","","","0.71073","MoKα","","0.0983","0.059","","","0.1458","0.1685","","","","","","1.017","","","","has coordinates,has disorder","195531","2020-10-21","18:00:00",""
"7042821","15.7369","0.0008","15.0095","0.0007","17.5758","0.0008","90","","90","","90","","4151.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H21 B Cl Fe Hg P -","- C22 H21 B Cl Fe Hg P -","- C176 H168 B8 Cl8 Fe8 Hg8 P8 -","8","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0256","0.022","","","0.0654","0.0667","","","","","","1.131","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042958","22.0408","0.0014","16.8646","0.0012","27.985","0.002","90","","90","","90","","10402.3","1.2","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H46 Cl2 F15 N5 Ni O -","- C55 H46 Cl2 F15 N5 Ni O -","- C440 H368 Cl16 F120 N40 Ni8 O8 -","8","1","","Sasano, Yoshifumi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Deprotonated meso-hydroxyporphyrin as a stable π-electronic anion: the building unit of ion-pairing assembly","Dalton Trans.","2017","","","","","10.1039/C7DT01635B","","","1.54187","CuKα","","0.058","0.0504","","","0.1414","0.1497","","","","","","1.032","","","","has coordinates,has disorder","196723","2020-10-21","18:00:00",""
"7043005","16.054","0.0004","7.7396","0.0002","33.1509","0.0008","90","","90","","90","","4119.05","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cr N O3 Pd -","- C26 H17 Cr N O3 Pd -","- C208 H136 Cr8 N8 O24 Pd8 -","8","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71073","MoKα","","0.0335","0.0247","","","0.0637","0.0756","","","","","","1.157","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043096","17.3554","0.0015","7.2747","0.0007","28.732","0.003","90","","90","","90","","3627.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cd O5 -","- C20 H14 Cd O5 -","- C160 H112 Cd8 O40 -","8","1","","Luo, Hai Qiang; Xin, Xiao Han; Zhang, Pan; Yan, Zhi Shuo; Zhou, Qingfeng; Gong, Yun; Lin, Jianhua","The Photocurrent Response in the Perovskite Device Based on Coordination Polymer: Structure, Topology, Band Gap and Matched Energy Level","Dalton Trans.","2017","","","","","10.1039/C7DT01161J","","","0.71073","MoKα","","0.0697","0.0434","","","0.0942","0.1025","","","","","","0.919","","","","has coordinates","196926","2020-10-21","18:00:00",""
"7043220","17.331","0.015","13.273","0.012","18.878","0.018","90","","90","","90","","4343","7","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mg N5 Si2 -","- C15 H39 Mg N5 Si2 -","- C120 H312 Mg8 N40 Si16 -","8","1","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0509","0.0394","","","0.0962","0.1046","","","","","","1.04","","","","has coordinates","197193","2020-10-21","18:00:00",""
"7043222","20.7047","0.0013","10.1712","0.0006","23.1159","0.0016","90","","90","","90","","4868","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl Cu F6 N2 O3 -","- C23 H21 Cl Cu F6 N2 O3 -","- C184 H168 Cl8 Cu8 F48 N16 O24 -","8","1","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","1.54184","CuKα","","0.1305","0.0696","","","0.2153","0.2866","","","","","","1.051","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043225","21.3336","0.0005","10.4005","0.0003","23.4451","0.0006","90","","90","","90","","5202","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H30 Cl Cu F3 N2 O3 -","- C26 H30 Cl Cu F3 N2 O3 -","- C208 H240 Cl8 Cu8 F24 N16 O24 -","8","1","","Zhan, Guangli; Zhong, Wei; Wei, Zhenhong; Liu, Zhenzhen; Liu, Xiaoming","The roles of the phenol groups and auxiliary ligand of copper(II) complexes with tetradentate ligands in aerobic oxidation of benzyl alcohol","Dalton Trans.","2017","","","","","10.1039/C7DT01716B","","","1.54184","CuKα","","0.075","0.0578","","","0.1792","0.2003","","","","","","1.045","","","","has coordinates","197195","2020-10-21","18:00:00",""
"7043231","15.5062","0.0009","11.8662","0.0007","19.0966","0.0011","90","","90","","90","","3513.8","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 Fe N6 Se3 Sn -","- C6 Fe N6 Se3 Sn -","- C48 Fe8 N48 Se24 Sn8 -","8","1","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0743","0.0517","","","0.129","0.1469","","","","","","1.042","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7043266","17.4437","0.0012","14.1394","0.001","29.0311","0.0019","90","","90","","90","","7160.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Ag2 Mg3 N10 O22 -","- C58 H78 Ag2 Mg3 N10 O22 -","- C232 H312 Ag8 Mg12 N40 O88 -","4","0.5","","Guo, Qianqian; Englert, Ulli","Neutral mixed-metal coordination polymers based on a ditopic acetylacetonate, Mg(II) and Ag(I): syntheses, characterization and solvent-dependent topologies","Dalton Trans.","2017","","","","","10.1039/C7DT01283G","","","0.71073","MoKα","","0.0607","0.0391","","","0.0871","0.0961","","","","","","1.027","","","","has coordinates,has disorder","197637","2020-10-21","18:00:00",""
"7043294","17.3668","0.0005","17.2508","0.0005","19.9883","0.0006","90","","90","","90","","5988.3","0.3","298","0.1","298","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Br3 N P2 Re -","- C29 H31 Br3 N P2 Re -","- C232 H248 Br24 N8 P16 Re8 -","8","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.71073","MoKα","","0.0714","0.0446","","","0.0993","0.1163","","","","","","1.055","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043407","10.3561","0.0002","19.21","0.0005","25.719","0.0006","90","","90","","90","","5116.6","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Au F4 P S -","- C26 H28 Au F4 P S -","- C208 H224 Au8 F32 P8 S8 -","8","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.0551","0.0322","","","0.0586","0.0658","","","","","","1.076","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043408","10.2791","0.0004","19.2381","0.0008","26.2618","0.001","90","","90","","90","","5193.3","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Au F5 P S -","- C26 H27 Au F5 P S -","- C208 H216 Au8 F40 P8 S8 -","8","1","","Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo","π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)","Dalton Trans.","2017","","","","","10.1039/C7DT00961E","","","0.71073","MoKα","","0.089","0.048","","","0.0795","0.0921","","","","","","1.077","","","","has coordinates","198107","2020-10-21","18:00:00",""
"7043449","11.6598","0.0003","16.1704","0.0006","20.9566","0.0006","90","","90","","90","","3951.2","0.2","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H9 Cl N3 O3 Re S3 -","- C18 H9 Cl N3 O3 Re S3 -","- C144 H72 Cl8 N24 O24 Re8 S24 -","8","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0449","0.0282","","","0.0577","0.0621","","","","","","1.026","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043460","14.0974","0.0005","8.6016","0.0003","23.255","0.0009","90","","90","","90","","2819.91","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 Zn2 -","- C32 H34 N2 O2 Zn2 -","- C128 H136 N8 O8 Zn8 -","4","0.5","","Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia","β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides","Dalton Trans.","2017","","","","","10.1039/C7DT01877K","","","0.71073","MoKα","","0.0363","0.027","","","0.0639","0.0678","","","","","","1.048","","","","has coordinates","198190","2020-10-21","18:00:00",""
"7043472","22.1556","0.0004","32.7297","0.0004","47.3405","0.0009","90","","90","","90","","34328.8","1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29.5 Cr F18 N8.5 P3 -","- C35 H29.5 Cr F18 N8.5 P3 -","- C1120 H944 Cr32 F576 N272 P96 -","32","4","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0963","0.0709","","","0.1972","0.2125","","","","","","1.347","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043491","21.5029","0.0015","19.1115","0.0014","27.069","0.002","90","","90","","90","","11124.1","1.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C100 H124 Mg2 N4 O14 -","- C100 H124 Mg2 N4 O14 -","- C400 H496 Mg8 N16 O56 -","4","0.5","","Reiner, Benjamin R.; Foxman, Bruce M.; Wade, Casey R.","Electrochemical and Structural Investigation of the Interactions between Naphthalene Diimides and Metal Cations","Dalton Trans.","2017","","","","","10.1039/C7DT02067H","","","0.71073","MoKα","","0.1471","0.0892","","0.2899","0.2307","0.2899","","","","","","0.9786","","","","has coordinates,has disorder","198228","2020-10-21","18:00:00",""
"7043505","15.301","0.0005","25.2965","0.0008","31.7134","0.0011","90","","90","","90","","12275","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H92 Br2 Cl2 N6 O2 -","- C54 H92 Br2 Cl2 N6 O2 -","- C432 H736 Br16 Cl16 N48 O16 -","8","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.2381","0.0593","","","0.1537","0.2327","","","","","","1.029","","","","has coordinates,has disorder","198302","2020-10-21","18:00:00",""
"7043586","21.8768","0.0013","18.2999","0.001","23.5924","0.0013","90","","90","","90","","9445.1","0.9","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F18 Gd N6 O10 -","- C38 H36 F18 Gd N6 O10 -","- C304 H288 F144 Gd8 N48 O80 -","8","1","","Sun, Juan; Yang, Meng; Sun, Zan; Fang, Xiufeng; Ma, Yue; Li, Licun","Unprecedented ferromagnetic Gd⋯nitronyl nitroxide coupling through hydrogen bonding bridge","Dalton Trans.","2017","","","","","10.1039/C7DT02232H","","","0.71073","MoKα","","0.0384","0.0337","","","0.0817","0.0848","","","","","","0.959","","","","has coordinates,has disorder","198660","2020-10-21","18:00:00",""
"7043642","10.969","0.003","12.522","0.003","20.839","0.006","90","","90","","90","","2862.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N6 O8 V2 -","- C26 H32 N6 O8 V2 -","- C104 H128 N24 O32 V8 -","4","0.5","","Biswas, Nirmalendu; Patra, Debashis; Mondal, Bipul; Bera, Sachinath; Acharyya, Swarnali; Biswas, Anup Kumar; Mukhopadhyay, Titas Kumar; Pal, Amrita; Drew, Michael G. B.; Ghosh, Tapas","Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [VIVO(β-diketonate)2] with 2-Aminobenzoylhydrazide in aerobic and anaerobic conditions. Valence delocalisation in mixed-valence VIV-O-VV species","Dalton Trans.","2017","","","","","10.1039/C7DT01776F","","","0.71073","MoKα","","0.0372","0.0319","","","0.0906","0.0938","","","","","","1.066","","","","has coordinates","198744","2020-10-21","18:00:00",""
"7043718","15.565","0.003","19.148","0.003","31.764","0.005","90","","90","","90","","9467","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Cl2 N7 O15 Zn -","- C42 H49 Cl2 N7 O15 Zn -","- C336 H392 Cl16 N56 O120 Zn8 -","8","1","","Ghosh, Pradyut; Santra, Saikat; Bej, Somnath; Nandi, Mandira; Mondal, Partha","Syntheses of metallo-pseudorotaxanes, rotaxane and post-synthetically functionalized rotaxane: a comprehensive spectroscopic study and dynamic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01364G","","","0.71073","MoKα","","0.0937","0.0643","","","0.1769","0.2001","","","","","","1.018","","","","has coordinates","198873","2020-10-21","18:00:00",""
"7043722","11.3755","0.0009","15.528","0.002","20.3832","0.0017","90","","90","","90","","3600.5","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H28 Fe O -","- C22 H28 Fe O -","- C176 H224 Fe8 O8 -","8","1","","Roemer, Max; Wild, Duncan Andrew; Skelton, Brian W.; Sobolev, Alexandre N.; Nealon, Gareth; Piggott, Matthew; Koutsantonis, George","Control over cyclisation sequences of 1,1’-bifunctional octamethylferrocenes to ferrocenophanes","Dalton Trans.","2017","","","","","10.1039/C7DT02037F","","x-ray","1.54178","CuKα","","0.0876","0.0629","","","0.1628","0.1854","","","","","","1.049","","","","has coordinates","198875","2020-10-21","18:00:00",""
"7043789","10.556","0.003","18.209","0.006","20.193","0.006","90","","90","","90","","3881","2","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Br2 N4 Ni2 O8 S2 -","- C28 H46 Br2 N4 Ni2 O8 S2 -","- C112 H184 Br8 N16 Ni8 O32 S8 -","4","0.5","","Dasgupta, Sanchari; Adhikary, Jaydeep; Giri, Sanjib; Bauza, Antonio; Frontera, Antonio; Das, Debasis","Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00733g","","","0.71073","MoKα","","0.0676","0.0423","","","0.0935","0.1053","","","","","","1.0105","","","","has coordinates","199025","2020-10-21","18:00:00",""
"7043808","16.933","0.0003","12.54583","0.00016","22.63","0.0003","90","","90","","90","","4807.48","0.12","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C192 H224 N32 O48 -","8","1","","Lavaud, Lucien; Chen, Zhongrui; Elhabiri, Mourad; Jacquemin, Denis; Canard, Gabriel; Siri, Olivier","Di- vs. tetra-substituted quinonediimines: a drastic effect on coordination chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01884C","","x-ray","1.54184","CuKα","","0.045","0.0376","","","0.1032","0.1087","","","","","","1.048","","","","has coordinates","199032","2020-10-21","18:00:00",""
"7043820","22.24","0.004","23.915","0.005","24.189","0.005","90","","90","","90","","12865","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","CubpyIL","","- C22 H37 Cu N4 O12 P3 -","- C22 H37 Cu N4 O12 P3 -","- C352 H592 Cu16 N64 O192 P48 -","16","2","","Chen, Wenqian; Ogiwara, Naoki; Kadota, Kentaro; Panyarat, Kitt; Kitagawa, Susumu; Horike, Satoshi","Imidazolium cation transportation in a 1-D coordination polymer","Dalton Trans.","2017","","","","","10.1039/C7DT02625K","","","0.71073","MoKα","","0.1441","0.0959","","","0.2488","0.2843","","","","","","1.127","","","","has coordinates,has disorder","199333","2020-10-21","18:00:00",""
"7043821","22.221","0.004","23.702","0.005","23.882","0.005","90","","90","","90","","12578","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","CubpyIL","","- C22 H37 Cu N4 O12 P3 -","- C22 H37 Cu N4 O12 P3 -","- C352 H592 Cu16 N64 O192 P48 -","16","2","","Chen, Wenqian; Ogiwara, Naoki; Kadota, Kentaro; Panyarat, Kitt; Kitagawa, Susumu; Horike, Satoshi","Imidazolium cation transportation in a 1-D coordination polymer","Dalton Trans.","2017","","","","","10.1039/C7DT02625K","","","0.71073","MoKα","","0.193","0.0853","","","0.1696","0.2097","","","","","","1.007","","","","has coordinates,has disorder","199333","2020-10-21","18:00:00",""
"7043838","19.777","0.004","15.975","0.003","20.563","0.004","90","","90","","90","","6497","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H31 I2 N3 O8 Pd -","- C30 H31 I2 N3 O8 Pd -","- C240 H248 I16 N24 O64 Pd8 -","8","1","","Visentin, Fabiano; Santo, Claudio; Scattolin, Thomas; Demitri, Nicola; Canovese, Luciano","Reactivity of N-heterocyclic carbene‒pyridine palladacyclopentadiene complexes toward halogen addition. The unpredictable course of the reaction","Dalton Trans.","2017","","","","","10.1039/C7DT02162C","","","0.7","Synchrotron","","0.0525","0.0426","","","0.108","0.1157","","","","","","1.047","","","","has coordinates,has disorder","199363","2020-10-21","18:00:00",""
"7043846","20.7434","0.0015","12.039","0.0009","25.9875","0.0018","90","","90","","90","","6489.9","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Cl2 Fe N8 O2 -","- C37 H28 Cl2 Fe N8 O2 -","- C296 H224 Cl16 Fe8 N64 O16 -","8","1","","Sengupta, Arunava; Rajput, Amit; Barman, Suman K.; Mukherjee, Rabi","Low-spin [MII(L)2] and [MIII(L)2]+ (M = Fe and Co) complexes of tridentate azo-containing pyridine/pyrazine amide ligands: structures, properties and redox potential correlations","Dalton Trans.","2017","","","","","10.1039/C7DT01577A","","","0.71073","MoKα","","0.0977","0.0549","","","0.1184","0.1396","","","","","","1.014","","","","has coordinates","199378","2020-10-21","18:00:00",""
"7043858","16.531","0.001","18.3871","0.0012","20.0878","0.0013","90","","90","","90","","6105.8","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H39 Ir P2 -","- C36 H39 Ir P2 -","- C288 H312 Ir8 P16 -","8","1","","Casado, Miguel Ángel; Mena, Inmaculada; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.","Reactivity of Parent Amido Complexes of Iridium with Olefins: C-NH2 Bond Formation versus C-H Activation","Dalton Trans.","2017","","","","","10.1039/C7DT01924F","","","0.71073","MoKα","","0.0638","0.0273","","","0.0472","0.0576","","","","","","1.067","","","","has coordinates","199422","2020-10-21","18:00:00",""
"7043919","16.5737","0.0009","17.3918","0.0009","19.3984","0.001","90","","90","","90","","5591.5","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 Co N2 O3 Sn -","- C29 H27 Cl2 Co N2 O3 Sn -","- C232 H216 Cl16 Co8 N16 O24 Sn8 -","8","1","","Hazra, Susanta; Martins, Nuno M. R.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Flexibility and lability of a phenyl ligand in hetero-organometallic 3d metal-Sn(IV) compounds and their catalytic activity in Baeyer‒Villiger oxidation of cyclohexanone","Dalton Trans.","2017","","","","","10.1039/C7DT02534C","","","0.71073","MoKα","","0.0818","0.0362","","","0.0563","0.0664","","","","","","1.045","","","","has coordinates","199506","2020-10-21","18:00:00",""
"7043934","19.6492","0.0018","18.2345","0.0016","21.09","0.0019","90","","90","","90","","7556.4","1.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H33 F5 Ir N3 S2 -","- C45 H33 F5 Ir N3 S2 -","- C360 H264 F40 Ir8 N24 S16 -","8","1","","Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S.","Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III)","Dalton Trans.","2017","","","","","10.1039/C7DT02540H","","","0.71073","MoKα","","0.0605","0.0532","","","0.1116","0.114","","","","","","1.222","","","","has coordinates","199656","2020-10-21","18:00:00",""
"7043941","15.4896","0.0005","18.1048","0.0005","24.9836","0.0008","90","","90","","90","","7006.3","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cothio","","","- C36 H34 Co N6 O9 S -","- C36 H34 Co N6 O9 S -","- C288 H272 Co8 N48 O72 S8 -","8","1","","Mandal, Sukhendu; Rao, Purnachandra; chaudhary, Sonu Pratap; Arjun, U.; Kuznetsov, Denis; Nath, Ramesh Chandra","Magnetic Diversity in Three-dimensional 2-Fold Interpenetrated Structure: Story of Two Compounds","Dalton Trans.","2017","","","","","10.1039/C7DT02004J","","","0.71073","MoKα","","0.0858","0.0431","","","0.0971","0.1201","","","","","","0.915","","","","has coordinates","199690","2020-10-21","18:00:00",""
"7044023","9.5899","0.0006","20.9064","0.0013","28.9404","0.0017","90","","90","","90","","5802.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H64 N16 O4 U2 -","- C62 H64 N16 O4 U2 -","- C248 H256 N64 O16 U8 -","4","0.5","","Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John","Benzoquinonoid-bridged dinuclear actinide complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02728A","","","0.71073","MoKα","","0.0714","0.0454","","","0.0971","0.108","","","","","","1.044","","","","has coordinates","199917","2020-10-21","18:00:00",""
"7044124","6.6743","0.001","17.455","0.003","30.557","0.005","90","","90","","90","","3559.9","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pt(PiPCO)2, yellow","cis-Pt(II)-bis(N-piperidine-cyanoxime)","","- C16 H20 N6 O4 Pt -","- C16 H20 N6 O4 Pt -","- C128 H160 N48 O32 Pt8 -","8","1","","Cheadle, Carl; Ratcliff, Jessica; Berezin, Mikhail Y.; Pal'shin, Vadim; Nemykin, Victor; Gerasimchuk, Nikolay","Shortwave infrared luminescent Pt-nanowires: mechanistic study of emission in solution and solid state","Dalton Trans.","2017","","","","","10.1039/C7DT02317K","","","0.71073","MoKα","","0.1267","0.0538","","","0.1076","0.1385","","","","","","0.98","","","","has coordinates","200261","2020-10-21","18:00:00",""
"7044132","13.7615","0.0014","18.8631","0.0019","34.938","0.004","90","","90","","90","","9069.4","1.7","299","2","299","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C44 H36 Cl3 Cu F3 N5 O4 P2 -","- C44 H36 Cl3 Cu F3 N5 O4 P2 -","- C352 H288 Cl24 Cu8 F24 N40 O32 P16 -","8","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","MoKα","","0.1161","0.0735","","","0.1617","0.1852","","","","","","1.086","","","","has coordinates","200264","2020-10-21","18:00:00",""
"7044135","15.271","0.003","19.673","0.004","45.524","0.009","90","","90","","90","","13677","5","153","2","153","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C79 H63 Cl Cu2 F3 N5 O4 P4 -","- C79 H63 Cl Cu2 F3 N5 O4 P4 -","- C632 H504 Cl8 Cu16 F24 N40 O32 P32 -","8","1","","Chen, Jing-Lin; Zeng, Xue-Hua; Luo, Yan-Sheng; Wang, Wan-Man; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wong, Wai-Yeung (Raymond); Huang, S.P.","Synthesis, structure, and photophysical properties of copper(I) triphenylphosphine complexes with functionalized 3-(2′-pyrimidinyl)-1,2,4-triazole ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02848B","","","0.71073","synchrotron","","0.0369","0.0322","","","0.0878","0.0918","","","","","","1.027","","","","has coordinates","200264","2020-10-21","18:00:00",""
"7044194","14.1145","0.0002","16.1624","0.0002","28.696","0.0003","90","","90","","90","","6546.25","0.14","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Cl2 N9 O7 Ru -","- C29 H21 Cl2 N9 O7 Ru -","- C232 H168 Cl16 N72 O56 Ru8 -","8","1","","Mane, Vishwanath shesherao; Kumbhar, Avinash; Thummel, Randolph P.","A ruthenium water oxidation catalyst containing a bipyridine glycoluril ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02485A","","","1.54178","CuKα","","0.2675","0.1104","","","0.2809","0.3908","","","","","","1.207","","","","has coordinates,has disorder","200811","2020-10-21","18:00:00",""
"7044196","14.6171","0.0002","10.0602","0.0002","23.556","0.0004","90","","90","","90","","3463.93","0.1","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cu F3 N2 O6 S2 -","- C14 H11 Cu F3 N2 O6 S2 -","- C112 H88 Cu8 F24 N16 O48 S16 -","8","1","","Hardouin Duparc, Valérie; Schaper, Frank","Sulfonato-imino copper(II) complexes : fast and general Chan-Evans-Lam coupling of amines and anilines","Dalton Trans.","2017","","","","","10.1039/C7DT02260C","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0675","0.0679","","","","","","1.055","","","","has coordinates","200812","2020-10-21","18:00:00",""
"7044277","8.4853","0.0007","13.8473","0.0013","29.535","0.002","90","","90","","90","","3470.3","0.5","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cl2 Ir S2 -","- C16 H17 Cl2 Ir S2 -","- C128 H136 Cl16 Ir8 S16 -","8","1","","Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.","Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02827J","","","1.54178","CuKα","","0.0752","0.0542","","","0.1319","0.1439","","","","","","1.07","","","","has coordinates","201056","2020-10-21","18:00:00",""
"7044279","13.0325","0.0009","15.8037","0.001","16.5123","0.001","90","","90","","90","","3400.9","0.4","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 Os S2 -","- C16 H16 Cl2 Os S2 -","- C128 H128 Cl16 Os8 S16 -","8","1","","Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.","Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands","Dalton Trans.","2017","","","","","10.1039/C7DT02827J","","","1.54178","CuKα","","0.0388","0.0379","","","0.098","0.0986","","","","","","1.208","","","","has coordinates","201056","2020-10-21","18:00:00",""
"7044299","21.9855","0.0016","9.6676","0.0007","30.261","0.002","90","","90","","90","","6431.9","0.8","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H41 Cl4 N5 O2 U -","- C27 H41 Cl4 N5 O2 U -","- C216 H328 Cl32 N40 O16 U8 -","8","1","","Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten","Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments","Dalton Trans.","2017","","","","","10.1039/C7DT02947K","","","0.71073","MoKα","","0.0413","0.0268","","","0.0627","0.0692","","","","","","1.057","","","","has coordinates","201160","2020-10-21","18:00:00",""
"7044309","9.0167","0.0019","10.224","0.002","13.146","0.003","90","","90","","90","","1211.9","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H2 N6 O2 -","- C3 H2 N6 O2 -","- C24 H16 N48 O16 -","8","1","","Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua","Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities","Dalton Trans.","2017","","","","","10.1039/C7DT03320F","","","0.71073","MoKα","","0.0422","0.0368","","","0.09","0.0933","","","","","","1.12","","","","has coordinates","201163","2020-10-21","18:00:00",""
"7044343","9.0433","0.0001","23.7126","0.0004","39.6408","0.0005","90","","90","","90","","8500.6","0.2","100","","100","","","","","","","","synthesised","6","P b c a","-P 2ac 2ab","61","","","","- C36.37 H46.56 Cl2 Cu N8.19 O12 -","- C36.37 H46.555 Cl2 Cu N8.185 O12 -","- C290.96 H372.44 Cl16 Cu8 N65.48 O96 -","8","1","","Brown, Asha; Mennie, Katrina M.; Mason, Owen; White, Nicholas G.; Beer, Paul D.","Copper(ii)-directed synthesis of neutral heteroditopic [2]rotaxane ion-pair host systems incorporating hydrogen and halogen bonding anion binding cavities","Dalton Trans.","2017","","","","","10.1039/C7DT02832F","","","0.6889","Synchrotron","","0.0939","0.0872","","0.2451","0.2401","0.2451","","","","","","0.9979","","","","has coordinates,has disorder","201394","2020-10-21","18:00:00",""
"7044385","18.7669","0.0006","16.8927","0.0005","19.9516","0.0006","90","","90","","90","","6325.1","0.3","150","0.2","150","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H100 Na2 O4 P2 -","- C64 H100 Na2 O4 P2 -","- C256 H400 Na8 O16 P8 -","4","0.5","","Izod, Keith; Evans, Peter; Waddell, Paul G.","Desolvation and aggregation of sterically demanding alkali metal diarylphosphides","Dalton Trans.","2017","","","","","10.1039/C7DT02238G","","x-ray","0.71073","MoKα","","0.0847","0.0499","","","0.1095","0.1268","","","","","","1.026","","","","has coordinates,has disorder","201546","2020-10-21","18:00:00",""
"7044478","15.0796","0.0009","11.8853","0.0005","16.7606","0.0008","90","","90","","90","","3003.9","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B4 H24 N4 O13 Zn -","- B4 H24 N4 O13 Zn -","- B32 H192 N32 O104 Zn8 -","8","1","","Imer, Marcos Ramón; González, Mariana Estefani; Veiga, Nicolás; Kremer, Carlos; Suescun, Leopoldo; Arizaga, Livia","Synthesis, structural characterization and scalable preparation of new amino-zinc borates.","Dalton Trans.","2017","","","","","10.1039/C7DT03186F","","","0.71073","MoKα","","0.0421","0.0298","","","0.0658","0.0725","","","","","","1.059","","","","has coordinates","202045","2020-10-21","18:00:00",""
"7044485","20.97417","0.00014","7.20756","0.00003","13.12202","0.00006","90","","90","","90","","1983.69","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cu(CH3-COO)2*2Cu'(OH)2*0H2O, 1-2-0 phase","","","- C4 H10 Cu3 O8 -","- C4 Cu3 O8 -","- C32 Cu24 O64 -","8","1","","Bette, Sebastian; Kremer, Reinhard; Eggert, Gerhard; Tang, Chiu; Dinnebier, Robert E.","On Verdigris, Part I: Synthesis, Crystal Structure Solution and Characterization of the 1-2-0 phase (Cu3(CH3COO)2(OH)4)","Dalton Trans.","2017","","","","","10.1039/C7DT03288A","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","0.0412","","","","","","","","","has coordinates","202091","2020-10-21","18:00:00",""
"7044489","14.528","0.003","9.303","0.002","39.895","0.007","90","","90","","90","","5392","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 Cl6 Er2 O24 -","- C48 H48 Cl6 Er2 O24 -","- C192 H192 Cl24 Er8 O96 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.1166","0.0972","","","0.1981","0.2067","","","","","","1.16","","","","has coordinates","202142","2020-10-21","18:00:00",""
"7044490","14.565","0.003","9.341","0.002","40.155","0.008","90","","90","","90","","5463","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 Cl6 Ho2 O24 -","- C48 H48 Cl6 Ho2 O24 -","- C192 H192 Cl24 Ho8 O96 -","4","0.5","","Xu, Xiu ling; Hu, Fan; Shuai, Qi","Facile synthesis of highly biocompatible folic acid-functionalized SiO2 encapsulated rare-earth metal complexes nanoparticles and its application on targeted metal-based complex delivery","Dalton Trans.","2017","","","","","10.1039/C7DT03000B","","","0.71073","MoKα","","0.0794","0.0715","","","0.2484","0.2557","","","","","","1.11","","","","has coordinates","202142","2020-10-21","18:00:00",""
"7044571","10.487","0.004","18.279","0.006","28.035","0.01","90","","90","","90","","5374","3","300","2","300","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H72 Br2 Cl4 Fe2 N2 S2 -","- C44 H72 Br2 Cl4 Fe2 N2 S2 -","- C176 H288 Br8 Cl16 Fe8 N8 S8 -","4","0.5","","Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03353B","","","0.71073","MoKα","","0.1171","0.0704","","","0.195","0.2143","","","","","","1.047","","","","has coordinates","202391","2020-10-21","18:00:00",""
"7044701","9.603","0.003","14.769","0.005","20.786","0.007","90","","90","","90","","2948","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C40 H112 Cl24 K8 N16 O96 -","8","1","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.0617","0.0509","","","0.1175","0.1321","","","","","","1.149","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044703","9.64","0.004","14.793","0.007","20.947","0.009","90","","90","","90","","2987","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cl3 K N2 O12 -","- C5 H14 Cl3 K N2 O12 -","- C40 H112 Cl24 K8 N16 O96 -","8","1","","Sun, Yu-Ling; Shi, Chao; Zhang, Wen","Distinct room-temperature dielectric transition in a perchlorate-based organic-inorganic hybrid perovskite","Dalton Transactions","2017","","","","","10.1039/C7DT03798H","","","0.71073","MoKα","","0.0748","0.062","","","0.1483","0.1618","","","","","","1.163","","","","has coordinates","202942","2020-10-21","18:00:00",""
"7044788","19.6037","0.0012","17.1792","0.0011","37.549","0.002","90","","90","","90","","12645.6","1.3","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B2 Br4 N2 -","- C26 H36 B2 Br4 N2 -","- C416 H576 B32 Br64 N32 -","16","2","","Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.","1,3,2-Diazaborole-derived carbene complexes of boron.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","41","44","10.1039/c7dt04079b","","","0.71073","MoKα","","0.1618","0.0734","","","0.1574","0.1941","","","","","","1.01","","","","has coordinates","229387","2020-10-21","18:00:00",""
"7044831","18.174","0.003","13.861","0.002","25.67","0.004","90","","90","","90","","6466.5","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H35 Cl4 O3 P Ru -","- C33 H35 Cl4 O3 P Ru -","- C264 H280 Cl32 O24 P8 Ru8 -","8","1","","Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio","Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03385K","","","0.71073","MoKα","","0.167","0.1402","","","0.2731","0.2888","","","","","","1.223","","","","has coordinates","203473","2020-10-21","18:00:00",""
"7044834","14.3504","0.0008","16.8861","0.0009","42.303","0.002","90","","90","","90","","10251","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl2 O P Ru -","- C28 H29 Cl2 O P Ru -","- C448 H464 Cl32 O16 P16 Ru16 -","16","2","","Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio","Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand","Dalton Transactions","2017","","","","","10.1039/C7DT03385K","","","0.71073","MoKα","","0.1353","0.0956","","","0.164","0.1788","","","","","","1.172","","","","has coordinates","203473","2020-10-21","18:00:00",""
"7044836","12.0912","0.0004","20.0536","0.0006","37.1612","0.0011","90","","90","","90","","9010.6","0.5","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H41 Mo2 O9 P3 -","- C45 H41 Mo2 O9 P3 -","- C360 H328 Mo16 O72 P24 -","8","1","","Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.","Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion","Dalton Transactions","2017","","","","","10.1039/C7DT03844E","","","0.71073","MoKα","","0.0448","0.0318","","","0.0687","0.0725","","","","","","1.059","","","","has coordinates,has disorder","203515","2020-10-21","18:00:00",""
"7044868","16.8227","0.0012","11.3329","0.0008","25.1614","0.0017","90","","90","","90","","4797","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Cl3 N O2 Ru -","- C24 H24 Cl3 N O2 Ru -","- C192 H192 Cl24 N8 O16 Ru8 -","8","1","","Mandal, Poulami; Kundu, Bidyut Kumar; Vyas, Komal; Sabu, Vidya; Helen, A.; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Bhattacherjee, Debojit; Bhabak, Krishna Pada; Mukhopadhyay, Suman","Ruthenium(ii) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","517","527","10.1039/c7dt03637j","","","0.71073","MoKα","","0.0373","0.0282","","","0.0693","0.0741","","","","","","1.071","","","","has coordinates","229576","2020-10-21","18:00:00",""
"7044954","21.3052","0.0016","14.9146","0.0011","27.057","0.002","90","","90","","90","","8597.6","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Au I9 N10 -","- C22 H30 Au I9 N10 -","- C176 H240 Au8 I72 N80 -","8","1","","Baron, Marco; Dall'Anese, Anna; Tubaro, Cristina; Orian, Laura; Di Marco, Valerio; Bogialli, Sara; Graiff, Claudia; Basato, Marino","A square planar gold(iii) bis-(1,1'-dimethyl-3,3'-methylene-diimidazol-2,2'-diylidene) trication as an efficient and selective receptor towards halogen anions: the cooperative effect of AuX and XHC interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","935","945","10.1039/c7dt03672h","","","0.71073","MoKα","","0.1031","0.0501","","","0.1285","0.1555","","","","","","1.058","","","","has coordinates","230079","2020-10-21","18:00:00",""
"7044969","15.5088","0.0003","13.34471","0.00014","24.9142","0.0005","90","","90","","90","","5156.25","0.15","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Cl Ir N2 O4 -","- C26 H32 Cl Ir N2 O4 -","- C208 H256 Cl8 Ir8 N16 O32 -","8","1","","Navarro, Miquel; Li, Mo; Bernhard, Stefan; Albrecht, Martin","A mesoionic nitrogen-donor ligand: structure, iridium coordination, and catalytic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","659","662","10.1039/c7dt04555g","","x-ray","0.71073","MoKα","","0.063","0.0306","","","0.0441","0.0508","","","","","","1.018","","","","has coordinates","230080","2020-10-21","18:00:00",""
"7044989","13.7663","0.0005","14.165","0.0004","35.8694","0.0012","90","","90","","90","","6994.5","0.4","101","2","101.6","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N3 P2 Re -","- C36 H52 N3 P2 Re -","- C288 H416 N24 P16 Re8 -","8","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","High-valent nitridorhenium(v) complexes containing PNP ligands: implications of ligand flexibility.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","758","768","10.1039/c7dt03615a","","","0.71073","MoKα","","0.0508","0.0372","","","0.0648","0.0686","","","","","","1.114","","","","has coordinates","230061","2020-10-21","18:00:00",""
"7045074","9.7816","0.0007","8.0278","0.0006","12.9267","0.001","90","","90","","90","","1015.07","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sr(VO2F)(SeO3)","","- F O5 Se Sr V -","- F O5 Se Sr V -","- F8 O40 Se8 Sr8 V8 -","8","1","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1513","1519","10.1039/c7dt04442a","","","0.71073","MoKα","","0.0239","0.0219","","","0.0568","0.058","","","","","","1.043","","","","has coordinates","229452","2020-10-21","18:00:00",""
"7045075","10.0539","0.0006","8.3967","0.0005","13.1744","0.001","90","","90","","90","","1112.18","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ba(VO2F)(SeO3)","","- Ba F O5 Se V -","- Ba F O5 Se V -","- Ba8 F8 O40 Se8 V8 -","8","1","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1513","1519","10.1039/c7dt04442a","","","0.71073","MoKα","","0.0244","0.0205","","","0.0466","0.0493","","","","","","1.03","","","","has coordinates","229452","2020-10-21","18:00:00",""
"7045090","13.815","0.002","15.2054","0.0013","29.897","0.004","90","","90","","90","","6280.2","1.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cl N2 O2 Ru -","- C33 H33 Cl N2 O2 Ru -","- C264 H264 Cl8 N16 O16 Ru8 -","8","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.","Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","868","878","10.1039/c7dt04249c","","","0.71073","MoKα","","0.1419","0.1083","","","0.2212","0.2338","","","","","","1.26","","","","has coordinates","230064","2020-10-21","18:00:00",""
"7045095","8.3521","0.0003","17.4627","0.0006","38.415","0.003","90","","90","","90","","5602.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H27 N O3 Sn -","- C33 H27 N O3 Sn -","- C264 H216 N8 O24 Sn8 -","8","1","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0863","0.0618","","","0.1003","0.1098","","","","","","1.159","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045121","17.8249","0.001","17.7694","0.001","23.7557","0.0013","90","","90","","90","","7524.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H56 N2 Yb -","- C44 H56 N2 Yb -","- C352 H448 N16 Yb8 -","8","1","","Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.","Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1566","1576","10.1039/c7dt04299j","","","0.71073","MoKα","","0.0649","0.0311","","","0.0605","0.069","","","","","","1","","","","has coordinates,has disorder","229464","2020-10-21","18:00:00",""
"7045162","15.694","0.003","15.531","0.003","22.791","0.005","90","","90","","90","","5555.2","1.9","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H26 B2 Cl2 F6 N6 O6 S2 -","- C17 H26 B2 Cl2 F6 N6 O6 S2 -","- C136 H208 B16 Cl16 F48 N48 O48 S16 -","8","1","","Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2009","2017","10.1039/c7dt04433j","","","0.71073","MoKα","","0.1135","0.0526","","","0.1123","0.136","","","","","","1.01","","","","has coordinates","229583","2020-10-21","18:00:00",""
"7045188","17.0155","0.0017","13.1699","0.0012","25.257","0.003","90","","90","","90","","5659.9","1","150","2","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H64 Ag2 F6 N4 O8 S2 Se2 -","- C52 H64 Ag2 F6 N4 O8 S2 Se2 -","- C208 H256 Ag8 F24 N16 O32 S8 Se8 -","4","0.5","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0755","0.0438","","","0.0787","0.0887","","","","","","1.11","","","","has coordinates,has disorder","229468","2020-10-21","18:00:00",""
"7045199","16.6002","0.0007","17.2054","0.0007","31.578","0.0017","90","","90","","90","","9019.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl2 Cu2 N7 O10 -","- C42 H57 Cl2 Cu2 N7 O10 -","- C336 H456 Cl16 Cu16 N56 O80 -","8","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0587","0.0452","","","0.1136","0.1228","","","","","","1.035","","","","has coordinates,has disorder","204673","2020-10-21","18:00:00",""
"7045258","17.1587","0.0008","8.5115","0.0004","22.2671","0.0012","90","","90","","90","","3252","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H17 Cu2 I3 N2 -","- C9 H17 Cu2 I3 N2 -","- C72 H136 Cu16 I24 N16 -","8","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","","0.71073","MoKα","","0.0522","0.04","","","0.122","0.1347","","","","","","1.007","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045272","14.9552","0.0004","15.0093","0.0004","21.7963","0.0006","90","","90","","90","","4892.6","0.2","123","","123","","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl F6 N3 P Rh -","- C22 H30 Cl F6 N3 P Rh -","- C176 H240 Cl8 F48 N24 P8 Rh8 -","8","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0497","0.0336","","","0.0669","0.0751","","","","","","1.113","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045274","15.0548","0.0006","14.9891","0.0006","21.8205","0.0009","90","","90","","90","","4924","0.3","123","","123","","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl F6 Ir N3 P -","- C22 H30 Cl F6 Ir N3 P -","- C176 H240 Cl8 F48 Ir8 N24 P8 -","8","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0251","0.0179","","","0.036","0.0384","","","","","","1.026","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045335","15.55","0.002","19.5","0.002","20.14","0.0013","90","","90","","90","","6107","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl3 F6 N2 O Pd -","- C30 H23 Cl3 F6 N2 O Pd -","- C240 H184 Cl24 F48 N16 O8 Pd8 -","8","1","","Rosar, V.; Meduri, A.; Montini, T.; Fornasiero, P.; Zangrando, E.; Milani, B.","The contradictory effect of the methoxy-substituent in palladium-catalyzed ethylene/methyl acrylate cooligomerization.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2778","2790","10.1039/c7dt04465h","","","0.7","synchrotron","","0.0791","0.0741","","","0.201","0.2049","","","","","","1.069","","","","has coordinates","229396","2020-10-21","18:00:00",""
"7045345","20.2722","0.0007","7.6512","0.0003","28.2787","0.0009","90","","90","","90","","4386.2","0.3","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Bi Br7 Cl2 N2 -","- C10 H10 Bi Br7 Cl2 N2 -","- C80 H80 Bi8 Br56 Cl16 N16 -","8","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bromine-rich complexes of bismuth: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2683","2689","10.1039/c7dt04779g","","x-ray","0.71073","MoKα","","0.0786","0.0498","","","0.1165","0.1312","","","","","","1.046","","","","has coordinates","229395","2020-10-21","18:00:00",""
"7045351","26.444","0.003","28.562","0.003","29.277","0.003","90","","90","","90","","22113","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H83 Mo19 N12 Na O55 -","- C60 H60 Mo19 N12 Na O54.99 -","- C480 H480 Mo152 N96 Na8 O439.92 -","8","1","","Xu, Xian; Luo, Ben-Long; Wang, Lu-Lu; Xu, Li","An unprecedented nanocage-like and heterometallic [MoO<sub>4</sub>]-polyoxomolybdate hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3218","3222","10.1039/c7dt04309k","","","0.71073","MoKα","","0.043","0.0399","","","0.1046","0.1067","","","","","","1.13","","","","has coordinates","229255","2020-10-21","18:00:00",""
"7045432","10.7754","0.0004","8.6531","0.0004","13.0339","0.0007","90","","90","","90","","1215.29","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Cl4 Mo S2 -","- C4 H12 Cl4 Mo S2 -","- C16 H48 Cl16 Mo4 S8 -","4","0.5","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.027","0.0208","","","0.0439","0.0457","","","","","","1.045","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045507","17.3871","0.001","16.0371","0.0009","22.7948","0.0013","90","","90","","90","","6356.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H64 Cd4 N16 O4 S8 -","- C48 H64 Cd4 N16 O4 S8 -","- C192 H256 Cd16 N64 O16 S32 -","4","0.5","","Wang, Yaqin; Xu, Xinxin; Lu, Wei; Huo, Yuqiu; Bian, Lijun","A sulfur vacancy rich CdS based composite photocatalyst with g-C<sub>3</sub>N<sub>4</sub> as a matrix derived from a Cd-S cluster assembled supramolecular network for H<sub>2</sub> production and VOC removal.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4219","4227","10.1039/c7dt04912a","","","0.71073","MoKα","","0.0545","0.0386","","","0.0971","0.1094","","","","","","0.983","","","","has coordinates","230040","2020-10-21","18:00:00",""
"7045672","23.5126","0.0003","11.8347","0.0001","23.8529","0.0003","90","","90","","90","","6637.42","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H52 N2 P2 Sn -","- C31 H52 N2 P2 Sn -","- C248 H416 N16 P16 Sn8 -","8","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub> (E = C, Si, Ge, Sn).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4534","4544","10.1039/c7dt04561a","","","1.5418","CuKα","","0.0342","0.0315","","","0.0816","0.0841","","","","","","1.023","","","","has coordinates","229750","2020-10-21","18:00:00",""
"7045678","17.7707","0.0005","25.4858","0.0007","31.6358","0.0009","90","","90","","90","","14327.9","0.7","101","2","100.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O2 Tl2 -","- C36 H46 N2 O2 Tl2 -","- C576 H736 N32 O32 Tl32 -","16","2","","Boyle, Timothy J.; Perales, Diana; Rimsza, Jessica M.; Alam, Todd M.; Boye, Daniel M.; Sears, Jeremiah M.; Greathouse, Jeffery A.; Kemp, Richard A.","Synthesis and characterization of thallium-salen derivatives for use as underground fluid flow tracers.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4162","4174","10.1039/c7dt04121g","","","1.54178","CuKα","","0.0308","0.0282","","","0.0704","0.0719","","","","","","1.087","","","","has coordinates,has disorder","230048","2020-10-21","18:00:00",""
"7045699","22.6598","0.0004","11.9386","0.0002","35.4316","0.0007","90","","90","","90","","9585.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B2 F10 P2 -","- C50 H62 B2 F10 P2 -","- C400 H496 B16 F80 P16 -","8","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.1244","0.0702","","","0.1306","0.1532","","","","","","1.032","","","","has coordinates,has disorder","229756","2020-10-21","18:00:00",""
"7045721","14.1321","0.0004","8.897","0.0003","25.7568","0.0007","90","","90","","90","","3238.49","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Gd2 N4 O24 -","- C22 H26 Gd2 N4 O24 -","- C88 H104 Gd8 N16 O96 -","4","0.5","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0325","0.027","","","0.0603","0.0626","","","","","","1.243","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045743","25.545","0.004","26.67","0.004","7.3447","0.001","90","","90","","90","","5003.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H14 Fe2 O6 S2 -","- C26 H14 Fe2 O6 S2 -","- C208 H112 Fe16 O48 S16 -","8","1","","Pandey, Indresh Kumar; Natarajan, Mookan; Faujdar, Hemlata; Hussain, Firasat; Stein, Matthias; Kaur-Ghumaan, Sandeep","Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4941","4949","10.1039/C7DT04837H","","","0.71073","MoKα","","0.194","0.0923","","","0.1526","0.2031","","","","","","0.97","","","","has coordinates","229759","2020-10-21","18:00:00",""
"7045802","24.12","0.002","11.1958","0.001","25.776","0.002","90","","90","","90","","6960.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H51 Au B2 Cl N2 P -","- C35 H51 Au B2 Cl N2 P -","- C280 H408 Au8 B16 Cl8 N16 P8 -","8","1","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.0614","0.0415","","","0.0888","0.0949","","","","","","1.113","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045873","15.7808","0.0006","12.1309","0.0005","27.9536","0.0011","90","","90","","90","","5351.3","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H34 N2 Na O4 P -","- C27 H34 N2 Na O4 P -","- C216 H272 N16 Na8 O32 P8 -","8","1","","Polezhaev, Alexander V.; Beagan, Daniel M.; Cabelof, Alyssa C.; Chen, Chun-Hsing; Caulton, Kenneth G.","A substituent-tolerant synthetic approach to N/P-""loaded"" heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5938","5942","10.1039/c8dt00533h","","","0.41328","synchrotron","","0.0691","0.0649","","0.1889","0.1848","0.1889","","","","","","0.9967","","","","has coordinates,has disorder","229538","2020-10-21","18:00:00",""
"7045879","15.4505","0.0004","13.9523","0.0004","16.3341","0.0004","90","","90","","90","","3521.14","0.16","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine](methanol)silver(I) tetrafluoroborate","","- C13 H13 Ag B F4 N9 O -","- C13 H13 Ag B F4 N9 O -","- C104 H104 Ag8 B8 F32 N72 O8 -","8","1","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0334","0.0274","","","0.0629","0.0656","","","","","","1.059","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045907","18.642","0.002","14.0067","0.0018","19.752","0.002","90","","90","","90","","5157.5","1","110","2","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H25 F3 N O3 S Sb -","- C27 H25 F3 N O3 S Sb -","- C216 H200 F24 N8 O24 S8 Sb8 -","8","1","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.0722","0.0448","","","0.1024","0.122","","","","","","1.049","","","","has coordinates","229986","2020-10-21","18:00:00",""
"7045992","11.383","0.006","9.236","0.005","30.142","0.015","90","","90","","90","","3169","3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H10 Ag2 O7 -","- C17 H10 Ag2 O7 -","- C136 H80 Ag16 O56 -","8","1","","Ye, Cai-Ping; Xu, Gan; Wang, Zheng; Han, Jie; Xue, Lian; Cao, Fu-Yu; Zhang, Qi; Yang, Lin-Feng; Lin, Li-Zhou; Chen, Xu-Dong","Design and synthesis of functionalized coordination polymers as recyclable heterogeneous photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6470","6478","10.1039/c8dt00902c","","","0.71073","MoKα","","0.0506","0.0307","","","0.0619","0.0686","","","","","","1.0641","","","","has coordinates","229867","2020-10-21","18:00:00",""
"7046001","19.3956","0.0006","7.8668","0.0002","36.2303","0.0014","90","","90","","90","","5528.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H46 I Mg N O2 Si2 -","- C20 H46 I Mg N O2 Si2 -","- C160 H368 I8 Mg8 N8 O16 Si16 -","8","1","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.0569","0.0381","","","0.0733","0.082","","","","","","1.045","","","","has coordinates,has disorder","229921","2020-10-21","18:00:00",""
"7046002","20.5592","0.0005","16.2479","0.0007","26.1021","0.0008","90","","90","","90","","8719.2","0.5","150.03","0.1","150.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H84 Ca N2 Si4 -","- C36 H84 Ca N2 Si4 -","- C288 H672 Ca8 N16 Si32 -","8","1","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.1177","0.0589","","","0.1089","0.1383","","","","","","1.012","","","","has coordinates","229921","2020-10-21","18:00:00",""
"7046026","13.8716","0.0013","11.605","0.0011","22.12","0.002","90","","90","","90","","3560.9","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Głodek, Marta; Makal, Anna; Paluch, Piotr; Kadziołka-Gaweł, Mariola; Kobayashi, Yasuhiro; Zakrzewski, Janusz; Plażuk, Damian","(Ar-CO-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au and (Ar-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au complexes bearing pyrenyl and ferrocenyl groups: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6702","6712","10.1039/c8dt01061g","","x-ray","0.71073","MoKα","K-L~3~","0.0207","0.0159","","","0.0326","0.0339","","","","","","1.032","","","","has coordinates","229612","2020-10-21","18:00:00",""
"7046095","18.4514","0.001","19.5777","0.0011","20.149","0.0011","90","","90","","90","","7278.5","0.7","100","2","100","2","","","","","","","synthetical product","5","P b c a","-P 2ac 2ab","61","(m2-oxo)-bis(bis(2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O)-iron(III))","(m2-oxo)-bis(bis(2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O)-iron(III))","","- C40 H36 Fe2 N8 O5 -","- C40 H36 Fe2 N8 O5 -","- C320 H288 Fe16 N64 O40 -","8","1","","Stanje, B.; Traar, P.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N C","Iron catalyzed oxidation of benzylic alcohols to benzoic acids.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6412","6420","10.1039/c8dt00819a","","","0.71073","MoKα","","0.0566","0.0355","","","0.0823","0.091","","","","","","1.01","","","","has coordinates","229880","2020-10-21","18:00:00",""
"7046098","12.696","0.002","15.239","0.003","27.961","0.005","90","","90","","90","","5409.7","1.7","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H20 N4 O5 Zn -","- C29 H20 N4 O5 Zn -","- C232 H160 N32 O40 Zn8 -","8","1","","Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang; Zheng, He-Gen","A triphenylamine-functionalized luminescent sensor for efficient p-nitroaniline detection.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7222","7228","10.1039/c8dt01240g","","","0.71073","MoKα","","0.0851","0.0509","","","0.1345","0.1537","","","","","","1.023","","","","has coordinates,has disorder","229897","2020-10-21","18:00:00",""
"7046253","20.6319","0.0009","20.1603","0.0011","21.9662","0.001","90","","90","","90","","9136.7","0.8","150.01","0.01","150.01","0.01","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H84 Br N2 Si4 Sm -","- C36 H84 Br N2 Si4 Sm -","- C288 H672 Br8 N16 Si32 Sm8 -","8","1","","Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen","Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L<sub>3</sub>-edge X-ray absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10613","10625","10.1039/c8dt01452c","","x-ray","0.71073","MoKα","","0.0857","0.0459","","","0.0889","0.1063","","","","","","1.036","","","","has coordinates,has disorder","229832","2020-10-21","18:00:00",""
"7046268","18.2498","0.0006","18.0627","0.0006","23.1305","0.0008","90","","90","","90","","7624.8","0.4","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C39 H32 B2 Cl2 F6 N2 Ni O2 P2 -","- C39 H32 B2 Cl2 F6 N2 Ni O2 P2 -","- C312 H256 B16 Cl16 F48 N16 Ni8 O16 P16 -","8","1","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0504","0.0405","","","0.1073","0.1147","","","","","","1.018","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7046288","18.5429","0.0004","7.53048","0.00019","19.1421","0.0006","90","","90","","90","","2672.94","0.12","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H5 Bi I4 N2 S -","- C3 H5 Bi I4 N2 S -","- C24 H40 Bi8 I32 N16 S8 -","8","1","","Li, Tianyue; Wang, Qifei; Nichol, Gary S.; Morrison, Carole A.; Han, Hongwei; Hu, Yue; Robertson, Neil","Extending lead-free hybrid photovoltaic materials to new structures: thiazolium, aminothiazolium and imidazolium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7050","7058","10.1039/c8dt00864g","","x-ray","0.71073","MoKα","","0.0499","0.0412","","","0.0769","0.0802","","","","","","1.11","","","","has coordinates","229703","2020-10-21","18:00:00",""
"7046301","12.009","0.0011","13.2871","0.0013","25.952","0.002","90","","90","","90","","4141","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triethylammonium tetrachlorozincate","","- C12 H32 Cl4 N2 Zn -","- C12 H32 Cl4 N2 Zn -","- C96 H256 Cl32 N16 Zn8 -","8","1","","Kore, Rajkumar; Kelley, Steven P.; Aduri, Pavankumar; Rogers, Robin D.","Mixed metal double salt ionic liquids comprised of [HN<sub>222</sub>]<sub>2</sub>[ZnCl<sub>4</sub>] and AlCl<sub>3</sub> provide tunable Lewis acid catalysts related to the ionic environment.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7795","7803","10.1039/c8dt00976g","","","0.71073","MoKα","","0.1338","0.0698","","","0.1597","0.1973","","","","","","1.015","","","","has coordinates","229891","2020-10-21","18:00:00",""
"7046404","17.8332","0.0004","9.2678","0.0001","24.5582","0.0002","90","","90","","90","","4058.84","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cu N3 O8 -","- C19 H19 Cu N3 O8 -","- C152 H152 Cu8 N24 O64 -","8","1","","Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.","Selective CO<sub>2</sub> adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10527","10535","10.1039/c8dt01247d","","x-ray","0.67522","","","0.0714","0.0687","","","0.192","0.1948","","","","","","1.08","","","","has coordinates","229838","2020-10-21","18:00:00",""
"7046405","17.7049","0.0015","9.2515","0.0009","24.5663","0.0019","90","","90","","90","","4023.9","0.6","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cu N3 O8 -","- C19 H19 Cu N3 O8 -","- C152 H152 Cu8 N24 O64 -","8","1","","Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.","Selective CO<sub>2</sub> adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10527","10535","10.1039/c8dt01247d","","","0.71073","MoKα","","0.0913","0.0649","","","0.1494","0.1628","","","","","","1.058","","","","has coordinates","229838","2020-10-21","18:00:00",""
"7046406","16.61","0.004","8.957","0.002","25.681","0.006","90","","90","","90","","3820.7","1.5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Cu N3 O8.88 -","- C17 H13 Cu N3 O8.84 -","- C136 H104 Cu8 N24 O70.72 -","8","1","","Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.","Selective CO<sub>2</sub> adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10527","10535","10.1039/c8dt01247d","","","0.71073","MoKα","","0.1184","0.0872","","","0.1834","0.2022","","","","","","1.202","","","","has coordinates","229838","2020-10-21","18:00:00",""
"7046431","17.45","0.004","15.904","0.003","34.461","0.007","90","","90","","90","","9564","3","153.15","0.1","153.15","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56.4 H47.4 Cl1.2 Ir N2 O3 -","- C56.4 H47.4 Cl1.2 Ir N2 O3 -","- C451.2 H379.2 Cl9.6 Ir8 N16 O24 -","8","1","","Chen, Mengzhen; Lan, Ying; Zheng, Jiqing; Pan, Fangfang; Song, Xiangzhi; He, Lei","No aggregation-induced-emission but quenching of phosphorescence for an iridium complex with a 2,2-diphenylvinyl motif: a joint experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8023","8031","10.1039/c8dt01084f","","","0.71073","MoKα","","0.0926","0.0808","","","0.1804","0.1878","","","","","","1.21","","","","has coordinates,has disorder","229229","2020-10-21","18:00:00",""
"7046447","7.793","0.0005","19.0947","0.0016","22.1843","0.0017","90","","90","","90","","3301.1","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","AM-56","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C152 H120 Br8 N32 -","8","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","x-ray","0.71073","MoKα","","0.1071","0.0574","","","0.1311","0.1525","","","","","","1.031","","","","has coordinates,has disorder","229909","2020-10-21","18:00:00",""
"7046449","7.0881","0.0003","21.2183","0.0011","22.2028","0.0009","90","","90","","90","","3339.2","0.3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","AM61","","- C20 H16 Br N4 -","- C20 H16 Br N4 -","- C160 H128 Br8 N32 -","8","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0326","0.0292","","","0.0738","0.0755","","","","","","1.095","","","","has coordinates","229909","2020-10-21","18:00:00",""
"7046450","7.7989","0.0009","18.971","0.003","22.455","0.004","90","","90","","90","","3322.3","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","AM58NL","","- C20 H15 Br N4 -","- C20 H15 Br N4 -","- C160 H120 Br8 N32 -","8","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0963","0.0563","","","0.1111","0.126","","","","","","1.053","","","","has coordinates","229909","2020-10-21","18:00:00",""
"7046486","14.0747","0.0004","10.3531","0.0002","31.3324","0.001","90","","90","","90","","4565.7","0.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl3 Cr2 N2 O6 -","- C15 H33 Cl3 Cr2 N2 O6 -","- C120 H264 Cl24 Cr16 N16 O48 -","8","1","","Fraser, Hector W. L.; Smythe, Lucy; Dey, Sourav; Nichol, Gary S.; Piligkos, Stergios; Rajaraman, Gopalan; Brechin, Euan K.","A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8100","8109","10.1039/c8dt01963k","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.0915","0.099","","","","","","1.11","","","","has coordinates","229213","2020-10-21","18:00:00",""
"7046584","11.092","0.002","19.313","0.004","35.246","0.007","90","","90","","90","","7550","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H29 B2 F8 Fe N11 O2 -","- C34 H29 B2 F8 Fe N11 O2 -","- C272 H232 B16 F64 Fe8 N88 O16 -","8","1","","Huang, Xing-Cai; Qi, Zi-Yi; Ji, Cheng-Long; Guo, Yi-Ming; Yan, Shi-Chang; Zhang, Yi-Quan; Shao, Dong; Wang, Xin-Yi","High-coordinate Co<sup>II</sup> and Fe<sup>II</sup> compounds constructed from an asymmetric tetradentate ligand show slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8940","8948","10.1039/c8dt01829d","","","0.71073","MoKα","","0.1171","0.0657","","","0.1441","0.1672","","","","","","1.053","","","","has coordinates","229324","2020-10-21","18:00:00",""
"7046659","9.7637","0.0008","9.764","","20.5506","0.0018","90","","90","","90","","1959.1","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 O10 P2 Sm -","- C2 H11 O10 P2 Sm -","- C16 H88 O80 P16 Sm8 -","8","1","","Wang, Xi; Lou, Dandan; Lu, Xiangcheng; Wu, Jianbin; Mu, Ying; Yan, Yan; Zhang, Qian; Bai, Ming","Switching on the proton transport pathway of a lanthanide metal-organic framework by one-pot loading of tetraethylene glycol for high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9096","9102","10.1039/c8dt01350k","","","0.71073","MoKα","","0.0308","0.0281","","","0.079","0.0807","","","","","","1.025","","","","has coordinates","229319","2020-10-21","18:00:00",""
"7046662","15.2248","0.0015","16.5088","0.0016","18.625","0.0018","90","","90","","90","","4681.3","0.8","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C36 H76 N2 O4 Si4 Sr2 -","- C36 H76 N2 O4 Si4 Sr2 -","- C144 H304 N8 O16 Si16 Sr8 -","4","0.5","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0614","0.0349","","","0.0726","0.0882","","","","","","1.099","","","","has coordinates,has disorder","229930","2020-10-21","18:00:00",""
"7046756","17.5073","0.0006","16.853","0.0006","19.125","0.0006","90","","90","","90","","5642.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H51 Fe Si2 -","- C25 H51 Fe Si2 -","- C200 H408 Fe8 Si16 -","8","1","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","0.71073","MoKα","","0.0955","0.0502","","","0.0866","0.0977","","","","","","1.017","","","","has coordinates","229846","2020-10-21","18:00:00",""
"7046758","12.4512","0.0002","17.0538","0.0002","18.7165","0.0002","90","","90","","90","","3974.27","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Fe I2 -","- C17 H29 Fe I2 -","- C136 H232 Fe8 I16 -","8","1","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","0.71073","MoKα","","0.0257","0.016","","","0.0319","0.0326","","","","","","0.927","","","","has coordinates","229846","2020-10-21","18:00:00",""
"7046808","15.376","0.005","14.622","0.005","20.208","0.006","90","","90","","90","","4543","3","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N4 O2 Rh -","- C23 H27 N4 O2 Rh -","- C184 H216 N32 O16 Rh8 -","8","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0399","0.0252","","","0.0549","0.0606","","","","","","1.014","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046823","10.909","0.0008","22.6914","0.0018","24.2243","0.0019","90","","90","","90","","5996.5","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H25 N6 O3 Re -","- C36 H25 N6 O3 Re -","- C288 H200 N48 O24 Re8 -","8","1","","Fiorini, Valentina; Bergamini, Linda; Monti, Nicola; Zacchini, Stefano; Plush, Sally E.; Massi, Massimiliano; Hochkoeppler, Alejandro; Stefan, Alessandra; Stagni, Stefano","Luminescent protein staining with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9400","9410","10.1039/c8dt02052c","","","0.71073","MoKα","","0.0417","0.0333","","","0.0528","0.0548","","","","","","1.189","","","","has coordinates","229189","2020-10-21","18:00:00",""
"7047019","17.3185","0.0011","19.7038","0.0012","19.7936","0.0012","90","","90","","90","","6754.4","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Co N4 Si2 -","- C33 H46 Co N4 Si2 -","- C264 H368 Co8 N32 Si16 -","8","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1304","0.052","","","0.098","0.124","","","","","","0.998","","","","has coordinates,has disorder","229169","2020-10-21","18:00:00",""
"7047024","19.7886","0.0013","17.2735","0.0011","19.8837","0.0012","90","","90","","90","","6796.6","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Fe N4 Si2 -","- C33 H46 Fe N4 Si2 -","- C264 H368 Fe8 N32 Si16 -","8","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1038","0.0452","","","0.0882","0.1094","","","","","","1.002","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047028","20.2194","0.0017","7.8753","0.0007","23.0736","0.0019","90","","90","","90","","3674.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl5 N2 O P2 Rh -","- C37 H32 Cl5 N2 O P2 Rh -","- C148 H128 Cl20 N8 O4 P8 Rh4 -","4","0.5","","Steinhoff, Patrick; Steinbock, Ralf; Friedrich, Anna; Schieweck, Benjamin G.; Cremer, Christopher; Truong, Khai-Nghi; Tauchert, Michael E.","Synthesis and properties of heterobimetallic rhodium complexes featuring Li<sup>I</sup>, Cu<sup>I</sup> or Zn<sup>II</sup> as a Lewis acidic metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10439","10442","10.1039/c8dt01267a","","","0.71073","MoKα","","0.0506","0.0312","","","0.0719","0.0785","","","","","","1.016","","","","has coordinates,has disorder","229820","2020-10-21","18:00:00",""
"7047039","25.643","0.004","9.4006","0.0016","30.308","0.005","90","","90","","90","","7306","2","115","1","115","1","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C127 H106 Au4 B4 Cl26 F8 N12 O4 P4 -","- C127 H106 Au4 B4 Cl26 F8 N12 O4 P4 -","- C254 H212 Au8 B8 Cl52 F16 N24 O8 P8 -","2","0.25","","Pliquett, Jacques; Amor, Souheila; Ponce-Vargas, Miguel; Laly, Myriam; Racoeur, Cindy; Rousselin, Yoann; Denat, Franck; Bettaïeb, Ali; Fleurat-Lessard, Paul; Paul, Catherine; Goze, Christine; Bodio, Ewen","Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11203","11218","10.1039/c8dt02364f","","x-ray","0.71073","MoKα","","0.0907","0.0732","","","0.1845","0.1979","","","","","","1.168","","","","has coordinates,has disorder","229375","2020-10-21","18:00:00",""
"7047090","23.2167","0.0003","18.8351","0.0002","25.8766","0.0003","90","","90","","90","","11315.5","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66.6 H65.8 Mo N O0.2 P5 -","- C64 H60 Mo N P5 -","- C512 H480 Mo8 N8 P40 -","8","1","","Apps, Samantha L.; White, Andrew J. P.; Miller, Philip W.; Long, Nicholas J.","Synthesis and reactivity of an N-triphos Mo(0) dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11386","11396","10.1039/c8dt02471e","","","1.54184","CuKα","","0.055","0.039","","","0.0864","0.093","","","","","","1.031","","","","has coordinates","229417","2020-10-21","18:00:00",""
"7047146","20.971","0.0011","19.1804","0.001","24.3516","0.0012","90","","90","","90","","9795","0.9","184.5","0.2","184.5","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H80 Ca N4 O2 Si2 -","- C44 H80 Ca N4 O2 Si2 -","- C352 H640 Ca8 N32 O16 Si16 -","8","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.1254","0.0706","","","0.146","0.1734","","","","","","1.019","","","","has coordinates,has disorder","229911","2020-10-21","18:00:00",""
"7047160","23.6369","0.0011","18.4262","0.0009","24.0732","0.0012","90","","90","","90","","10484.8","0.9","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C109 H56 Cl2 F36 Ir2 N12 -","- C109 H56 Cl2 F36 Ir2 N12 -","- C436 H224 Cl8 F144 Ir8 N48 -","4","0.5","","Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong","High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12243","12252","10.1039/c8dt02781a","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","229949","2020-10-21","18:00:00",""
"7047173","23.436","0.002","8.3954","0.0007","25.163","0.002","90","","90","","90","","4950.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C208 H272 N16 O32 -","8","1","","Wang, Gang; Xu, Cong; Wang, Li; Liu, Weisheng","Highly efficient 3d/4d-4f coordination polymer catalysts for carbon dioxide fixation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12711","12717","10.1039/c8dt02576b","","","0.71073","MoKα","","0.1052","0.0595","","","0.1092","0.1271","","","","","","1.052","","","","has coordinates,has disorder","229928","2020-10-21","18:00:00",""
"7047234","25.765","0.0008","8.8371","0.0003","35.7783","0.0011","90","","90","","90","","8146.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris[5-(pentafluorophenyl)dipyrrin]gallium(III)","","- C45 H18 F15 Ga N6 -","- C45 H18 F15 Ga N6 -","- C360 H144 F120 Ga8 N48 -","8","1","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","1.54178","CuKα","","0.0679","0.0477","","","0.1127","0.1234","","","","","","1.044","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047342","26.67","0.002","29.464","0.003","36.519","0.003","90","","90","","90","","28697","4","296","2","296.15","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C18 H60 As2 Cs2 K5 N6 Ni4 O93 P6 W12 -","- C18 H24 As2 Cs2 K5 N6 Ni4 O93 P6 W12 -","- C144 H192 As16 Cs16 K40 N48 Ni32 O744 P48 W96 -","8","1","","Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang","Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13479","13486","10.1039/c8dt02590h","","","0.71073","MoKα","","0.1242","0.0691","","","0.1679","0.211","","","","","","1.063","","","","has coordinates,has disorder","230013","2020-10-21","18:00:00",""
"7047370","14.0563","0.0005","7.5815","0.0002","14.9961","0.0005","90","","90","","90","","1598.1","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Bi Cl Co H2 O7 Se2 -","- Bi Cl Co H2 O7 Se2 -","- Bi8 Cl8 Co8 H16 O56 Se16 -","8","1","","Geng, Lei; Wang, Hao; Li, Qiang; Lu, Hong-Yan; Li, Guo-Bao","Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)Cl (M = Co, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13466","13471","10.1039/c8dt02354a","","","0.71073","MoKα","","0.0132","0.0122","","","0.0304","0.0307","","","","","","1.045","","","","has coordinates","230012","2020-10-21","18:00:00",""
"7047371","14.0827","0.0004","7.5752","0.0002","14.8604","0.0004","90","","90","","90","","1585.3","0.07","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Bi Cl H2 Ni O7 Se2 -","- Bi Cl H2 Ni O7 Se2 -","- Bi8 Cl8 H16 Ni8 O56 Se16 -","8","1","","Geng, Lei; Wang, Hao; Li, Qiang; Lu, Hong-Yan; Li, Guo-Bao","Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)Cl (M = Co, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13466","13471","10.1039/c8dt02354a","","","0.71073","MoKα","","0.0135","0.0129","","","0.033","0.0333","","","","","","1.02","","","","has coordinates","230012","2020-10-21","18:00:00",""
"7047372","14.5757","0.0005","7.3706","0.0002","14.6563","0.0005","90","","90","","90","","1574.55","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Bi Cl Cu H2 O7 Se2 -","- Bi Cl Cu H2 O7 Se2 -","- Bi8 Cl8 Cu8 H16 O56 Se16 -","8","1","","Geng, Lei; Wang, Hao; Li, Qiang; Lu, Hong-Yan; Li, Guo-Bao","Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)Cl (M = Co, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13466","13471","10.1039/c8dt02354a","","","0.71073","MoKα","","0.0325","0.0272","","","0.0809","0.0853","","","","","","1.061","","","","has coordinates","230012","2020-10-21","18:00:00",""
"7047417","7.644","0.005","17.654","0.005","22.775","0.005","90","0.005","90","0.005","90","0.005","3073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 Ni O2 -","- C18 H18 N2 Ni O2 -","- C144 H144 N16 Ni8 O16 -","8","1","","Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh","Tri- and hexa-nuclear Ni<sup>II</sup>-Mn<sup>II</sup> complexes of a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13957","13971","10.1039/c8dt02962h","","","0.71073","MoKα","","0.0605","0.0377","","","0.0867","0.095","","","","","","1.017","","","","has coordinates","229509","2020-10-21","18:00:00",""
"7047433","16.4882","0.0004","10.665","0.0003","24.9547","0.0007","90","","90","","90","","4388.2","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl3 Cu N2 O3 -","- C21 H19 Cl3 Cu N2 O3 -","- C168 H152 Cl24 Cu8 N16 O24 -","8","1","","Barwiolek, Magdalena; Szlyk, Edward; Kozakiewicz, Anna; Muziol, Tadeusz; Bieńko, Alina; Jezierska, Julia","X-ray structure and magnetic and fluorescence characteristics of new Cu(ii) complexes with Schiff bases derived from 2-(2-aminoethyl)pyridine and 2-hydroxy-1-naphthaldehyde; morphology and fluorescence of their thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13902","13912","10.1039/c8dt03208d","","","0.71073","MoKα","","0.0556","0.0348","","","0.0798","0.0888","","","","","","1.038","","","","has coordinates,has disorder","229503","2020-10-21","18:00:00",""
"7047459","15.4865","0.0006","15.5796","0.0006","18.0757","0.0009","90","","90","","90","","4361.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 O3 P Re -","- C26 H20 O3 P Re -","- C208 H160 O24 P8 Re8 -","8","1","","Muñoz-Osses, Michelle; Siegmund, Daniel; Gómez, Alejandra; Godoy, Fernando; Fierro, Angélica; Llanos, Leonel; Aravena, Daniel; Metzler-Nolte, Nils","Influence of the substituent on the phosphine ligand in novel rhenium(i) aldehydes. Synthesis, computational studies and first insights into the antiproliferative activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13861","13869","10.1039/c8dt03160f","","","0.71073","MoKα","","0.038","0.0286","","","0.066","0.0739","","","","","","1.17","","","","has coordinates","229504","2020-10-21","18:00:00",""
"7047545","9.102","0.0016","16.434","0.003","33.454","0.006","90","","90","","90","","5004.1","1.6","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[CoTPAP(Cl)]","[CoTPAP(Cl)]","","- C24 H30 Cl Co N7 P -","- C24 H30 Cl Co N7 P -","- C192 H240 Cl8 Co8 N56 P8 -","8","1","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","0.71073","MoKα","","0.0387","0.0315","","","0.0745","0.0776","","","","","","1.052","","","","has coordinates","229513","2020-10-21","18:00:00",""
"7047597","10.0753","0.0002","20.7893","0.0006","31.3879","0.0008","90","","90","","90","","6574.5","0.3","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H33 B N6 O2 Se2 W -","- C32 H33 B N6 O2 Se2 W -","- C256 H264 B8 N48 O16 Se16 W8 -","8","1","","Hill, Anthony F.; Manzano, Richard A.; Ward, Jas S.","Synthesis and reactivity of selenium functionalised allylidynes and propargylidynes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14621","14629","10.1039/c8dt02370k","","x-ray","0.71073","MoKα","","0.1112","0.0941","","","0.2072","0.2145","","","","","","1.251","","","","has coordinates","229355","2020-10-21","18:00:00",""
"7047601","9.4779","0.0008","19.2235","0.0017","28.921","0.002","90","","90","","90","","5269.4","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 Cl Mn N4 O2 -","- C30 H30 Cl Mn N4 O2 -","- C240 H240 Cl8 Mn8 N32 O16 -","8","1","","Kumari, Babli; Kundu, Samapti; Ghosh, Kajari; Banerjee, Mahuya; Pradhan, Swapan Kumar; Islam, Sk Manirul; Brandão, Paula; Félix, Vítor; Das, Debasis","Exploring (bio)catalytic activities of structurally characterised Cu(ii) and Mn(iii) complexes: histidine recognition and photocatalytic application of Cu(ii) complex and derived CuO nano-cubes.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14008","14016","10.1039/c8dt03007c","","","0.71073","MoKα","","0.1234","0.0452","","","0.0843","0.1115","","","","","","1.004","","","","has coordinates","229496","2020-10-21","18:00:00",""
"7047637","15.4514","0.0006","17.2509","0.0005","30.472","0.0009","90","","90","","90","","8122.3","0.5","150","2","150","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C34 H32 Cl6 F6 Fe N2 P Pd Sb -","- C34 H32 Cl6 F6 Fe N2 P Pd Sb -","- C272 H256 Cl48 F48 Fe8 N16 P8 Pd8 Sb8 -","8","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0404","0.0294","","","0.0646","0.0695","","","","","","1.019","","","","has coordinates,has disorder","229967","2020-10-21","18:00:00",""
"7047676","9.8173","0.0005","18.7393","0.001","24.5585","0.0013","90","","90","","90","","4518","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H58 Co N2 O4 -","- C54 H58 Co N2 O4 -","- C216 H232 Co4 N8 O16 -","4","0.5","","Piskunov, Alexandr V.; Pashanova, Kira I.; Bogomyakov, Artem S.; Smolyaninov, Ivan V.; Starikov, Andrey G.; Fukin, Georgy K.","Cobalt complexes with hemilabile o-iminobenzoquinonate ligands: a novel example of redox-induced electron transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15049","15060","10.1039/c8dt02733a","","","0.71073","MoKα","","0.042","0.0361","","","0.0934","0.0964","","","","","","1.038","","","","has coordinates","229486","2020-10-21","18:00:00",""
"7047726","15.866","0.0008","14.5267","0.0007","22.0264","0.0011","90","","90","","90","","5076.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cu N3 O2 -","- C28 H33 Cu N3 O2 -","- C224 H264 Cu8 N24 O16 -","8","1","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0835","0.047","","","0.1103","0.1261","","","","","","1.013","","","","has coordinates,has disorder","229446","2020-10-21","18:00:00",""
"7047740","19.6096","0.0011","17.4627","0.001","23.4976","0.0013","90","","90","","90","","8046.4","0.8","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Cl F6 Ir O P3 -","- C41 H43 Cl F6 Ir O P3 -","- C328 H344 Cl8 F48 Ir8 O8 P24 -","8","1","","Li, JuanJuan; Tian, Zhenzhen; Xu, Zhishan; Zhang, Shumiao; Feng, Yaqian; Zhang, Lingdong; Liu, Zhe","Highly potent half-sandwich iridium and ruthenium complexes as lysosome-targeted imaging and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15772","15782","10.1039/c8dt02963f","","","0.71073","MoKα","","0.061","0.048","","","0.11","0.115","","","","","","1.141","","","","has coordinates","229274","2020-10-21","18:00:00",""
"7047744","10.0756","0.0012","12.0992","0.0017","25.28","0.004","90","","90","","90","","3081.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H21 Ir O P2 -","- C13 H21 Ir O P2 -","- C104 H168 Ir8 O8 P16 -","8","1","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","x-ray","0.71073","MoKα","","0.0727","0.0329","","","0.0571","0.0721","","","","","","1.077","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047789","15.0218","0.0008","11.1523","0.0005","31.38","0.0016","90","","90","","90","","5257","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H64 Cu4 N12 O15 -","- C40 H64 Cu4 N12 O15 -","- C160 H256 Cu16 N48 O60 -","4","0.5","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0764","0.0618","","","0.1362","0.1418","","","","","","1.16","","","","has coordinates,has disorder","229960","2020-10-21","18:00:00",""
"7047880","8.5902","0.0001","15.6586","0.0003","32.0807","0.0005","90","","90","","90","","4315.19","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl2 Cu2 P3 -","- C15 H33 Cl2 Cu2 P3 -","- C120 H264 Cl16 Cu16 P24 -","8","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0727","0.0489","","","0.0983","0.109","","","","","","1.023","","","","has coordinates,has disorder","229955","2020-10-21","18:00:00",""
"7047891","12.5312","0.0003","12.19","0.0003","22.246","0.0006","90","","90","","90","","3398.2","0.15","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H19 I N2 Ni S2 -","- C16 H19 I N2 Ni S2 -","- C128 H152 I8 N16 Ni8 S16 -","8","1","","Hosseini-Kharat, Mahboubeh; Zargarian, Davit; Alizadeh, Ali Mohammad; Karami, Kazem; Saeidifar, Maryam; Khalighfard, Solmaz; Dubrulle, Laurent; Zakariazadeh, Mostafa; Cloutier, Jean-Philippe; Sohrabijam, Zahra","In vitro and in vivo antiproliferative activity of organo-nickel SCS-pincer complexes on estrogen responsive MCF7 and MC4L2 breast cancer cells. Effects of amine fragment substitutions on BSA binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16944","16957","10.1039/c8dt03079k","","","1.34139","GaKα","","0.0492","0.0439","","","0.1153","0.1218","","","","","","1.054","","","","has coordinates","229695","2020-10-21","18:00:00",""
"7047913","14.6496","0.0011","7.5253","0.0006","20.2225","0.0015","90","","90","","90","","2229.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn N10 -","- C8 H6 Mn N10 -","- C64 H48 Mn8 N80 -","8","1","","Zhang, Zu-Zhen; Lee, Gene-Hsiang; Yang, Chen-I","The use of a semi-flexible bipyrimidyl ligand for the construction of azide-based coordination polymers: structural diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16709","16722","10.1039/c8dt03928c","","","0.71073","MoKα","","0.044","0.0297","","","0.0646","0.0709","","","","","","1.029","","","","has coordinates","229649","2020-10-21","18:00:00",""
"7047947","8.47444","0.00006","13.56258","0.00009","8.57401","0.00006","90","","90","","90","","985.456","0.012","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B4 H20 N2 Sr -","- B4 H20 N2 Sr -","- B16 H80 N8 Sr4 -","4","0.5","","Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.","Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16737","16746","10.1039/c8dt03654c","powder diffraction","","0.69449","Synchrotron","","","","","","","","","2.2128","","","","","","","","has coordinates","229630","2020-10-21","18:00:00",""
"7048014","20.0605","0.001","13.1557","0.0006","30.6755","0.0015","90","","90","","90","","8095.6","0.7","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C88 H68 F18 Ir2 N10 O4 -","- C88 H68 F18 Ir2 N10 O4 -","- C352 H272 F72 Ir8 N40 O16 -","4","0.5","","Congrave, Daniel G.; Batsanov, Andrei S.; Bryce, Martin R.","Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16524","16533","10.1039/c8dt04043e","","x-ray","0.71073","MoKα","","0.061","0.0378","","","0.0738","0.0813","","","","","","1.077","","","","has coordinates,has disorder","229653","2020-10-21","18:00:00",""
"7048019","24.1425","0.0011","14.5319","0.0007","24.5279","0.0012","90","","90","","90","","8605.3","0.7","170","","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H45 F6 N11 O3 S Sn -","- C39 H45 F6 N11 O3 S Sn -","- C312 H360 F48 N88 O24 S8 Sn8 -","8","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Zijlstra, Harmen S.; Macdonald, Charles L. B.; McIndoe, J. Scott; Burford, Neil","Synthesis, characterization and mass-spectrometric analysis of [LSn(IV)F<sub>4-x</sub>]<sup>x+</sup> salts [L = tris ((1-ethyl-benzoimidazol-2-yl)methyl)amine, x = 1-4].","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16729","16736","10.1039/c8dt03908a","","","0.71073","MoKα","","0.1028","0.0602","","","0.1241","0.1648","","","","","","1.239","","","","has coordinates,has disorder","229648","2020-10-21","18:00:00",""
"7048061","10.0603","0.0004","11.0336","0.0005","22.1907","0.0008","90","","90","","90","","2463.2","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide","","- C12 H10 N6 S -","- C12 H10 N6 S -","- C96 H80 N48 S8 -","8","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0769","0.0481","","","0.0942","0.1032","","","","","","1.048","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048072","7.356","0.002","15.611","0.005","21.49","0.007","90","","90","","90","","2467.8","1.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(N‒Phenyl‒N'‒quinoxalin‒2‒ylmethylene‒hydrazine)","","- C15 H12 N4 -","- C15 H12 N4 -","- C120 H96 N32 -","8","1","","Bag, Riya; Sikdar, Yeasin; Sahu, Sutapa; Maiti, Dilip K.; Frontera, Antonio; Bauzá, Antonio; Drew, Michael G. B.; Goswami, Sanchita","A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17077","17085","10.1039/c8dt02449a","","","0.71073","MoKα","","0.0858","0.0479","","","0.1331","0.1596","","","","","","0.964","","","","has coordinates","229690","2020-10-21","18:00:00",""
"7048112","14.0995","0.0004","16.9713","0.0006","25.9304","0.0008","90","","90","","90","","6204.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 Cu2 Dy2 N10 O18 -","- C64 H56 Cu2 Dy2 N10 O18 -","- C256 H224 Cu8 Dy8 N40 O72 -","4","0.5","","Kumar, Prashant; Griffiths, Kieran; Anson, Christopher E.; Powell, Annie K.; Kostakis, George E.","A tetranuclear CuDy coordination cluster as a Suzuki (C-C) coupling reaction promoter.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17202","17205","10.1039/c8dt04371j","","x-ray","1.54184","CuKα","","0.0767","0.0522","","","0.1183","0.135","","","","","","1.045","","","","has coordinates","229713","2020-10-21","18:00:00",""
"7048122","12.2564","0.0003","15.461","0.0004","27.1428","0.0007","90","","90","","90","","5143.5","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H31 F6 N2 Ni P S -","- C23 H31 F6 N2 Ni P S -","- C184 H248 F48 N16 Ni8 P8 S8 -","8","1","","Ulm, Franck; Poblador-Bahamonde, Amalia I; Choppin, Sabine; Bellemin-Laponnaz, Stéphane; Chetcuti, Michael J.; Achard, Thierry; Ritleng, Vincent","Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-C)- and hemilabile (κ<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17134","17145","10.1039/c8dt03882a","","","0.71073","MoKα","","0.0638","0.0377","","","0.0791","0.0924","","","","","","1.082","","","","has coordinates","229677","2020-10-21","18:00:00",""
"7048133","35.1941","0.0015","19.0227","0.0006","38.5627","0.0011","90","","90","","90","","25817.2","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C159 H146 B4 Fe2 N12 O3 -","- C159 H146 B4 Fe2 N12 O3 -","- C1272 H1168 B32 Fe16 N96 O24 -","8","1","","Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei","Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","231","241","10.1039/c8dt03584a","","","0.71073","MoKα","","0.1267","0.0998","","","0.3002","0.3262","","","","","","1.013","","","","has coordinates,has disorder","223931","2020-10-21","18:00:00",""
"7048194","8.4653","0.0007","10.9589","0.0007","30.08","0.003","90","","90","","90","","2790.5","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.0749","0.0552","","","0.1362","0.1507","","","","","","1.087","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048243","13.3878","0.0011","16.5415","0.0009","25.3837","0.0014","90","","90","","90","","5621.3","0.6","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H30 B N6 O4 P Ru S3 -","- C19 H30 B N6 O4 P Ru S3 -","- C152 H240 B8 N48 O32 P8 Ru8 S24 -","8","1","","Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.","Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","209","219","10.1039/c8dt04278k","","","1.54178","CuKα","","0.0713","0.0532","","","0.1343","0.147","","","","","","1.038","","","","has coordinates,has disorder","223947","2020-10-21","18:00:00",""
"7048278","9.6795","0.0011","14.4187","0.0016","25.494","0.003","90","","90","","90","","3558.1","0.7","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Co N4 O3 -","- C19 H18 Co N4 O3 -","- C152 H144 Co8 N32 O24 -","8","1","","Mitsuhashi, Ryoji; Hosoya, Satoshi; Suzuki, Takayoshi; Sunatsuki, Yukinari; Sakiyama, Hiroshi; Mikuriya, Masahiro","Hydrogen-bonding interactions and magnetic relaxation dynamics in tetracoordinated cobalt(ii) single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","395","399","10.1039/c8dt04537b","","","0.71073","MoKα","","0.0488","0.0363","","","0.0905","0.0946","","","","","","1.059","","","","has coordinates","224125","2020-10-21","18:00:00",""
"7048421","11.2074","0.0003","22.0029","0.0006","27.0385","0.0009","90","","90","","90","","6667.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B2 O4 -","- C34 H50 B2 O4 -","- C272 H400 B16 O32 -","8","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.1071","0.0868","","","0.2234","0.2391","","","","","","0.955","","","","has coordinates,has disorder","265213","2021-05-14","09:16:02",""
"7048478","15.2841","0.0003","12.1249","0.0003","15.5256","0.0003","90","","90","","90","","2877.18","0.11","90","0.2","90","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Au Cl3 N2 O4 -","- C12 H8 Au Cl3 N2 O4 -","- C96 H64 Au8 Cl24 N16 O32 -","8","1","","Mertens, R. Tyler; Kim, Jong Hyun; Jennings, Will C.; Parkin, Sean; Awuah, Samuel G.","Revisiting the reactivity of tetrachloroauric acid with N,N-bidentate ligands: structural and spectroscopic insights.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2093","2099","10.1039/c8dt04960b","","","0.71073","MoKα","","0.0137","0.0122","","","0.0256","0.0261","","","","","","1.096","","","","has coordinates","224163","2020-10-21","18:00:00",""
"7048497","8.5565","0.0001","18.5822","0.0002","36.1544","0.0003","90","","90","","90","","5748.5","0.1","150","","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H33 B N4 O P2 Ru S2 -","- C25 H33 B N4 O P2 Ru S2 -","- C200 H264 B8 N32 O8 P16 Ru8 S16 -","8","1","","Ma, Chenxi; Hill, Anthony F.","Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","1976","1992","10.1039/c8dt04813d","","","1.54184","CuKα","","0.0396","0.0388","","0.0979","0.0976","0.0979","","","","","","1.0876","","","","has coordinates","224146","2020-10-21","18:00:00",""
"7048510","15.7488","0.001","10.253","0.0006","18.1104","0.0011","90","","90","","90","","2924.3","0.3","100.15","","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F12 N6 O4 P2 Ru S6 -","- C16 H14 F12 N6 O4 P2 Ru S6 -","- C64 H56 F48 N24 O16 P8 Ru4 S24 -","4","0.5","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.0271","0.0228","","","0.0602","0.062","","","","","","1.042","","","","has coordinates","224090","2020-10-21","18:00:00",""
"7048514","12.8317","0.0008","15.276","0.001","36.552","0.002","90","","90","","90","","7164.8","0.8","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H20 F12.2 N6 O2 P2 Ru S3 -","- C30 H20 F12.196 N6 O2 P2 Ru S3 -","- C240 H160 F97.568 N48 O16 P16 Ru8 S24 -","8","1","","Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.","Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1263","1274","10.1039/c8dt04588g","","","0.71073","MoKα","","0.07","0.0588","","","0.1358","0.141","","","","","","1.122","","","","has coordinates,has disorder","224090","2020-10-21","18:00:00",""
"7048537","16.9775","0.0003","19.4673","0.0003","20.6194","0.0004","90","","90","","90","","6814.8","0.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mg{HC(tBupz)2SiMe2NiPr}Me","","- C29 H55 Mg N5 Si -","- C29 H55 Mg N5 Si -","- C232 H440 Mg8 N40 Si8 -","8","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0856","0.0379","","0.0888","0.0428","0.0428","","","","","","1.1009","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048564","21.9238","0.0018","6.6867","0.0005","22.2697","0.0017","90","","90","","90","","3264.7","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cu N3 O9 S -","- C10 H17 Cu N3 O9 S -","- C80 H136 Cu8 N24 O72 S8 -","8","1","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Arylhydrazone ligands as Cu-protectors and -catalysis promoters in the azide-alkyne cycloaddition reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1774","1785","10.1039/c8dt04771e","","","0.71073","MoKα","","0.0733","0.042","","","0.1036","0.1263","","","","","","1.089","","","","has coordinates","223996","2020-10-21","18:00:00",""
"7048569","22.8836","0.0006","12.2462","0.0003","45.2221","0.0012","90","","90","","90","","12672.9","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(MeClamp)Ti . 2 CH3CN","κ6-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]titanium(IV) diacetonitrile solvate","","- C67 H84 N6 O3 Ti -","- C67 H84 N6 O3 Ti -","- C536 H672 N48 O24 Ti8 -","8","1","","Marshall-Roth, Travis; Yao, Kun; Parkhill, John A.; Brown, Seth N.","On the border between localization and delocalization: tris(iminoxolene)titanium(iv).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1427","1435","10.1039/c8dt04528c","","","1.54178","CuKα","","0.0421","0.0406","","","0.1106","0.1118","","","","","","1.039","","","","has coordinates,has disorder","224073","2020-10-21","18:00:00",""
"7048601","15.3294","0.0006","15.1363","0.0006","18.3583","0.0007","90","","90","","90","","4259.7","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Br N2 P -","- C24 H24 Br N2 P -","- C192 H192 Br8 N16 P8 -","8","1","","Taakili, Rachid; Lepetit, Christine; Duhayon, Carine; Valyaev, Dmitry A.; Lugan, Noël; Canac, Yves","Palladium(ii) pincer complexes of a C,C,C-NHC, diphosphonium bis(ylide) ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1709","1721","10.1039/c8dt04316g","","","0.71073","MoKα","","0.0309","0.0252","","0.0331","0.0251","0.0243","","","","","","1.0921","","","","has coordinates","223998","2020-10-21","18:00:00",""
"7048685","26.9513","0.0009","17.2697","0.0006","11.1949","0.0003","90","","90","","90","","5210.6","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H35 I3 Mo N P2 -","- C19 H35 I3 Mo N P2 -","- C152 H280 I24 Mo8 N8 P16 -","8","1","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.0843","0.072","","","0.1694","0.1763","","","","","","1","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7048763","20.745","0.003","16.854","0.003","28.794","0.005","90","","90","","90","","10067","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H76 K Mg N2 O3 -","- C54 H68 K Mg N2 O3 -","- C432 H544 K8 Mg8 N16 O24 -","8","1","","Ma, Meimei; Wang, Huanhuan; Wang, Juju; Shen, Lingyi; Zhao, Yanxia; Xu, Wen-Hua; Wu, Biao; Yang, Xiao-Juan","Mg-Mg-bonded compounds with N,N'-dipp-substituted phenanthrene-diamido and o-phenylene-diamino ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2295","2299","10.1039/c9dt00028c","","","0.71073","MoKα","","0.0855","0.0623","","","0.1629","0.1821","","","","","","1.116","","","","has coordinates","224307","2020-10-21","18:00:00",""
"7048814","15.01","0.002","12.9027","0.0019","20.065","0.003","90","","90","","90","","3886","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Cl2 N4 O2 Zn -","- C15 H24 Cl2 N4 O2 Zn -","- C120 H192 Cl16 N32 O16 Zn8 -","8","1","","Schäfer, Pascal M; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth D.; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka N.; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja","Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6071","6082","10.1039/c8dt04938f","","","0.71073","MoKα","","0.049","0.0359","","","0.0817","0.0877","","","","","","1.038","","","","has coordinates","224421","2020-10-21","18:00:00",""
"7048843","7.261","0.003","8.769","0.004","21.82","0.008","90","","90","","90","","1389.3","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Thorium molybdate iodate","","","- F I Mo O7 Th -","- F I Mo O7 Th -","- F8 I8 Mo8 O56 Th8 -","8","1","","Lin, Jian; Liu, Qi; Yue, Zenghui; Diefenbach, Kariem; Cheng, Liwei; Lin, Yuejian; Wang, Jian-Qiang","Expansion of the structural diversity of f-element bearing molybdate iodates: synthesis, structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4823","4829","10.1039/c8dt05120h","","","0.71073","MoKα","","0.0417","0.0343","","","0.0902","0.0928","","","","","","1.2","","","","has coordinates","224390","2020-10-21","18:00:00",""
"7048900","12.0092","0.0002","22.8477","0.0005","31.5357","0.0006","90","","90","","90","","8652.8","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46.5 H67 Cl2 Ge N3 Rh2 -","- C46.5 H67 Cl2 Ge N3 Rh2 -","- C372 H536 Cl16 Ge8 N24 Rh16 -","8","1","","Su, Bochao; Ota, Kei; Li, Yongxin; Kinjo, Rei","Germylone-bridged bimetallic Ir and Rh complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3555","3559","10.1039/c9dt00145j","","","0.71073","MoKα","","0.0787","0.0428","","","0.0736","0.0872","","","","","","1.041","","","","has coordinates,has disorder","224533","2020-10-21","18:00:00",""
"7048913","20.681","0.004","20.544","0.004","25.33","0.005","90","","90","","90","","10762","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56.2 H50.4 B Cl2.4 F10 O2 P -","- C56.2 H50.4 B Cl2.4 F10 O2 P -","- C449.6 H403.2 B8 Cl19.2 F80 O16 P8 -","8","1","","Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon","Reversible O-H bond activation by an intramolecular frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","2896","2899","10.1039/c9dt00228f","","","1.54184","CuKα","","0.0932","0.08","","","0.2223","0.2399","","","","","","1.048","","","","has coordinates,has disorder","224329","2020-10-21","18:00:00",""
"7048936","13.4341","0.0003","8.8483","0.0002","15.6056","0.0003","90","","90","","90","","1855.02","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H3 K N6 O4 -","- C5 H3 K N6 O4 -","- C40 H24 K8 N48 O32 -","8","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3237","3242","10.1039/c8dt05071f","","","1.54178","CuKα","","0.0303","0.0278","","","0.072","0.074","","","","","","1.038","","","","has coordinates","223803","2020-10-21","18:00:00",""
"7048962","16.4558","0.0002","13.84247","0.00015","18.8277","0.0003","90","","90","","90","","4288.74","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Mo N4 O7 -","- C18 H26 Mo N4 O7 -","- C144 H208 Mo8 N32 O56 -","8","1","","Guo, Haiyang; Gong, Chunhua; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Isopolymolybdate-based inorganic-organic hybrid compounds constructed by multidentate N-donor ligands: syntheses, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5541","5550","10.1039/c9dt00119k","","x-ray","1.54184","CuKα","","0.0373","0.0306","","","0.0818","0.0875","","","","","","1.023","","","","has coordinates","224097","2020-10-21","18:00:00",""
"7048991","13.40689","0.00016","15.13771","0.00019","35.2684","0.0005","90","","90","","90","","7157.71","0.16","183","1","183","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H7 Au Cl F8 N O -","- C18 H7 Au Cl F8 N O -","- C288 H112 Au16 Cl16 F128 N16 O16 -","16","2","","Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik","Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7320","7330","10.1039/c8dt05034a","","x-ray","0.71073","MoKα","","0.0302","0.0232","","","0.0517","0.0545","","","","","","1.077","","","","has coordinates","224462","2020-10-21","18:00:00",""
"7049040","13.8285","0.0004","8.9016","0.0003","27.5841","0.0009","90","","90","","90","","3395.49","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Dy2 N4 O24 -","- C22 H26 Dy2 N4 O24 -","- C88 H104 Dy8 N16 O96 -","4","0.5","","Sran, Balkaran Singh; Gonzalez, Jessica Flores; Montigaud, Vincent; Le Guennic, Boris; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural and magnetic investigations of a binuclear coordination compound of dysprosium(iii) dinitrobenzoate.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3922","3929","10.1039/c8dt04253e","","","0.71073","MoKα","","0.0472","0.0286","","","0.0708","0.0791","","","","","","1.064","","","","has coordinates","224577","2020-10-21","18:00:00",""
"7049086","13.1641","0.0006","15.8672","0.0007","17.2994","0.0007","90","","90","","90","","3613.5","0.3","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-cyanobenzyldi(2-pyridyl)aminedibromoplatinum(II)","","- C18 H14 Br2 N4 Pt -","- C18 H14 Br2 N4 Pt -","- C144 H112 Br16 N32 Pt8 -","8","1","","Bulatov, Evgeny; Haukka, Matti","Non-conventional synthesis and photophysical studies of platinum(ii) complexes with methylene bridged 2,2'-dipyridylamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3369","3379","10.1039/c8dt03912g","","x-ray","0.71073","MoKα","","0.0496","0.0289","","","0.0411","0.0462","","","","","","0.98","","","","has coordinates","223810","2020-10-21","18:00:00",""
"7049131","22.6899","0.0005","25.2258","0.0005","26.5373","0.0005","90","","90","","90","","15189.2","0.5","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C86 H84 N6 O10 Sm2 -","- C86 H84 N6 O10 Sm2 -","- C688 H672 N48 O80 Sm16 -","8","1","","Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold","Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3893","3905","10.1039/c9dt00292h","","","0.71073","MoKα","","0.0548","0.0416","","","0.1137","0.1208","","","","","","1.12","","","","has coordinates","224576","2020-10-21","18:00:00",""
"7049132","22.7767","0.0008","25.1415","0.0011","26.5012","0.001","90","","90","","90","","15175.7","1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C86 H84 Gd2 N6 O10 -","- C86 H84 Gd2 N6 O10 -","- C688 H672 Gd16 N48 O80 -","8","1","","Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold","Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3893","3905","10.1039/c9dt00292h","","","0.71073","MoKα","","0.0848","0.0485","","","0.116","0.1325","","","","","","0.876","","","","has coordinates","224576","2020-10-21","18:00:00",""
"7049158","18.612","0.004","27.311","0.006","30.616","0.006","90","","90","","90","","15562","6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H99.06 Mn N Na2 O6 -","- C75 H99.054 Mn N Na2 O6 -","- C600 H792.432 Mn8 N8 Na16 O48 -","8","1","","Bae, Dae Young; Park, Gyeong Su; Ko, Nakeun; Son, Kyung-sun; Lee, Eunsung","First-row early transition metal complexes with a highly sterically demanding triisopropylphenyl amino triphenolate ligand: synthesis and applications","Dalton Transactions","2019","","","","","10.1039/C9DT00456D","","","0.7","synchrotron","","0.1038","0.0682","","","0.2089","0.2275","","","","","","1.066","","","","has coordinates,has disorder","213865","2020-10-21","18:00:00",""
"7049188","14.7656","0.0004","24.5786","0.0007","31.6576","0.0007","90","","90","","90","","11489.1","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H47 N Ru2 Si2 -","- C26 H47 N Ru2 Si2 -","- C416 H752 N16 Ru32 Si32 -","16","2","","Peters, Marius; Bannenberg, Thomas; Bockfeld, Dirk; Tamm, Matthias","Pentamethylcyclopentadienyl ruthenium ""pogo stick"" complexes with nitrogen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4228","4238","10.1039/c9dt00577c","","","1.54184","CuKα","","0.036","0.0282","","","0.0644","0.0686","","","","","","1.04","","","","has coordinates","224265","2020-10-21","18:00:00",""
"7049209","24.539","0.007","13.947","0.004","36.45","0.01","90","","90","","90","","12475","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H38 Cu4 I4 N6 -","- C61 H38 Cu4 I4 N6 -","- C488 H304 Cu32 I32 N48 -","8","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.1385","0.1127","","","0.353","0.3695","","","","","","1.096","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049213","24.539","0.007","13.947","0.004","36.45","0.01","90","","90","","90","","12475","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H30 Cu4 I4 N6 -","- C54 H30 Cu4 I4 N6 -","- C432 H240 Cu32 I32 N48 -","8","1","","Tzeng, Biing-Chiau; Lin, Jun-Fu","Crystal-engineering and luminescence studies of 1,3,5-tris(3-pyridylethynyl)benzene or 1,3,5-tris(4-pyridylethynyl)benzene with copper(i) iodides.","Dalton transactions (Cambridge, England : 2003)","2019","48","12","4046","4057","10.1039/c8dt04904a","","","0.71073","MoKα","","0.1171","0.0955","","","0.2772","0.2909","","","","","","1.036","","","","has coordinates","224569","2020-10-21","18:00:00",""
"7049316","19.0738","0.0007","10.093","0.0004","35.0786","0.0013","90","","90","","90","","6753","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Al N2 O3 P -","- C33 H46 Al N2 O3 P -","- C264 H368 Al8 N16 O24 P8 -","8","1","","Mei, Yanbo; Borger, Jaap E.; Wu, Dong-Jun; Grützmacher, Hansjörg","Salen supported Al-O-C[triple bond, length as m-dash]P and Ga-P[double bond, length as m-dash]C[double bond, length as m-dash]O complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4370","4374","10.1039/c9dt00485h","","","0.71073","MoKα","","0.0653","0.0472","","","0.1151","0.1232","","","","","","1.082","","","","has coordinates","224280","2020-10-21","18:00:00",""
"7049346","20.7929","0.0017","10.5688","0.0008","22.0184","0.0018","90","","90","","90","","4838.7","0.7","293","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Co N2 -","- C29 H36 Co N2 -","- C232 H288 Co8 N16 -","8","1","","Gao, Yafei; Chen, Qi; Leng, Xuebing; Deng, Liang","Cyclometallation reactions of a three-coordinate cobalt(i) complex bearing a nonsymmetric N-heterocyclic carbene ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9676","9683","10.1039/c9dt00731h","","","0.71073","MoKα","","0.1142","0.0964","","","0.1663","0.1748","","","","","","1.192","","","","has coordinates,has disorder","224066","2020-10-21","18:00:00",""
"7049372","16.8909","0.0003","10.8298","0.0003","39.2281","0.0014","90","","90","","90","","7175.8","0.3","120","2","120","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H38 Cu N10 O6 -","- C39 H38 Cu N10 O6 -","- C312 H304 Cu8 N80 O48 -","8","1","","Garau, Alessandra; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Conti, Luca; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Mariani, Palma; Scorciapino, Mariano Andrea","[9]aneN<sub>3</sub>-based fluorescent receptors for metal ion sensing, featuring urea and amide functional groups.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4949","4960","10.1039/c9dt00288j","","x-ray","1.54184","CuKα","","0.1031","0.0981","","","0.2177","0.2196","","","","","","1.188","","","","has coordinates","224379","2020-10-21","18:00:00",""
"7049385","9.789","0.006","15.693","0.009","25.897","0.015","90","","90","","90","","3978","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Pd{?1-NIM-[N-(diphenylboryl)picolinaldimine]}Cl(C3H5)].","","- C21 H20 B Cl N2 Pd -","- C21 H20 B Cl N2 Pd -","- C168 H160 B8 Cl8 N16 Pd8 -","8","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.059","0.0378","","","0.0746","0.0811","","","","","","1.061","","","","has coordinates,has disorder","224106","2020-10-21","18:00:00",""
"7049443","11.4139","0.0014","21.797","0.003","26.842","0.003","90","","90","","90","","6678","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H35 N4 O3 P Zn -","- C40 H35 N4 O3 P Zn -","- C320 H280 N32 O24 P8 Zn8 -","8","1","","Nefedov, Sergey E.; Birin, Kirill P.; Bessmertnykh-Lemeune, Alla; Enakieva, Yulia Y.; Sinelshchikova, Anna A.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Stern, Christine; Fang, Yuanyuan; Kadish, Karl M.","Coordination self-assembly through weak interactions in meso-dialkoxyphosphoryl-substituted zinc porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5372","5383","10.1039/c9dt00706g","","","0.71073","MoKα","","0.1366","0.0736","","","0.1661","0.1946","","","","","","1.147","","","","has coordinates,has disorder","224192","2020-10-21","18:00:00",""
"7049462","19.5223","0.0011","8.1342","0.0005","25.662","0.0014","90","","90","","90","","4075.1","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl I2 N O Ru -","- C19 H17 Cl I2 N O Ru -","- C152 H136 Cl8 I16 N8 O8 Ru8 -","8","1","","Meng, Ting; Qin, Qi-Pin; Chen, Zi-Lu; Zou, Hua-Hong; Wang, Kai; Liang, Fu-Pei","Discovery of high in vitro and in vivo antitumor activities of organometallic ruthenium(ii)-arene complexes with 5,7-dihalogenated-2-methyl-8-quinolinol.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5352","5360","10.1039/c9dt00866g","","","0.71073","MoKα","","0.146","0.0597","","","0.0979","0.1194","","","","","","1.067","","","","has coordinates","224196","2020-10-21","18:00:00",""
"7049474","13.9819","0.0009","13.663","0.0007","14.262","0.0009","90","","90","","90","","2724.5","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H38 I2 Mg2 O4 Si2 -","- C14 H38 I2 Mg2 O4 Si2 -","- C56 H152 I8 Mg8 O16 Si8 -","4","0.5","","Chlupatý, Tomáš; Bílek, Michal; Merna, Jan; Brus, Jiří; RůŽičková, Zdeňka; Strassner, Thomas; RůŽička, Aleš","The addition of Grignard reagents to carbodiimides. The synthesis, structure and potential utilization of magnesium amidinates.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5335","5342","10.1039/c9dt00880b","","","0.71073","MoKα","","0.0665","0.0587","","","0.1412","0.1466","","","","","","1.128","","","","has coordinates,has disorder","224193","2020-10-21","18:00:00",""
"7049482","13.5906","0.0005","15.3623","0.0006","16.9588","0.0006","90","","90","","90","","3540.7","0.2","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Ag F5 N2 O4 S -","- C14 H10 Ag F5 N2 O4 S -","- C112 H80 Ag8 F40 N16 O32 S8 -","8","1","","Qin, Zhaoxian; Zhao, Li; Li, Zhiwen; Tian, Shanli; Xiao, Qian; Deng, Yuheng; Zhang, Jiangwei; Li, Gao; Wan, Chongqing","Supramolecular topology design of silver(i) and copper(ii) coordination polymers through a new semi-rigid sulfonyl ligand with different anion templates.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6730","6737","10.1039/c9dt00257j","","","0.71073","MoKα","","0.0347","0.0279","","","0.0678","0.0721","","","","","","1.036","","","","has coordinates","224224","2020-10-21","18:00:00",""
"7049539","18.9897","0.0002","17.1462","0.0002","36.7532","0.0004","90","","90","","90","","11966.9","0.2","293","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H100 B N3 O Si6 U -","- C48 H100 B N3 O Si6 U -","- C384 H800 B8 N24 O8 Si48 U8 -","8","1","","Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.","Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4894","4905","10.1039/c8dt05051a","","","0.71073","MoKα","","0.0524","0.0361","","","0.0669","0.0714","","","","","","1.055","","","","has coordinates","224395","2020-10-21","18:00:00",""
"7049575","12.0271","0.0008","11.9819","0.0009","28.018","0.0019","90","","90","","90","","4037.6","0.5","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Br Fe N2 P Si2 -","- C16 H26 Br Fe N2 P Si2 -","- C128 H208 Br8 Fe8 N16 P8 Si16 -","8","1","","Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich","Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6236","6247","10.1039/c9dt00892f","","","0.71073","MoKα","","0.05","0.0313","","","0.0555","0.0596","","","","","","1.014","","","","has coordinates","224412","2020-10-21","18:00:00",""
"7049611","18.7772","0.0002","13.7778","0.0001","20.961","0.0002","90","","90","","90","","5422.79","0.09","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H74 B2 Mg2 N4 O6 -","- C54 H74 B2 Mg2 N4 O6 -","- C216 H296 B8 Mg8 N16 O24 -","4","0.5","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.0503","0.0484","","","0.1353","0.1368","","","","","","1.101","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049616","19.8525","0.0009","17.9603","0.0009","20.4433","0.001","90","","90","","90","","7289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H57 B Mg N2 O4 -","- C37 H57 B Mg N2 O4 -","- C296 H456 B8 Mg8 N16 O32 -","8","1","","Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron","The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5785","5792","10.1039/c9dt01085h","","","1.54184","CuKα","","0.1362","0.1017","","","0.3075","0.3304","","","","","","1.107","","","","has coordinates","224111","2020-10-21","18:00:00",""
"7049632","20.66","0.004","21.568","0.004","22.524","0.005","90","","90","","90","","10037","3","153","0.2","153.15","","","","","","","","none","6","P b c a","-P 2ac 2ab","61","rac-1-3MeCN-153K","rac-1-3MeCN-153K","","- C52 H47 Cl2 Fe N9 O12 -","- C52 H47 Cl2 Fe N9 O12 -","- C416 H376 Cl16 Fe8 N72 O96 -","8","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.0869","0.0793","","","0.1733","0.1776","","","","","","1.212","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049739","13.7248","0.0007","11.878","0.0006","14.021","0.0007","90","","90","","90","","2285.7","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis-tert-butylbromobismutan","","- C8 H18 Bi Br -","- C8 H18 Bi Br -","- C64 H144 Bi8 Br8 -","8","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","x-ray","0.71073","MoKα","","0.0255","0.0243","","","0.0579","0.0587","","","","","","1.107","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049800","15.5699","0.0006","13.6495","0.0005","28.6384","0.0012","90","","90","","90","","6086.3","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","complex 3b","","- C31 H32 N8 O5 Pt -","- C31 H32 N8 O5 Pt -","- C248 H256 N64 O40 Pt8 -","8","1","","Yao, Kezi; Bertran, Arnau; Morgan, Jacques; Hare, Samuel M.; Rees, Nicholas H.; Kenwright, Alan M.; Edkins, Katharina; Bowen, Alice M.; Farrer, Nicola J.","A novel Pt(iv) mono azido mono triazolato complex evolves azidyl radicals following irradiation with visible light.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6416","6420","10.1039/c9dt01156k","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0735","0.0779","","","","","","1.116","","","","has coordinates","224168","2020-10-21","18:00:00",""
"7049842","8.9041","0.0002","13.2669","0.0003","26.97","0.0006","90","","90","","90","","3185.96","0.12","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H29 F3 Mn N3 O4 -","- C9.008 H29 F3 Mn N3 O4 -","- C72.064 H232 F24 Mn8 N24 O32 -","8","1","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71075","MoKα","","0.0691","0.0663","","","0.116","0.117","","","","","","1.41","","","","has coordinates,has disorder","224226","2020-10-21","18:00:00",""
"7049843","8.74923","0.00007","13.14407","0.00011","26.2569","0.0003","90","","90","","90","","3019.56","0.05","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H28.75 Co F3 N3 O4 -","- C9 H28.75 Co F3 N3 O4 -","- C72 H230 Co8 F24 N24 O32 -","8","1","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71075","MoKα","","0.0586","0.0586","","","0.1427","0.1427","","","","","","1.38","","","","has coordinates,has disorder","224226","2020-10-21","18:00:00",""
"7049873","11.399","0.003","9.429","0.003","13.467","0.004","90","","90","","90","","1447.4","0.7","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B5 Ba F H0.33 O8.17 -","- B5 Ba F H0.3334 O8.1667 -","- B40 Ba8 F8 H2.6672 O65.3336 -","8","1","","Huang, Chunmei; Han, Guopeng; Li, Hao; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie","A new barium fluorooxoborate BaB<sub>5</sub>O<sub>8</sub>F·xH<sub>2</sub>O with large birefringence and a wide UV transparency window.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6714","6717","10.1039/c9dt00106a","","","0.71073","MoKα","","0.0329","0.0244","","","0.0511","0.0551","","","","","","1.059","","","","has coordinates","224237","2020-10-21","18:00:00",""
"7049908","15.0541","0.0006","12.8474","0.0005","34.972","0.0015","90","","90","","90","","6763.8","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Bi2 Br5.16 I3.84 N6 -","- C15 H21 Bi2 Br5.16 I3.84 N6 -","- C120 H168 Bi16 Br41.28 I30.72 N48 -","8","1","","Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.","Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7602","7611","10.1039/c9dt01019j","","","0.71073","MoKα","","0.0793","0.0537","","","0.151","0.1739","","","","","","1.074","","","","has coordinates","223828","2020-10-21","18:00:00",""
"7049909","11.6913","0.0008","10.8324","0.0007","17.6336","0.0011","90","","90","","90","","2233.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Au2 N4 -","- C20 H34 Au2 N4 -","- C80 H136 Au8 N16 -","4","0.5","","Tong, Liuchuan; Davis, Luke M.; Gong, Xian; Feng, Jun; Beh, Eugene S.; Gordon, Roy G.","Synthesis of volatile, reactive coinage metal 5,5-bicyclic amidinates with enhanced thermal stability for chemical vapor deposition.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6709","6713","10.1039/c9dt01202h","","","0.71073","MoKα","","0.0272","0.024","","","0.0656","0.0669","","","","","","1.069","","","","has coordinates","224222","2020-10-21","18:00:00",""
"7050043","17.2122","0.0002","14.1969","0.0002","28.0146","0.0005","90","","90","","90","","6845.64","0.17","183.2","","183.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 Cl3 O2 P2 Re -","- C39 H32 Cl3 O2 P2 Re -","- C312 H256 Cl24 O16 P16 Re8 -","8","1","","Parr, Maria L.; Perez-Acosta, Carmen; Faller, J. W.","Synthesis, characterization and structural investigation of new rhenium-oxo complexes containing bidentate phosphine ligands: an exploration of chirality and conformation in chelate rings of small and large bite angle ligands","New Journal of Chemistry","2005","29","4","613","","10.1039/b412818d","","","0.7107","MoKα","","0.101","0.048","","0.063","","0.051","","","0.96","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050179","12.573","0.0011","16.5448","0.0014","19.0521","0.0016","90","","90","","90","","3963.2","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(1,1'-ferrocenedicarboxaldehyde-di((eta$5!-cyclopentadienyl) (eta$6!-4-methoxiphenylhydrazone)iron(ii)))hexaflurophosphate","{1,1'-ferrocenedicarboxaldehyde-di[(η^5^-cyclopentadienyl) (η^6^-4-methoxiphenylhydrazone)iron(II)]}hexaflurophosphate","","- C18 H18 F6 Fe1.5 N2 O P -","- C18 H18 F6 Fe1.5 N2 O P -","- C144 H144 F48 Fe12 N16 O8 P8 -","8","1","","Carolina Manzur; César Zúñiga; Lorena Millán; Mauricio Fuentealba; Jose A. Mata; Jean-René Hamon; David Carrillo","Preparation, characterization and electrochemical and X-ray structural studies of new conjugated 1,1'-ferrocenediyl-ended [CpFe-arylhydrazone]+ salts","New J. Chem.","2004","28","1","134","144","10.1039/b308626g","","","0.71073","MoKα","","0.1291","0.0442","","","0.0951","0.0991","","","","","","0.606","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050211","17.008","0.003","16.621","0.003","17.465","0.004","90","","90","","90","","4937.2","1.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl3 In N2 O -","- C22 H30 Cl3 In N2 O -","- C176 H240 Cl24 In8 N16 O8 -","8","1","","Baker, Robert J.; Jones, Cameron; Kloth, Marc; Mills, David P.","The reactivity of gallium(i) and indium(i) halides towards bipyridines, terpyridines, imino-substituted pyridines and bis(imino)acenaphthenes","New Journal of Chemistry","2004","28","2","207","","10.1039/b310592j","","","0.71073","MoKα","","0.0795","0.0463","","","0.0884","0.0995","","","","","","1.022","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050269","7.4613","0.0003","8.9753","0.0004","17.5018","0.0009","90","","90","","90","","1172.05","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.03","0.0274","","","0.0781","0.0807","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050270","7.4667","0.0003","8.9827","0.0003","17.5438","0.0006","90","","90","","90","","1176.68","0.07","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0306","0.0277","","","0.0797","0.0829","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050302","11.901","0.002","9.9022","0.0019","18.667","0.004","90","","90","","90","","2199.8","0.7","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dimetylpyrazole 1:1 adduct with hydroquinone","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0444","0.0362","","","0.0912","0.096","","","","","","1.023","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050305","18.27","0.003","8.5281","0.0011","21.054","0.004","90","","90","","90","","3280.4","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl 1:1 complex with Resorcinol","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C128 H160 N32 O16 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Domasevitch, Konstantin V.","Cooperative association of pyrazoles and phenols: A versatile binary systemElectronic supplementary information (ESI) available: Details for crystal structure determination and refinement and geometry of hydrogen bonding in structures. See http://www.rsc.org/suppdata/nj/b3/b317104c/","New Journal of Chemistry","2004","28","6","756","","10.1039/b317104c","","","0.71073","MoKα","","0.0724","0.0492","","","0.1277","0.1405","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050309","11.571","0.002","11.724","0.002","14.461","0.002","90","","90","","90","","1961.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Methyl-2,4-dibromo-piridinium iodide","","- C6 H6 Br2 I N -","- C6 H6 Br2 I N -","- C48 H48 Br16 I8 N8 -","8","1","","Logothetis, Thomas A.; Meyer, Franck; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe","Crystal engineering of brominated tectons: N-methyl-3,5-dibromo-pyridinium iodide gives particularly short C?Br?I halogen bondingElectronic supplementary information (ESI) available: rotatable 3D versions of Fig. 1 and Fig. 3. See http://www.rsc.org/suppdata/nj/b4/b401421a/","New Journal of Chemistry","2004","28","6","760","","10.1039/b401421a","","","0.71073","MoKα","","0.0399","0.027","","","0.0679","0.0736","","","","","","1.039","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050354","12.2407","0.0009","13.557","0.002","14.531","0.002","90","","90","","90","","2411.4","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-methyl-salicylideneiminato-O,N)-diethyl-boron(III)","","- C12 H18 B N O -","- C12 H18 B N O -","- C96 H144 B8 N8 O8 -","8","1","","Lewinski, Janusz; Dranka, Maciej; Justyniak, Iwona","The self-assembly switching of the group 13 tetrahedral Schiff base complexes by changing the character of coordination centre","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.093","0.0552","","","0.1009","0.1123","","","","","","1.077","","","","has coordinates","208199","2020-10-21","18:00:00",""
"7050357","11.8632","0.0008","17.6782","0.0013","26.703","0.002","90","","90","","90","","5600.2","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cu N14 -","- C24 H28 Cu N14 -","- C192 H224 Cu8 N112 -","8","1","","Ray, Umasankar; Banerjee, Debasis; Mostafa, Golam; Lu, Tian-Huey; Sinha, Chittaranjan","Copper coordination compounds of chelating imidazole-azo-aryl ligand. The molecular structures of bis[1-ethyl-2-(p-tolylazo)imidazole]-bis-(azido)copper(ii) and bis[1-methyl-2-(phenylazo)imidazole]-bis(thiocyanato)copper(ii)","New Journal of Chemistry","2004","28","12","1437","","10.1039/b406445c","","","0.71073","MoK\α","","0.1149","0.0546","","","0.1076","0.1249","","","","","","0.992","","","","has coordinates","180057","2020-10-21","18:00:00",""
"7050391","18.022","0.004","15.912","0.003","18.556","0.004","90","","90","","90","","5321.2","1.8","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N2 O16 Tb -","- C19 H33 N2 O16 Tb -","- C152 H264 N16 O128 Tb8 -","8","1","","Yan-Zhen Zheng; Ming-Liang Tong; Xiao-Ming Chen","Controlled hydrothermal synthesis of copper(II or I,II) coordination polymers via pH-dependent in-situ metal/ligand redox reactions","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0672","0.0357","","","0.0642","0.0734","","","","","","1.029","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050401","16.81","0.003","17.682","0.003","24.199","0.004","90","0.014","90","0.014","90","0.014","7193","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Fe3 N2 O24 -","- C22 H34 Cl Fe3 N2 O24 -","- C176 H272 Cl8 Fe24 N16 O192 -","8","1","","Supriya, Sabbani; Das, Samar K.","A cyclic (H <sub>2</sub> O) <sub>4</sub> cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reaction","New J. Chem.","2003","27","11","1568","1574","10.1039/B303539P","","","","","","","","","","","","","","","","","","","","","has coordinates","282903","2023-04-28","12:31:17",""
"7050406","14.8336","0.0003","13.018","0.0003","31.9522","0.0007","90","","90","","90","","6170.1","0.2","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H56 Cl N P2 Ru Si2 -","- C22 H56 Cl N P2 Ru Si2 -","- C176 H448 Cl8 N8 P16 Ru8 Si16 -","8","1","","Lori A. Watson; Joseph N. Coalter III; Oleg Ozerov; Maren Pink; John C. Huffman; Kenneth G. Caulton","Amido/phosphine pincer hydrides of ruthenium","New J. Chem.","2003","27","2","263","273","10.1039/b206202j","","","0.71073","MoKα","","0.0506","0.0305","","","0.0685","0.0776","","","","","","1.086","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050432","10.1248","0.0007","17.625","0.002","11.9239","0.0012","90","","90","0.3","90","","2127.8","0.4","273.2","","273.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.5608","AgKα","","0.0638","0.064","","0.053","","0.053","","","1.682","","","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050444","14.65","0.003","16.525","0.003","18.089","0.004","90","","90","","90","","4379.2","1.5","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I3 P -","- C19 H18 I3 P -","- C152 H144 I24 P8 -","8","1","","Chow, Hong; Dean, Philip A. W.; Craig, Donald C.; Lucas, Nigel T.; Scudder, Marcia L.; Dance, Ian G.","The subtle tetramorphism of MePh3P+I3‒","New Journal of Chemistry","2003","27","4","704","","10.1039/b208112a","","","0.71073","MoKα","","","0.046","","","","0.05","","","","","","1.32","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050450","6.8309","0.0005","16.047","0.0013","22.8001","0.0011","90","","90","","90","","2499.2","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","CTA/An","cyclohexane-1,3cis,5cis-tricaboxylic acid‒acetonitrile(1/1)'","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C88 H120 N8 O48 -","8","1","","Shan, Ning; Bond, Andrew D.; Jones, William","Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid∶base complexes","New Journal of Chemistry","2003","27","2","365","","10.1039/b208686g","","","0.71069","MoKα","","0.095","0.0535","","","0.1164","0.1369","","","","","","1.04","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050481","17.155","0.003","18.028","0.004","18.48","0.004","90","","90","","90","","5715","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H38 As Cl3 In Li O5 -","- C18 H38 As Cl3 In Li O5 -","- C144 H304 As8 Cl24 In8 Li8 O40 -","8","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","","","","","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050512","9.2775","0.0008","7.7207","0.0006","23.449","0.002","90","","90","","90","","1679.6","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Cd O5 -","- C8 H4 Cd O5 -","- C64 H32 Cd8 O40 -","8","1","","Wang, Shutao; Hou, Yu; Wang, Enbo; Li, Yangguang; Xu, Lin; Peng, Jun; Liu, Shuxia; Hu, Changwen","A novel organic-inorganic hybrid material with fluorescent emission: [Cd(PT)(H2O)]n (PT?=?phthalate)Electronic supplementary information (ESI) available: figures showing the metal-oxygen framework of 1 and its XPS, IR, UV-vis spectra and the decay of the luminescence, as well as the fluorescent excitation and emission spectra of PT. See http://www.rsc.org/suppdata/nj/b2/b211358a/","New Journal of Chemistry","2003","27","7","1144","","10.1039/b211358a","","","0.71073","MoKα","","0.0363","0.0322","","","0.0814","0.084","","","","","","1.077","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050526","16.4081","0.0016","6.7991","0.0008","17.965","0.002","90","","90","","90","","2004.2","0.4","150","","150","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N14 Ni -","- C16 H20 N14 Ni -","- C64 H80 N56 Ni4 -","4","0.5","","Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan","The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/","New Journal of Chemistry","2003","27","6","983","","10.1039/b212059c","","x-ray","0.71073","MoKα","","0.0392","0.0282","","","0.0731","0.0784","","","","","","1.081","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050578","13.0056","0.0002","13.7548","0.0001","30.0991","0.0004","90","","90","","90","","5384.41","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 N4 O26 P8 Pb5 -","- C36 H50 N4 O26 P8 Pb5 -","- C144 H200 N16 O104 P32 Pb20 -","4","0.5","","Sun, Zhong-Ming; Mao, Jiang-Gao; Sun, Yan-Qiong; Zeng, Hui-Yi; Clearfield, Abraham","Hydrothermal synthesis, characterization and crystal structures of two new layered lead(ii) diphosphonates","New Journal of Chemistry","2003","27","9","1326","","10.1039/b302240b","","","0.71073","MoKα","","0.0776","0.0516","","","0.1137","0.1287","","","","","","1.117","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050590","9.979","0.003","7.848","0.003","20.583","0.007","90","","90","","90","","1612","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H7 N2 Na O5 S -","- C3 H7 N2 Na O5 S -","- C24 H56 N16 Na8 O40 S8 -","8","1","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.0333","0.0318","","","0.0841","0.0851","","","","","","1.071","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050591","8.1743","0.0012","8.9723","0.0013","19.912","0.003","90","","90","","90","","1460.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H5 K N2 O4 S -","- C3 H5 K N2 O4 S -","- C24 H40 K8 N16 O32 S8 -","8","1","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.064","0.0568","","","0.1464","0.1517","","","","","","1.05","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050607","8.2198","0.0001","18.4134","0.0001","49.8803","0.0005","90","","90","0.005","90","","7549.61","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","trans-Dibromobis(triallylarsine)palladium(ii)","trans-Dibromobis(triallylarsine)palladium(II)","","- C18 H30 As2 Br2 Pd -","- C18 H30 As2 Br2 Pd -","- C216 H360 As24 Br24 Pd12 -","12","1.5","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.0841","0.0539","","","0.1183","0.127","","","","","","1.301","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050615","16.194","0.003","17.076","0.003","20.335","0.004","90","","90","","90","","5623.2","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[{Nd(AMPTMS)2(Cl)(THF)}2]","","","- C22 H38 Cl N4 Nd O Si2 -","- C22 H38 Cl N4 Nd O Si2 -","- C176 H304 Cl8 N32 Nd8 O8 Si16 -","8","1","","Cole, Marcus L.; Junk, Peter C.","Synthesis and structure of the first non ?ate? heteroleptic lanthanoid complexes bearing monoanionic 2-amidopyridine ligands","New Journal of Chemistry","2003","27","7","1032","","10.1039/b304197b","","","0.71073","MoKα","","0.0456","0.0271","","","0.0581","0.063","","","","","","1.031","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050626","18.8912","0.0006","19.2995","0.0006","20.7963","0.0007","90","","90","","90","","7582.1","0.4","113","","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H63 Cl N2 P2 Ru -","- C35 H63 Cl N2 P2 Ru -","- C280 H504 Cl8 N16 P16 Ru8 -","8","1","","Ho, Victoria M.; Watson, Lori A.; Huffman, John C.; Caulton, Kenneth G.","Double C(sp3) dehydrogenation as a route to coordinated Arduengo carbenes: experiment and computation on comparative ?-acidityElectronic supplementary information (ESI) available: crystallographic data. See http://www.rsc.org/suppdata/nj/b3/b305249d/","New Journal of Chemistry","2003","27","10","1446","","10.1039/b305249d","","","0.71073","MoKα","","","0.0296","","","","0.0286","","","","","","0.6433","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050636","13.302","0.004","14.54","0.002","22.451","0.008","90","","90","","90","","4342","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","H4DAPS","H4DAPS","","- C23 H21 N5 O4 -","- C23 H21 N5 O4 -","- C184 H168 N40 O32 -","8","1","","Manuel R. Bermejo; Rosa Pedrido; Ana M. González-Noya; María J. Romero; Miguel Vázquez; Lorenzo Sorace","Conformational rearrangement of 2,6-bis(1-salicyloylhydrazonoethyl)pyridine (H4daps) on complexation. Synthesis and X-ray characterisation of H4daps and its copper helicate complex [Cu(H2daps)(H2O)]2·2CH3CN","New J. Chem.","2003","27","12","1753","1759","10.1039/b305354g","","","1.5418","CuKα","","0.2753","0.065","","","0.112","0.1604","","","","","","0.873","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050672","15.9838","0.0016","5.2038","0.0005","20.426","0.002","90","","90","","90","","1699","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 S2 -","- C18 H20 N2 O2 S2 -","- C72 H80 N8 O8 S8 -","4","0.5","","Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.; Parr, Jonathan; Stonehouse, Julia M.","The preparation and structure of novel sulfimide systems; X-ray crystal structures of 1,4-(PhS{NH})2C6H4 (and dihydrate), 1,2-(PhS{NH})(PhS)C6H4·H2O and of [Ph2SNH] and its hydrate","New Journal of Chemistry","2002","26","2","202","","10.1039/b103502a","","","0.71073","MoKα","","0.1068","0.0527","","","0.1021","0.1278","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050675","5.1467","0.0004","20.1417","0.0014","21.4008","0.0014","90","","90","","90","","2218.5","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O S -","- C12 H13 N O S -","- C96 H104 N8 O8 S8 -","8","1","","Elsegood, Mark R. J.; Holmes, Kathryn E.; Kelly, Paul F.; Parr, Jonathan; Stonehouse, Julia M.","The preparation and structure of novel sulfimide systems; X-ray crystal structures of 1,4-(PhS{NH})2C6H4 (and dihydrate), 1,2-(PhS{NH})(PhS)C6H4·H2O and of [Ph2SNH] and its hydrate","New Journal of Chemistry","2002","26","2","202","","10.1039/b103502a","","","0.71073","MoKα","","0.0455","0.0321","","","0.0822","0.0898","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050733","13.894","0.003","12.865","0.003","30.066","0.006","90","","90","","90","","5374","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H38 N4 O10 Pb -","- C20 H38 N4 O10 Pb -","- C160 H304 N32 O80 Pb8 -","8","1","","Arya, Pious; Channa, Asif; Cragg, Peter J.; Prince, Paul D.; Steed, Jonathan W.","C-Donor lariat ether 'scorpionates'","New Journal of Chemistry","2002","26","4","440","","10.1039/b108522k","","","0.71073","MoKα","","0.1388","0.0783","","","0.1156","0.129","","","","","","1.172","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050745","7.454","0.001","8.991","0.002","19.477","0.004","90","","90","","90","","1305.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene, polymorph beta","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","","Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz","Supramolecular structures formed by 2-aminopyridine derivatives.","New Journal of Chemistry","2002","26","4","448","","10.1039/b108861k","","","0.71073","MoKα","","0.1205","0.0382","","","0.0971","0.1103","","","","","","0.963","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050751","9.756","0.002","17.048","0.003","22.116","0.004","90","","90","","90","","3678.3","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-Bis(2-pyridyl) -4,4'-methylenebis(aminobenzene)","","- C23 H20 N4 -","- C23 H20 N4 -","- C184 H160 N32 -","8","1","","Bensemann, Igor; Gdaniec, Maria; Połoński, Tadeusz","Supramolecular structures formed by 2-aminopyridine derivatives.","New Journal of Chemistry","2002","26","4","448","","10.1039/b108861k","","","1.54178","CuKα","","0.1621","0.0499","","","0.1247","0.161","","","","","","0.896","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050756","16.3031","0.0006","19.6564","0.0008","19.668","0.0008","90","","90","","90","","6302.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H43 N O8 U -","- C33 H43 N O8 U -","- C264 H344 N8 O64 U8 -","8","1","","Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre","Trigonal versus tetragonal or pentagonal coordination of the uranyl ion by hexahomotrioxacalix[3]arenes: solid state and solution investigations","New Journal of Chemistry","2002","26","1","120","","10.1039/b108947c","","","0.71073","MoKα","","0.0515","0.0295","","","0.0518","0.0574","","","","","","1.008","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050845","11.2826","0.0001","17.0485","0.0002","17.5949","0.0003","90","","90","","90","","3384.4","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Mn N5 O2 -","- C18 H14 Mn N5 O2 -","- C144 H112 Mn8 N40 O16 -","8","1","","Shi, Qian; Cao, Rong; Li, Xing; Luo, Junhua; Hong, Maochun; Chen, Zhongning","Syntheses, structures, electrochemistry and magnetic properties of chain-like dicyanamide manganese(iii) and iron(iii) complexes with salen ligand","New Journal of Chemistry","2002","26","10","1397","","10.1039/b200907b","","","0.71073","MoKα","","0.0756","0.0446","","","0.0921","0.1079","","","","","","1.079","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050846","11.4946","0.0003","16.5213","0.0004","17.8642","0.0001","90","","90","","90","","3392.51","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Fe N5 O2 -","- C19 H13 Fe N5 O2 -","- C152 H104 Fe8 N40 O16 -","8","1","","Shi, Qian; Cao, Rong; Li, Xing; Luo, Junhua; Hong, Maochun; Chen, Zhongning","Syntheses, structures, electrochemistry and magnetic properties of chain-like dicyanamide manganese(iii) and iron(iii) complexes with salen ligand","New Journal of Chemistry","2002","26","10","1397","","10.1039/b200907b","","","0.71073","MoKα","","0.107","0.053","","","0.1037","0.1264","","","","","","1.088","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050883","16.1794","0.0001","24.1843","0.0001","16.4207","0.0002","90","","90","","90","","6425.21","0.09","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 Cu N4 O4 -","- C40 H28 Cu N4 O4 -","- C320 H224 Cu8 N32 O32 -","8","1","","Tian, Yu-Peng; Zhang, Xuan-Jun; Wu, Jie-Ying; Fun, Hoong-Kun; Jiang, Min-Hua; Xu, Zhi-Qiang; Usman, Anwar; Chantrapromma, Suchada; Thompson, Laurence K.","Structural diversity and properties of a series of dinuclear and mononuclear copper(ii) and copper(i) carboxylato complexes","New Journal of Chemistry","2002","26","10","1468","","10.1039/b203334h","","","0.71073","MoKα","","0.0715","0.0402","","","0.1","0.1126","","","","","","0.904","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7050980","16.801","0.003","6.951","0.001","24.335","0.006","90","","90","","90","","2841.9","1","291.2","","291.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cl2 Cu N3 O S -","- C13 H9 Cl2 Cu N3 O S -","- C104 H72 Cl16 Cu8 N24 O8 S8 -","8","1","","Li, Gang; Che, De-Ji; Li, Zi-Feng; Zhu, Yu; Zou, Da-Peng","Versatile coordination patterns in the reaction system of N-benzoyl-N???-(2-pyridyl)thiourea with CuCl2. Their reaction conditions, systematic isolation and crystal structures","New Journal of Chemistry","2002","26","11","1629","","10.1039/b206257g","","","0.7107","MoKα","","0.0834","0.0623","","0.112","0.0973","","","","1.277","1.217","1.217","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051009","24.011","0.0002","12.3005","0.0001","27.2856","0.0003","90","","90","","90","","8058.73","0.13","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","[Chloro-tris(5-tertbutylpyrazole)zinc(II)] [6,7,8,9,10-pentabromo-pentahydro-closo-1-carbanonaborate] hydrate","","- C22 H43 B9 Br5 Cl N6 O Zn -","- C22 H43 B9 Br5 Cl N6 O Zn -","- C176 H344 B72 Br40 Cl8 N48 O8 Zn8 -","8","1","","Renard, Sylvie L.; Franken, Andreas; Kilner, Colin A.; Kennedy, John D.; Halcrow, Malcolm A.","Carbaborane salts of [ZnCl(HpztBu)3]+, a host for inorganic anions (HpztBu???=???5-tert-butylpyrazole)","New Journal of Chemistry","2002","26","11","1634","","10.1039/b207966f","","","0.71073","MoKα","","0.0505","0.0321","","","0.0708","0.0781","","","","","","1.019","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051095","17.676","0.006","18.784","0.008","22.185","0.011","90","","90","","90","","7366","5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H69 N5 P2 -","- C31 H69 N5 P2 -","- C248 H552 N40 P16 -","8","1","","Baceiredo, Antoine; Bertrand, Guy; Dyer, Philip W.; Fawcett, John; Griep-Raming, Nina; Guerret, Olivier; Hanton, Martin J.; Russell, David R.; Williamson, Anna-Maria","The 'one-pot' syntheses of α,α'-diphosphino-substituted imines: a unique reaction of bulky bis(dialkylamino)chlorophosphines","New Journal of Chemistry","2001","25","4","591","","10.1039/b009867l","","","0.71073","MoKα","","0.163","0.0776","","","0.1628","0.2","","","","","","0.983","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051152","8.2101","0.0008","9.9396","0.001","10.6382","0.001","90","","90","","90","","868.13","0.15","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Br N3 -","- C2 H2 Br N3 -","- C16 H16 Br8 N24 -","8","1","","Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose","The structure of halogeno-1,2,4-triazoles in the solid state and in solution.","New Journal of Chemistry","2001","","","","","10.1039/b103405g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051221","18.112","0.01","10.86","0.005","23.781","0.01","90","","90","","90","","4678","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Ag2 Cl2 N9 O8 -","- C14 H27 Ag2 Cl2 N9 O8 -","- C112 H216 Ag16 Cl16 N72 O64 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0946","0.0492","","","0.108","0.1289","","","","","","1.035","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051222","11.488","0.003","10.395","0.003","19.527","0.007","90","","90","","90","","2331.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0738","0.0527","","","0.1384","0.154","","","","","","1.011","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051224","11.62","0.006","10.807","0.005","23.145","0.012","90","","90","","90","","2906","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Ag N4 O4 -","- C13 H19 Ag N4 O4 -","- C104 H152 Ag8 N32 O32 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.1137","0.0566","","","0.1149","0.1362","","","","","","1.024","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051247","8.8316","0.0002","5.9003","0.0001","15.6123","0.0004","90","","90","","90","","813.54","0.03","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","trans-1,4-Diethynyl-1,4-dihydroxy-2,5-cyclohexadiene","trans-1,4-Diethynyl-1,4-dihydroxy-2,5-cyclohexadiene","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","0.5","","Laxmi Madhavi, N. N.; Bilton, Clair; Howard, Judith A. K.; Allen, Frank H.; Nangia, Ashwini; Desiraju, Gautam R.","Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family","New Journal of Chemistry","2000","24","1","1","","10.1039/a908233f","","","0.71073","MoKα","","0.041","0.0358","","","0.088","0.0947","","","","","","1.097","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051256","10.7727","0.0014","7.5924","0.0009","21.775","0.003","90","","90","","90","","1781","0.4","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,10-Dihydrophenazine","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","1","","Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner","Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes","New Journal of Chemistry","2000","24","3","143","","10.1039/a908744c","","","0.71073","MoKα","","0.0441","0.0349","","","0.0953","0.1017","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051273","21.7419","0.0003","16.3501","0.0004","24.7136","0.0005","90","","90","","90","","8785.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H90 P4 Ru2 -","- C36 H90 P4 Ru2 -","- C288 H720 P32 Ru16 -","8","1","","Evans, Chris E. B.; Lough, Alan J.; Grondey, Hiltrud; Manners, Ian","Synthesis, structure and polymerization behaviour of borane adducts of a phosphorus-bridged [1]ferrocenophane, [(η-C5H4)2FePPh]","New Journal of Chemistry","2000","24","6","447","","10.1039/b000935k","","","0.71073","MoKα","","0.0736","0.0391","","","0.085","0.0936","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051284","18.57","0.001","17.22","0.001","19.03","0.001","90","","90","","90","","6085.3","0.6","20","2","20","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H43 O P -","- C35 H43 O P -","- C280 H344 O8 P8 -","8","1","","Matthew G. Davidson; Andrés E. Goeta; Judith A. K. Howard; Sarah Lamb; Sax A. Mason","The shortest C‒H···O hydrogen bonds yet determined by single crystal neutron diffraction: a structural study of two phosphonium aryloxides","New J. Chem.","2000","24","7","477","479","10.1039/b001433h","","neutron","1.3137","neutron","","0.0443","0.0357","","0.0738","0.0713","","","","","","","1.171","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051285","15.7749","0.0003","18.8326","0.0003","19.4901","0.0004","90","","90","","90","","5790.17","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N O P2 Se2 -","- C31 H27 N O P2 Se2 -","- C248 H216 N8 O8 P16 Se16 -","8","1","","Gaw, Kirsty G.; Smith, Martin B.; Slawin, Alexandra M. Z.","Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I) and gold(I) complexes of a new methoxy functionalised bis(phosphino)amine: synthesis and structure","New Journal of Chemistry","2000","24","6","429","","10.1039/b001458n","","","0.71073","MoKα","","0.0915","0.0336","","0.0786","0.0611","","","","0.83","0.951","0.951","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051310","13.1","0.2","25.4","0.2","12","0.2","90","","90","","90","","3993","10","296.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cu N4 O8 -","- C19 H18 Cu N4 O8 -","- C152 H144 Cu8 N32 O64 -","8","1","","Ezuhara, Takayoshi; Endo, Ken; Matsuda, Kenji; Aoyama, Yasuhiro","One-dimensional chains consisting of copper(II) ions and an orthogonal anthracene-pyrimidine derivative: hierarchical formation of high-dimensional networks and their magnetic properties","New Journal of Chemistry","2000","24","8","609","","10.1039/b002315i","","","0.7107","MoKα","","","0.046","","","","0.0685","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051332","12.035","0.002","9.7006","0.0019","18.374","0.004","90","","90","","90","","2145.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H15 I2 N3 -","- C4 H15 I2 N3 -","- C32 H120 I16 N24 -","8","1","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051397","14.665","0.0005","14.5373","0.0007","17.101","0.0006","90","","90","","90","","3645.8","0.3","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N2 O4 W -","- C16 H20 N2 O4 W -","- C128 H160 N16 O32 W8 -","8","1","","Herrmann W. A.; Fridgen J.; Lobmaier G. M.; Spiegler M.","First tungsten complexes with 2'-pyridylalcoholate ligands: synthesis, structure and application as novel epoxidation catalysts","New Journal of Chemistry","1999","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051433","8.031","0.002","18.113","0.006","21.755","0.006","90","","90","","90","","3165","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H10 Mn N2 O4 S -","- C18 H10 Mn N2 O4 S -","- C144 H80 Mn8 N16 O32 S8 -","8","1","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.0428","","","0.0874","","","","","","","","","","","has coordinates","198588","2020-10-21","18:00:00",""
"7051436","17.0596","0.0002","11.1202","0.0002","28.8769","0.0004","90","","90","","90","","5478.13","0.14","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Cl2 F6 Fe N4 P -","- C24 H24 Cl2 F6 Fe N4 P -","- C192 H192 Cl16 F48 Fe8 N32 P8 -","8","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a901893j","","","","","","","0.0687","","","0.1923","","","","","","","","","","","has coordinates","180068","2020-10-21","18:00:00",""
"7051488","7.565","0.002","14.423","0.002","19.793","0.003","90","","90","","90","","2159.6","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C88 H88 N24 O8 -","8","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a906111h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051546","14.6107","0.0002","14.6567","0.0002","21.6728","0.0003","90","","90","","90","","4641.11","0.11","120","2","120","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N6 Ni O8 -","- C16 H28 Cl2 N6 Ni O8 -","- C128 H224 Cl16 N48 Ni8 O64 -","8","1","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.0493","0.037","","","0.0922","0.0997","","","","","","1.061","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051548","11.4252","0.0007","25.7105","0.0016","31.2552","0.0019","90","","90","","90","","9181.1","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H44 Cu2 N8 O4 -","- C58 H44 Cu2 N8 O4 -","- C464 H352 Cu16 N64 O32 -","8","1","","Mike Ward; Harry Adams; J. Jeffery; T. Riis-Johannessen; Tanya K. Ronson","Mixed Ligand Helicates and Mesocates","New Journal of Chemistry","2006","","","","","10.1039/b515154f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051549","14.0294","0.0014","28.052","0.003","28.125","0.003","90","","90","","90","","11068.8","1.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H60 N8 O8 Zn2 -","- C62 H60 N8 O8 Zn2 -","- C496 H480 N64 O64 Zn16 -","8","1","","Mike Ward; Harry Adams; J. Jeffery; T. Riis-Johannessen; Tanya K. Ronson","Mixed Ligand Helicates and Mesocates","New Journal of Chemistry","2006","","","","","10.1039/b515154f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7051581","18.397","0.004","15.542","0.003","20.168","0.004","90","","90","","90","","5767","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H49 N3 -","- C31 H49 N3 -","- C248 H392 N24 -","8","1","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Rose, Richard P.; Stasch, Andreas","Synthesis and characterisation of bulky guanidines and phosphaguanidines: precursors for low oxidation state metallacycles","New Journal of Chemistry","2009","33","1","64","","10.1039/b809120j","","","0.71073","MoKα","","0.0577","0.0435","","","0.1004","0.1069","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051598","11.8","0.003","13.208","0.003","41.505","0.009","90","","90","","90","","6469","3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,3-Bis(4,4''-dimethyl-2,2':6',2''-terpyridin-4'-yl)-5- methylbenzene","","","- C41 H34 N6 -","- C41 H34 N6 -","- C328 H272 N48 -","8","1","","Eryazici, Ibrahim; Newkome, George R.","Construction of hexanuclear macrocycles by a coupling strategy from polyfunctionalized bis(terpyridines)","New Journal of Chemistry","2009","33","2","345","","10.1039/b811607e","","","0.71073","MoKα","","0.099","0.0725","","","0.152","0.1614","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051610","14.971","0.015","13.39","0.02","33.07","0.04","90","","90","","90","","6629","14","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H30 N18 -","- C30 H30 N18 -","- C240 H240 N144 -","8","1","","Rosokha, Sergiy V.; Lu, Jianjiang; Han, Bing; Kochi, Jay K.","Unusual structural effects of intermolecular π-bonding in the tetracyanopyrazine (ion-radical) dimer","New Journal of Chemistry","2009","33","3","545","","10.1039/b812829d","","","0.71073","MoKα","","0.1425","0.0696","","","0.1532","0.1916","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051613","10.09","0.002","12.141","0.003","13.85","0.003","90","","90","","90","","1696.7","0.7","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C8 N6 -","- C8 N6 -","- C64 N48 -","8","1","","Rosokha, Sergiy V.; Lu, Jianjiang; Han, Bing; Kochi, Jay K.","Unusual structural effects of intermolecular π-bonding in the tetracyanopyrazine (ion-radical) dimer","New Journal of Chemistry","2009","33","3","545","","10.1039/b812829d","","","0.71073","MoKα","","0.0648","0.0481","","","0.1194","0.1286","","","","","","1.275","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051655","11.8868","0.0006","13.9067","0.0007","22.8836","0.0011","90","","90","","90","","3782.8","0.3","233","","233","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cl Se -","- C26 H17 Cl Se -","- C208 H136 Cl8 Se8 -","8","1","","Nakamoto, Takashi; Hayashi, Satoko; Nakanishi, Waro; Minoura, Mao; Yamamoto, Gaku","Structures and dynamic stereochemistry of 9-arylselanyltriptycenes: X-ray crystallographic, spectroscopic and theoretical investigations","New Journal of Chemistry","2009","33","7","1588","","10.1039/b817949b","","","0.71073","MoKα","","0.0369","0.0269","","","0.0733","0.0855","","","","","","1.131","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051656","7.9805","0.0004","14.0346","0.0007","34.5168","0.0018","90","","90","","90","","3866","0.3","233","","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N O2 Se -","- C26 H17 N O2 Se -","- C208 H136 N8 O16 Se8 -","8","1","","Nakamoto, Takashi; Hayashi, Satoko; Nakanishi, Waro; Minoura, Mao; Yamamoto, Gaku","Structures and dynamic stereochemistry of 9-arylselanyltriptycenes: X-ray crystallographic, spectroscopic and theoretical investigations","New Journal of Chemistry","2009","33","7","1588","","10.1039/b817949b","","","0.71073","MoKα","","0.0542","0.0385","","","0.0968","0.1117","","","","","","1.17","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051712","14.851","0.003","23.826","0.005","28.135","0.006","90","","90","","90","","9955","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H36 Br4 Fe Mn2 N10 O9 -","- C39 H32 Br4 Fe Mn2 N10 O9 -","- C312 H256 Br32 Fe8 Mn16 N80 O72 -","8","1","","Ababei, Rodica; Li, Yang-Guang; Roubeau, Olivier; Kalisz, Marguerite; Bréfuel, Nicolas; Coulon, Claude; Harté, Etienne; Liu, Xueting; Mathonière, Corine; Clérac, Rodolphe","Bimetallic cyanido-bridged magnetic materials derived from manganese(iii) Schiff-base complexes and pentacyanidonitrosylferrate(ii) precursor","New Journal of Chemistry","2009","33","6","1237","","10.1039/b903399h","","","0.71073","MoKα","","0.076","0.0511","","","0.1373","0.1479","","","","","","1.084","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051726","15.8418","0.0001","14.3993","0.0001","15.897","0.0001","90","","90","","90","","3626.28","0.04","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Ga P S2 -","- C19 H16 Ga P S2 -","- C152 H128 Ga8 P8 S16 -","8","1","","Vălean, Ana-Maria; Gómez-Ruiz, Santiago; Lönnecke, Peter; Silaghi-Dumitrescu, Ioan; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie","Stabilisation of an inorganic digallane by the phosphinobisthiolato P,S,S pincer ligand PPh(2-SC6H4)2","New Journal of Chemistry","2009","33","8","1771","","10.1039/b907668a","","","0.71073","MoKα","","0.0354","0.0262","","","0.0588","0.0686","","","","","","1.228","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051762","8.3942","0.0012","15.149","0.002","25.099","0.004","90","","90","","90","","3191.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O Pd S -","- C15 H16 N4 O Pd S -","- C120 H128 N32 O8 Pd8 S8 -","8","1","","Halder, Sarmistha; Peng, Shie-Ming; Lee, Gene-Hsiang; Chatterjee, Tanmay; Mukherjee, Asama; Dutta, Sushanta; Sanyal, Utpal; Bhattacharya, Samaresh","Synthesis, structure, spectroscopic properties and cytotoxic effect of some thiosemicarbazone complexes of palladium","New Journal of Chemistry","2008","32","1","105","","10.1039/b707448d","","","0.71073","MoKα","","0.0247","0.0219","","","0.0573","0.0595","","","","","","1.076","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051790","10.6209","0.0008","17.6637","0.0014","27.839","0.002","90","","90","","90","","5222.7","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","tris(4-methylthiazol-2-yl)phosphanegold(I) thiobenzoate hemi hexane solvate","(thiobenzoato)[tris(4-methylthiazol-2-yl)phosphane]gold(I) hemi hexane solvate","","- C22 H24 Au N3 O P S4 -","- C19 H17 Au N3 O P S4 -","- C152 H136 Au8 N24 O8 P8 S32 -","8","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0531","0.047","","","0.1051","0.1075","","","","","","1.207","","","","has coordinates,has disorder","180071","2020-10-21","18:00:00",""
"7051811","7.1662","0.0002","11.4546","0.0003","38.421","0.0012","90","","90","","90","","3153.82","0.16","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[1-(2-chlorophenyl)ethyl]-1-phenylbutane-1.3-dione","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C144 H136 Cl8 O16 -","8","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto‒enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.1375","0.0514","","","0.0955","0.1243","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051812","16.998","0.0002","9.9242","0.0003","21.5231","0.0005","90","","90","","90","","3630.77","0.14","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-2-(1-phenylethyl)propane-1,3-dione","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto‒enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.0776","0.0491","","","0.1184","0.1354","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051814","17.0267","0.0004","9.9384","0.0002","22.3568","0.0007","90","","90","","90","","3783.18","0.17","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-1-(1-phenylpropyl)propane-1,3-dione","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto‒enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.1041","0.049","","","0.1027","0.1249","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051910","15.7823","0.0007","8.7508","0.0004","19.8826","0.0009","90","","90","","90","","2745.9","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C160 H96 N16 -","8","1","","Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo","Synthesis, crystal structure and crystal packing of diaza[5]helicenes","New Journal of Chemistry","2008","32","10","1710","","10.1039/b800050f","","","0.71069","MoKα","","0.0833","0.0806","","","0.1721","0.1736","","","","","","1.303","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051990","8.8645","0.0002","8.5149","0.0001","49.0253","0.0009","90","","90","","90","","3700.45","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(dodecylammonium)tetraiodoplumbate(II)","","- C24 H56 I4 N2 Pb -","- C24 H56 I4 N2 Pb -","- C96 H224 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0661","0.0551","","","0.1323","0.1362","","","","","","1.292","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051992","8.8474","0.0001","8.5167","0.0001","54.1561","0.0007","90","","90","","90","","4080.7","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(tetradecylammonium)tetraiodoplumbate(II)","","- C28 H64 I4 N2 Pb -","- C28 H64 I4 N2 Pb -","- C112 H256 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0678","0.054","","","0.111","0.1147","","","","","","1.252","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051994","8.8167","0.0001","8.5222","0.0001","59.2906","0.0009","90","","90","","90","","4454.96","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(hexadecylammonium)tetraiodoplumbate(II)","","- C32 H72 I4 N2 Pb -","- C32 H72 I4 N2 Pb -","- C128 H288 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0663","0.0519","","","0.1245","0.1292","","","","","","1.209","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051996","8.7825","0.0001","8.5401","0.0001","64.4472","0.0011","90","","90","","90","","4833.76","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(octadecylammonium)tetraiodoplumbate(II)","","- C36 H80 I4 N2 Pb -","- C36 H80 I4 N2 Pb -","- C144 H320 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)","New Journal of Chemistry","2008","32","10","1736","","10.1039/b805417g","","","0.71073","MoKα","","0.0737","0.0556","","","0.1281","0.1346","","","","","","1.141","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7052027","13.7961","0.0007","10.955","0.006","20.8776","0.001","90","","90","","90","","3155.4","1.7","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[C4mpyr][NMes2]","1-butyl-1-methyl pyrrolidinium bis(methanesulfonyl)amide","","- C11 H26 N2 O4 S2 -","- C11 H26 N2 O4 S2 -","- C88 H208 N16 O32 S16 -","8","1","","Dean, Pamela M.; Pringle, Jennifer M.; Forsyth, Craig M.; Scott, Janet L.; MacFarlane, Douglas R.","Interactions in bisamide ionic liquids—insights from a Hirshfeld surface analysis of their crystalline states","New Journal of Chemistry","2008","32","12","2121","","10.1039/b809606f","","","0.71073","MoKα","","0.0463","0.0407","","","0.0967","0.1","","","","","","1.136","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052042","12.6235","0.0007","18.0143","0.001","35.025","0.003","90","","90","","90","","7964.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H67 Al Cl Nd -","- C37 H67 Al Cl Nd -","- C296 H536 Al8 Cl8 Nd8 -","8","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0686","0.0411","","","0.0955","0.1048","","","","","","1.041","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052085","13.6403","0.0002","9.6489","0.0002","24.3685","0.0005","90","","90","","90","","3207.23","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0533","0.0391","","","0.0952","0.1026","","","","","","1.038","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052133","14.2033","0.0003","16.447","0.0004","20.4164","0.0005","90","","90","","90","","4769.31","0.19","100","2","100","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","","","- C46 H34 Cl6 I4 N2 O2 -","- C46 H34 Cl6 I4 N2 O2 -","- C184 H136 Cl24 I16 N8 O8 -","4","0.5","","Arunkumar, Easwaran; Sudeep, Pallikkara K.; Kamat, Prashant V.; Noll, Bruce C.; Smith, Bradley D.","Singlet oxygen generation using iodinated squaraine and squaraine-rotaxane dyes.","New journal of chemistry = Nouveau journal de chimie","2007","31","5","677","683","10.1039/b616224j","","x-ray","0.71073","MoKα","","0.0322","0.0213","","","0.0467","0.0512","","","","","","1.038","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052135","16.0948","0.0001","26.2675","0.0001","19.298","0.0001","90","","90","","90","","8158.62","0.07","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H56 N4 O2 S4 -","- C42 H56 N4 O2 S4 -","- C336 H448 N32 O16 S32 -","8","1","","Martin Valik; Vladimir Král; Eberhardt Herdtweck; Franz P. Schmidtchen","Sulfoniumcalixpyrrole: the decoration of a calix[4]pyrrole host with positive charges boosts affinity and selectivity of anion binding in DMSO solvent","New Journal of Chemistry","2007","31","5","703","","10.1039/b617465e","","","0.71073","MoKα","","0.0432","0.0354","","","0.0859","0.0908","","","","","","1.016","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052172","12.2251","0.0007","15.406","0.009","19.7291","0.001","90","","90","","90","","3716","2","250","","250","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H19 Ag Cl N7 O5 -","- C12 H19 Ag Cl N7 O5 -","- C96 H152 Ag8 Cl8 N56 O40 -","8","1","","Fabrice Pointillart; Cyrille Train; Patrick Herson; Jérôme Marrot; Michel Verdaguer","Verdazyl-based extended structures: synthesis, structures and magnetic properties of silver(i) one dimensional compounds","New Journal of Chemistry","2007","31","6","1001","","10.1039/b701686g","","","0.71073","MoKα","","0.1999","0.1142","","0.1415","0.1095","0.1095","","","","","","1.0707","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052202","19.0372","0.0007","22.9422","0.0007","30.2456","0.0013","90","","90","","90","","13209.9","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C71 H101 N O9 -","- C71 H101 N O9 -","- C568 H808 N8 O72 -","8","1","","Marcos, Paula M.; Félix, Sandra; Ascenso, José R.; Segurado, Manuel A. P.; Thuéry, Pierre; Mellah, Besma; Michel, Sylvia; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise","Complexation and transport of transition and heavy metal cations by p-tert-butyldihomooxacalix[4]arene tetraketones and X-ray crystal structure of the tert-butyl ketone derivative","New Journal of Chemistry","2007","31","12","2111","","10.1039/b705879a","","","0.71073","MoKα","","0.1381","0.0776","","","0.196","0.2175","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052243","11.587","0.002","18.303","0.004","21.919","0.004","90","","90","","90","","4648.5","1.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Co Cu N4 O4 S2 -","- C21 H20 Co Cu N4 O4 S2 -","- C168 H160 Co8 Cu8 N32 O32 S16 -","8","1","","Costes, Jean-Pierre; Gheorghe, Ruxandra; Andruh, Marius; Shova, Sergiu; Clemente Juan, Juan-Modesto","An original 1D Cu‒Co heterometallic compound: synthesis, structure and magnetic properties","New Journal of Chemistry","2006","30","4","572","","10.1039/b518029e","","","0.71073","MoKα","","0.1352","0.0555","","","0.0735","0.0937","","","","","","0.993","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052244","17.771","0.004","24.755","0.003","12.338","0.004","90","","90","","90","","5428","2","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Fe2 N O5 W -","- C28 H23 Fe2 N O5 W -","- C224 H184 Fe16 N8 O40 W8 -","8","1","","Konrad Kowalski; Janusz Zakrzewski; Marcin Palusiak; Sławomir Domagała","Aryl (ferrocenyl)-capped ethenylazaferrocenes: synthesis, structure and electrochemistry","New Journal of Chemistry","2006","30","6","901","","10.1039/b600022c","","","0.71073","MoKα","","","0.0671","","","","0.1969","","","","","","0.93","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052297","11.14","0.003","11.497","0.003","16.854","0.004","90","0.018","90","0.019","90","0.019","2158.6","1","170","2","170","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17.5 H0 Fe N10 O0.5 -","- C17.5 Fe N10 O0.5 -","- C70 Fe4 N40 O2 -","4","0.5","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","x-ray","0.71073","MoKα","","0.147","0.1222","","","0.2384","0.2524","","","","","","1.362","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052344","8.513","0.005","15.322","0.005","16.926","0.005","90","","90","","90","","2207.8","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Cl2 N4 O10 Re -","- C12 H32 Cl2 N4 O10 Re -","- C48 H128 Cl8 N16 O40 Re4 -","4","0.5","","Jorge S. Gancheff; Carlos Kremer; Oscar N. Ventura; Sixto Domínguez; Carla Bazzicalupi; Antonio Bianchi; Leopoldo Suescun; Alvaro W. Mombrú","ReO<small><sub>2</sub></small><small><sup>+</sup></small> chelates with aliphatic diamines. Structural and proton transfer properties","New Journal of Chemistry","2006","30","11","1650","","10.1039/b606797b","","","0.71069","MoKα","","0.0782","0.0422","","","0.0834","0.0965","","","","","","1.044","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052349","13.56","0.011","7.385","0.006","26.06","0.02","90","","90","","90","","2610","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C104 H88 N40 O24 -","8","1","","Moloy Sarkar; Sandip Banthia; Aditi Patil; Mohd. Bismillah Ansari; Anunay Samanta","pH-Regulated “Off‒On” fluorescence signalling of d-block metal ions in aqueous media and realization of molecular IMP logic function","New Journal of Chemistry","2006","30","11","1557","","10.1039/b607642d","","","0.71073","MoKα","","0.1312","0.0567","","","0.1164","0.1495","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052484","10.4583","0.0014","16.052","0.002","29.546","0.004","90","","90","","90","","4960.1","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F6 N4 Ni O6 S2 -","- C18 H24 F6 N4 Ni O6 S2 -","- C144 H192 F48 N32 Ni8 O48 S16 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.074","0.0619","","","0.1589","0.1676","","","","","","1.066","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052508","7.472","0.0005","8.9926","0.0006","17.5962","0.0014","90","","90","","90","","1182.34","0.15","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0334","0.0294","","","0.0817","0.0861","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052509","7.4858","0.0004","9.0041","0.0005","17.6597","0.001","90","","90","","90","","1190.31","0.11","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0375","0.0325","","","0.0867","0.0912","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052510","7.4904","0.0006","9.0176","0.0007","17.7254","0.0016","90","","90","","90","","1197.27","0.17","350","2","350","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1:1 co-crystal of urea:phosphoric acid","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Andrew Parkin; Suzanne M. Harte; Andrés E. Goeta; Chick C. Wilson","Imaging proton migration from X-rays and neutrons","New J. Chem.","2004","28","6","718","721","10.1039/b315515c","","","0.71073","MoKα","","0.0413","0.0348","","","0.0955","0.1017","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052544","15.896","0.003","16.77","0.003","18.79","0.004","90","","90","","90","","5009","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H30 Cl2 N2 Ni -","- C27 H30 Cl2 N2 Ni -","- C216 H240 Cl16 N16 Ni8 -","8","1","","Yu, Jiangang; Hu, Xinquan; Zeng, Yanning; Zhang, Liping; Ni, Caihua; Hao, Xiang; Sun, Wen-Hua","Synthesis, characterisation and ethylene oligomerization behaviour of N-(2-substituted-5,6,7-trihydroquinolin-8-ylidene)arylaminonickel dichlorides","New Journal of Chemistry","2011","35","1","178","","10.1039/c0nj00516a","","","0.71073","MoKα","","","0.1399","","","0.2849","0.2953","","","","","","1.463","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052586","19.3122","0.0004","16.5116","0.0003","25.1186","0.0005","90","","90","","90","","8009.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxo-3-phenyl-propanato)(2-)- N,N',O$3!,O$3!')(1,3-bis(4-pyridyl) propane)iron(ii)","(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxo-3-phenyl- propanato](2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'}(1,3-bis(4-pyridyl) propane)iron(II)","","- C43.54 H42.17 Fe N4 O6.54 -","- C43.542 H42.168 Fe N4 O6.542 -","- C348.336 H337.344 Fe8 N32 O52.336 -","8","1","","Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit","Complete and incomplete spin transitions in 1D chain iron(ii) compounds","New Journal of Chemistry","2011","35","3","691","","10.1039/c0nj00750a","","","0.71073","MoKα","","0.0664","0.0325","","","0.0701","0.0744","","","","","","0.841","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052649","9.5124","0.0007","11.5501","0.0008","16.6392","0.0012","90","","90","","90","","1828.1","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 Br N3 -","- C7 H10 Br N3 -","- C56 H80 Br8 N24 -","8","1","","Drab, David M.; Smiglak, Marcin; Shamshina, Julia L.; Kelley, Steven P.; Schneider, Stefan; Hawkins, Tommy W.; Rogers, Robin D.","Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applications","New Journal of Chemistry","2011","35","8","1701","","10.1039/c0nj00889c","","","0.71073","MoKα","","0.0284","0.0214","","","0.0526","0.0549","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052670","8.2439","0.0003","21.1076","0.0009","22.4715","0.0008","90","","90","","90","","3910.2","0.3","93.15","","93.15","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","N,N-diethyl-1,3-propanediamine biphenyldithiolate cadmium(ii)","N,N-diethyl-1,3-propanediamine biphenyldithiolate cadmium(II)","","- C19 H26 Cd N2 S2 -","- C19 H26 Cd N2 S2 -","- C152 H208 Cd8 N16 S16 -","8","1","","Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei","Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers","New Journal of Chemistry","2011","35","6","1265","","10.1039/c1nj20042a","","x-ray","0.71073","MoKα","","0.032","0.0285","","","0.0638","0.0657","","","","","","1.161","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052681","14.7482","0.0017","21.214","0.003","25.12","0.003","90","","90","","90","","7859.3","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H47 B N7 Rh -","- C48 H47 B N7 Rh -","- C384 H376 B8 N56 Rh8 -","8","1","","Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.","Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability","New Journal of Chemistry","2011","35","8","1730","","10.1039/c1nj20094a","","","0.71073","MoKα","","0.3212","0.0856","","","0.1576","0.2637","","","","","","0.893","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052685","10.989","0.004","11.905","0.004","23.737","0.007","90","","90","","90","","3105.4","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7.5 Cl0.5 N O2 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","","Majumdar, K. C.; Ganai, Sintu; Nandi, Raj Kumar","Regioselective synthesis of pyrimidine-annulated spiro-dihydrofurans by silver-catalyzed 5-endo-dig cyclization","New Journal of Chemistry","2011","35","7","1355","","10.1039/c1nj20121b","","","0.71073","MoKα","","0.0486","0.0413","","","0.1134","0.1195","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052709","19.605","0.005","15.173","0.005","23.927","0.005","90","","90","","90","","7117","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H72 Br4 Cl0 N4 Pd2 -","- C62 H72 Br4 N4 Pd2 -","- C248 H288 Br16 N16 Pd8 -","4","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.1095","0.0672","","","0.1729","0.1906","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052710","19.46","0.005","15.257","0.005","23.428","0.005","90","","90","","90","","6956","3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H76 Cl8 N4 Pd2 -","- C62 H72 Cl4 N4 Pd2 -","- C248 H288 Cl16 N16 Pd8 -","4","0.5","","Vasudevan, Kalyan V.; Cowley, Alan H.","New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand","New Journal of Chemistry","2011","35","10","2043","","10.1039/c1nj20128j","","","0.71069","MoKα","","0.1088","0.0557","","","0.1312","0.1456","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052718","17.267","0.003","14.598","0.002","31.643","0.005","90","","90","","90","","7976","2","305","2","305","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C30 H37 Cl F6 N3 O2 P Ru S2 -","- C30 H37 Cl F6 N3 O2 P Ru S2 -","- C240 H296 Cl8 F48 N24 O16 P8 Ru8 S16 -","8","1","","Duan, Gongping; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Synthesis and photochromic studies of η6-mesitylene ruthenium(ii) complexes bearing N-heterocyclic carbene ligands with the dithienylethene moiety","New Journal of Chemistry","2011","35","10","2267","","10.1039/c1nj20161a","","","0.71073","MoKα","","0.1467","0.0994","","","0.2443","0.2715","","","","","","1.135","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052742","15.8305","0.001","14.9065","0.0009","21.3107","0.0013","90","","90","","90","","5028.8","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H43 Ca N5 Si2 -","- C17 H43 Ca N5 Si2 -","- C136 H344 Ca8 N40 Si16 -","8","1","","Buffet, Jean-Charles; Davin, Julien P.; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure, and ring-opening polymerization activity towards lactide monomers","New Journal of Chemistry","2011","35","10","2253","","10.1039/c1nj20259f","","","0.71073","MoKα","","0.0591","0.0358","","","0.0722","0.0778","","","","","","0.86","","","","has coordinates,has disorder","180081","2020-10-21","18:00:00",""
"7052750","21.093","0.009","16.109","0.005","21.823","0.006","90","","90","","90","","7415","4","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 I P Rh -","- C18 H25 I P Rh -","- C288 H400 I16 P16 Rh16 -","16","2","","Janssen (née Kirleis), Karin; Butenschön, Holger","New cyclopentadienylethylphosphane chelate complexes with unsymmetrical phosphane substitution","New Journal of Chemistry","2011","35","10","2287","","10.1039/c1nj20292h","","","0.71073","MoKα","","0.0609","0.0361","","","0.0835","0.0881","","","","","","0.95","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052880","28.539","0.004","17.712","0.002","36.055","0.004","90","","90","","90","","18225","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O6 -","- C56 H52 N4 O6 -","- C896 H832 N64 O96 -","16","2","","Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal","Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies","New Journal of Chemistry","2012","36","4","988","","10.1039/c2nj20904g","","","0.71073","MoKα","","0.135","0.0967","","","0.1662","0.1797","","","","","","1.186","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052894","8.197","0.0008","12.4418","0.00014","21.9418","0.0003","90","","90","","90","","2237.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 B Zr -","- C13 H15 B Zr -","- C104 H120 B8 Zr8 -","8","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes ‒ evaluation of potential η6‒η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","1.54184","CuKα","","0.0187","0.018","","","0.0475","0.048","","","","","","1.088","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052993","11.8565","0.0011","11.048","0.0008","20.2252","0.0016","90","","90","","90","","2649.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N5 O4 Zn -","- C13 H11 N5 O4 Zn -","- C104 H88 N40 O32 Zn8 -","8","1","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.0319","0.0283","","","0.0646","0.0666","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053168","8.852","0.006","14.382","0.009","24.096","0.014","90","","90","","90","","3068","3","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H28 Ru -","- C18 H28 Ru -","- C144 H224 Ru8 -","8","1","","Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.","Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre","New Journal of Chemistry","2013","37","11","3433","","10.1039/c3nj00429e","","","0.71075","MoKa","","","0.0353","","","","0.0849","","","","","","1.066","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053189","16.2048","0.0005","12.3116","0.0004","19.4697","0.0006","90","","90","","90","","3884.3","0.2","180","2","180","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cl2 F6 N4 O P Ru -","- C15 H11 Cl2 F6 N4 O P Ru -","- C120 H88 Cl16 F48 N32 O8 P8 Ru8 -","8","1","","Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto","Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes","New Journal of Chemistry","2013","37","11","3518","","10.1039/c3nj00558e","","x-ray","0.71073","MoKα","","0.0438","0.0313","","","0.0727","0.0814","","","","","","1.064","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053217","18.9987","0.0003","14.3343","0.0003","25.2809","0.0017","90","","90","","90","","6884.8","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-((4-(dibutylamino)phenyl)ethynyl)-6,6-diphenyl-6H-benzo[e]benzo[4,5] oxazolo[3,2-c][1,3,2]oxazaborinin-7-ium-6-uide","","- C41 H39 B N2 O2 -","- C41 H39 B N2 O2 -","- C328 H312 B8 N16 O16 -","8","1","","Massue, Julien; Retailleau, Pascal; Ulrich, Gilles; Ziessel, Raymond","Synthesis of luminescent BPh2-coordinated 2-(2′-hydroxyphenyl)benzoxazole (HBO)","New Journal of Chemistry","2013","37","4","1224","","10.1039/c3nj41052h","","","1.54187","CuKα","","0.098","0.0612","","","0.1641","0.2191","","","","","","1.165","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053296","17.685","0.002","17.185","0.002","17.758","0.003","90","","90","","90","","5397","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Chloro-tris(5-phenylpyrazole)zinc(II) chloride","","- C27 H24 Cl2 N6 Zn -","- C27 H24 Cl2 N6 Zn -","- C216 H192 Cl16 N48 Zn8 -","8","1","","Day, Jonathan; Marriott, Katie E. R.; Kilner, Colin A.; Halcrow, Malcolm A.","The effect of different ligand substituents on the chemistry of a zinc‒pyrazole anion host","New Journal of Chemistry","2010","34","1","52","","10.1039/b9nj00412b","","","0.71073","MoKα","","0.0542","0.0301","","","0.066","0.0766","","","","","","1.052","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053300","12.602","0.001","19.3023","0.0015","34.983","0.003","90","","90","","90","","8509.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tetramethylammonium pentacarbonyl((2-phenylthiazol-5- yl)carbonyl)tungstate(1-)","Tetramethylammonium pentacarbonyl[(2-phenylthiazol-5- yl)carbonyl]tungstate(1-)","","- C19 H18 N2 O6 S W -","- C19 H18 N2 O6 S W -","- C304 H288 N32 O96 S16 W16 -","16","2","","Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.","Fischer-type tungsten acyl (carbeniate), carbene and carbyne complexes bearing C5-attached thiazolyl substituents: interaction with gold(i) fragments","New Journal of Chemistry","2010","34","3","458","","10.1039/b9nj00413k","","","0.71073","MoKα","","0.0309","0.0241","","","0.0547","0.0572","","","","","","1.049","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053325","21.4","0.001","19.73","0.001","30.49","0.002","90","","90","","90","","12873.5","1.2","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C94 F48 -","- C94 F48 -","- C752 F384 -","8","1","","Gruzinskaya, Natalia I.; Silin, Andrey I.; Pimenova, Anna S.; Khavrel, Pavel A.; Markov, Vitaliy Yu.; Sidorov, Lev N.; Kemnitz, Erhard; Troyanov, Sergey I.","Synthesis and structure of cycloperfluoroalkylated derivatives of C70, C70(C2F4) and C70(C4F8)n, n = 1‒6","New Journal of Chemistry","2010","34","2","243","","10.1039/b9nj00444k","","","0.905","synchrotron","","0.194","0.0793","","","0.1823","0.1983","","","","","","1.199","","","","has coordinates","180087","2020-10-21","18:00:00",""
"7053401","11.0219","0.0004","15.3857","0.0005","16.9442","0.0006","90","","90","","90","","2873.39","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 F3 N2 O3 S -","- C12 H15 F3 N2 O3 S -","- C96 H120 F24 N16 O24 S8 -","8","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Amidinium based ionic liquids","New Journal of Chemistry","2010","34","6","1184","","10.1039/b9nj00625g","","","0.71073","MoKα","","0.0621","0.0364","","","0.0885","0.0963","","","","","","1.074","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053412","16.86","0.003","22.734","0.005","23.243","0.005","90","","90","","90","","8909","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H80 N30 Ni6 O13 -","- C78 H80 N30 Ni6 O13 -","- C312 H320 N120 Ni24 O52 -","4","0.5","","Sun, Baiwang; Chen, Xiaodan; Li, Zhongshu; Zhang, Lei; Zhao, Qihua","A novel large Ni-azido circle with tridentate (NNO) Schiff base co-ligands: hexagonal structure and ferromagnetic properties","New Journal of Chemistry","2010","34","2","190","","10.1039/b9nj00646j","","","0.71073","MoKα","","0.0839","0.0558","","","0.1217","0.1314","","","","","","1.099","","","","has coordinates,has disorder","180088","2020-10-21","18:00:00",""
"7053425","23.589","0.004","19.661","0.003","8.559","0.002","90","","90","","90","","3969.5","1.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 F12 N3 O P2 -","- C13 H15 F12 N3 O P2 -","- C104 H120 F96 N24 O8 P16 -","8","1","","Kannappan, Ramu; Bucher, Christophe; Saint-Aman, Eric; Moutet, Jean-Claude; Milet, Anne; Oltean, Mircea; Métay, Estelle; Pellet-Rostaing, Stéphane; Lemaire, Marc; Chaix, Carole","Viologen-based redox-switchable anion-binding receptors","New Journal of Chemistry","2010","34","7","1373","","10.1039/b9nj00757a","","","1.54178","CuKα","","0.0717","0.0717","","0.1152","","0.1152","","","2.001","","","2.001","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7053438","9.0879","0.0004","9.1648","0.0004","29.408","0.0014","90","","90","","90","","2449.36","0.19","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C120 H104 N24 O8 -","8","1","","Beyer, Beatrice; Ulbricht, Christoph; Winter, Andreas; Hager, Martin D.; Hoogenboom, Richard; Herzer, Nicole; Baumann, Stefan O.; Kickelbick, Guido; Görls, Helmar; Schubert, Ulrich S.","Unexpected metal-mediated oxidation of hydroxymethyl groups to coordinated carboxylate groups by bis-cyclometalated iridium(iii) centers","New Journal of Chemistry","2010","34","11","2622","","10.1039/b9nj00785g","","","0.71073","MoKα","","0.056","0.0461","","","0.1254","0.1377","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053447","9.811","0.0001","17.193","0.0003","24.807","0.0005","90","","90","","90","","4184.46","0.12","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 As F12 O3 -","- C20 H13 As F12 O3 -","- C160 H104 As8 F96 O24 -","8","1","","Jiang, Xin-Dong; Matsukawa, Shiro; Fukuzaki, Yuta; Yamamoto, Yohsuke","Formation of epoxides from pentacoordinated organoarsenic compounds with a β-hydroxyethyl group","New Journal of Chemistry","2010","34","8","1623","","10.1039/c0nj00035c","","","0.71069","MoKα","","0.0462","0.0398","","","0.1146","0.1305","","","","","","1.123","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053458","16.5356","0.0012","18.6466","0.0014","29.656","0.002","90","","90","","90","","9143.9","1.1","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H86 B12 N O -","- C35 H86 B12 N2 O -","- C280 H688 B96 N16 O8 -","8","1","","El-Zaria, Mohamed E.; Genady, Afaf R.; Nakamura, Hiroyuki","Synthesis of triazolyl methyl-substituted amino- and oxy-undecahydrododecaborates for potential application in boron neutron capture therapy","New Journal of Chemistry","2010","34","8","1612","","10.1039/c0nj00046a","","","0.71073","MoKα","","0.1322","0.0927","","","0.1717","0.1905","","","","","","1.049","","","","has coordinates,has disorder","180088","2020-10-21","18:00:00",""
"7053517","18.0486","0.0002","15.7241","0.0001","25.824","0.0002","90","","90","","90","","7328.8","0.11","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H51 B K N O6 -","- C37 H51 B K N O6 -","- C296 H408 B8 K8 N8 O48 -","8","1","","Bresner, Christopher; Haynes, Cally J. E.; Addy, David A.; Broomsgrove, Alexander E. J.; Fitzpatrick, Philip; Vidovic, Dragoslav; Thompson, Amber L.; Fallis, Ian A.; Aldridge, Simon","Comparative structural and thermodynamic studies of fluoride and cyanide binding by PhBMes2 and related triarylborane Lewis acids","New Journal of Chemistry","2010","34","8","1652","","10.1039/c0nj00120a","","","0.71073","MoKα","","0.0884","0.0459","","0.088","0.0468","0.0468","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053529","14.6288","0.0002","21.8473","0.0003","37.9734","0.0006","90","","90","","90","","12136.3","0.3","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55.5 H90 Ca Ga2 N2 O8 -","- C55.5 H90 Ca Ga2 N2 O8 -","- C444 H720 Ca8 Ga16 N16 O64 -","8","1","","Langer, Jens; Krieck, Sven; Görls, Helmar; Kreisel, Günter; Seidel, Wolfgang; Westerhausen, Matthias","Organic heterobimetallic complexes of the alkaline earth metals (Ae = Ca, Sr, Ba) with tetrahedral metallate anions of three-valent metals (M = B, Al, Ga, and V)","New Journal of Chemistry","2010","34","8","1667","","10.1039/c0nj00136h","","","0.71073","MoKα","","0.1634","0.0824","","","0.2136","0.2589","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053676","12.378","0.003","16.829","0.003","17.805","0.004","90","","90","","90","","3708.9","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cl Cr N O -","- C21 H21 Cl Cr N O -","- C168 H168 Cl8 Cr8 N8 O8 -","8","1","","Sun, Mingtai; Mu, Ying; Wu, Qiaolin; Gao, Wei; Ye, Ling","Synthesis, structures and ethylene polymerization behavior of half-metallocene chromium(iii) catalysts bearing salicylaldiminato ligands","New Journal of Chemistry","2010","34","12","2979","","10.1039/c0nj00439a","","","0.71073","MoKα","","0.0409","0.0319","","","0.0831","0.0872","","","","","","1.077","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053685","12.7649","0.0002","14.3247","0.0002","15.5038","0.0002","90","","90","","90","","2834.92","0.07","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H30 F12 N2 O4 P2 -","- C22 H30 F12 N2 O4 P2 -","- C88 H120 F48 N8 O16 P8 -","4","0.5","","Fernando, Isurika R.; Bairu, Semere G.; Ramakrishna, Guda; Mezei, Gellert","Single-color pseudorotaxane-based temperature sensing","New Journal of Chemistry","2010","34","10","2097","","10.1039/c0nj00541j","","","0.71073","MoKα","","0.1419","0.0871","","","0.2767","0.3066","","","","","","1.742","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053759","13.2563","0.0015","7.6962","0.0009","22.855","0.003","90","","90","","90","","2331.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Cornago, Pilar; Cabildo, Pilar; Claramunt, Rosa M.; Bouissane, Latifa; Pinilla, Elena; Torres, M. Rosario; Elguero, José","The annular tautomerism of the curcuminoid NH-pyrazoles","New Journal of Chemistry","2009","33","1","125","","10.1039/b812018h","","","0.71073","MoKα","","0.1252","0.0508","","","0.132","0.1768","","","","","","1.034","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053761","13.2363","0.0013","8.2769","0.0008","30.673","0.003","90","","90","","90","","3360.4","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C160 H160 N16 O16 -","8","1","","Cornago, Pilar; Cabildo, Pilar; Claramunt, Rosa M.; Bouissane, Latifa; Pinilla, Elena; Torres, M. Rosario; Elguero, José","The annular tautomerism of the curcuminoid NH-pyrazoles","New Journal of Chemistry","2009","33","1","125","","10.1039/b812018h","","","0.71073","MoKα","","0.1168","0.0507","","","0.1267","0.1848","","","","","","1.074","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053771","19.12","0.004","8.8777","0.0016","28.301","0.005","90","","90","","90","","4803.9","1.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O5 S4 -","- C22 H22 O5 S4 -","- C176 H176 O40 S32 -","8","1","","Zhao, Yao-Peng; Wang, Xiao-Jun; Wang, Jing-Jing; Si, Gang; Liu, Yan; Tung, Chen-Ho; Wu, Li-Zhu","Tetrathiafulvalene derivatives bearing a crown ether with intramolecular charge transfer properties: synthesis and cation binding studies","New Journal of Chemistry","2009","33","4","813","","10.1039/b817892e","","","0.71073","MoKα","","0.1069","0.0422","","","0.0874","0.1086","","","","","","1.074","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053787","16.1217","0.0004","12.4587","0.0003","34.4958","0.001","90","","90","","90","","6928.7","0.3","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 Cl4 N4 -","- C42 H26 Cl4 N4 -","- C336 H208 Cl32 N32 -","8","1","","Kimoto, Atsushi; Niitsu, Shimpei; Iwahori, Fumiyasu; Abe, Jiro","Formation of hexaarylbiimidazole heterodimers via the cross recombination of two lophyl radicals","New Journal of Chemistry","2009","33","6","1339","","10.1039/b823277f","","","0.71073","MoKα","","0.1329","0.0708","","","0.1555","0.1922","","","","","","1.012","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053822","8.6251","0.0005","10.6442","0.0008","24.3193","0.0016","90","","90","","90","","2232.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","dibenzoylmethane","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","neutron","","neutron","","0.0777","0.0776","","","0.146","0.1461","","","","","","1.222","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053823","8.6251","0.0005","10.6442","0.0008","24.3193","0.0016","90","","90","","90","","2232.7","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","dibenzoylmethane","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","neutron","","neutron","","0.0721","0.0721","","","0.1417","0.1417","","","","","","1.222","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053824","8.6594","0.0007","10.7139","0.0011","24.359","0.002","90","","90","","90","","2259.9","0.3","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","dibenzoylmethane","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","neutron","","neutron","","0.0708","0.0708","","","0.1368","0.1368","","","","","","1.192","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053825","8.6886","0.0005","10.7434","0.0007","24.4019","0.0016","90","","90","","90","","2277.8","0.2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","dibenzoylmethane","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","neutron","","neutron","","0.0714","0.0714","","","0.1463","0.1463","","","","","","1.347","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053826","8.723","0.003","10.7969","0.0012","24.4233","0.0016","90","","90","","90","","2300.2","0.8","240","2","240","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","dibenzoylmethane","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","neutron","","neutron","","0.0761","0.0761","","","0.1539","0.1539","","","","","","1.502","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053827","8.7652","0.0008","10.8627","0.0009","24.513","0.002","90","","90","","90","","2334","0.3","280","2","280","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","dibenzoylmethane","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","neutron","","neutron","","0.067","0.067","","","0.1284","0.1284","","","","","","1.318","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053828","8.6251","0.0005","10.6442","0.0008","24.3193","0.0016","90","","90","","90","","2232.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","","1.54186","CuKα","","0.0468","0.0382","","","0.0924","0.1018","","","","","","1.337","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053829","8.6594","0.0007","10.7139","0.0011","24.359","0.002","90","","90","","90","","2259.9","0.3","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","","1.54186","CuKα","","0.0868","0.0376","","","0.0677","0.1074","","","","","","1.166","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053830","8.6886","0.0005","10.7434","0.0007","24.4019","0.0016","90","","90","","90","","2277.8","0.2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","","1.54186","CuKα","","0.044","0.0349","","","0.0855","0.0932","","","","","","1.082","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053831","8.7228","0.001","10.7969","0.0012","24.423","0.003","90","","90","","90","","2300.1","0.5","240","2","240","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","","1.54186","CuKα","","0.0619","0.0382","","","0.0746","0.0938","","","","","","1.13","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053832","8.7652","0.0008","10.8627","0.0009","24.513","0.002","90","","90","","90","","2334","0.3","280","2","280","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","","1.54186","CuKα","","0.0553","0.0396","","","0.0915","0.1108","","","","","","1.117","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053833","8.7669","0.0006","10.8752","0.0008","24.5043","0.0018","90","","90","","90","","2336.3","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","dibenzoylmethane","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Thomas, Lynne H.; Florence, Alastair J.; Wilson, Chick C.","Hydrogen atom behaviour imaged in a short intramolecular hydrogen bond using the combined approach of X-ray and neutron diffraction","New Journal of Chemistry","2009","33","12","2486","","10.1039/b908915b","","","1.54186","CuKα","","0.0586","0.0371","","","0.087","0.1096","","","","","","1.096","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053885","13.633","0.0014","9.7606","0.0011","21.294","0.003","90","","90","","90","","2833.5","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H8 B F2 N3 O S -","- C17 H8 B F2 N3 O S -","- C136 H64 B8 F16 N24 O8 S8 -","8","1","","Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang","Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes","New Journal of Chemistry","2014","38","3","1277","","10.1039/c3nj01361h","","","0.71073","MoKα","","0.1004","0.0625","","","0.1515","0.1821","","","","","","1.044","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053970","11.6141","0.0003","17.4168","0.0005","21.0756","0.0008","90","","90","","90","","4263.2","0.2","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Compound 10","","","- C12 H26 Al2 Cl4 N2 -","- C12 H26 Al2 Cl4 N2 -","- C96 H208 Al16 Cl32 N16 -","8","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.212","0.0876","","","0.2039","0.2776","","","","","","1.019","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053972","10.9102","0.0003","20.2966","0.0005","21.7692","0.0007","90","","90","","90","","4820.6","0.2","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Compound 14[AlCl4]","","","- C16 H30 Al Cl4 N3 -","- C16 H30 Al Cl4 N3 -","- C128 H240 Al8 Cl32 N24 -","8","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.2139","0.0881","","","0.1997","0.2505","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054026","7.1301","0.0003","12.8192","0.0005","21.3279","0.0007","90","","90","","90","","1949.42","0.13","295","0.2","295","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cu N2 O5 -","- C8 H10 Cu N2 O5 -","- C64 H80 Cu8 N16 O40 -","8","1","","Świtlicka-Olszewska, Anna; Machura, Barbara; Mroziński, Jerzy; Kalińska, Bożena; Kruszynski, Rafał; Penkala, Mateusz","Effect of N-donor ancillary ligands on structural and magnetic properties of oxalate copper(ii) complexes","New Journal of Chemistry","2014","38","4","1611","","10.1039/c3nj01541f","","","0.71073","MoKα","","0.032","0.0261","","","0.0717","0.0735","","","","","","1.087","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054053","21.66396","0.00016","23.9589","0.00014","18.11334","0.00012","90","","90","","90","","9401.63","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C87.5 H81.5 N8.5 O26.5 Zn7 -","- C80 H60 N6 O22 Zn7 -","- C320 H240 N24 O88 Zn28 -","4","0.5","","Chen, Kai-Jie; He, Chun-Ting; Liao, Pei-Qin; Wei, Yong-Sheng; Zhang, Peng-Xiang; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible, porous, cluster-based Zn-pyrazolate-dicarboxylate framework showing selective adsorption properties","New Journal of Chemistry","2014","38","5","2002","","10.1039/c3nj00918a","","","1.54178","CuKα","","0.0358","0.0325","","","0.0995","0.1026","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054063","23.156","0.001","8.0465","0.0003","26.901","0.001","90","","90","","90","","5012.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F6 N8 O6 S2 -","- C18 H18 F6 N8 O6 S2 -","- C144 H144 F48 N64 O48 S16 -","8","1","","Aguiló, Joan; Naeimi, Atena; Bofill, Roger; Mueller-Bunz, Helge; Llobet, Antoni; Escriche, Lluís; Sala, Xavier; Albrecht, Martin","Dinuclear ruthenium complexes containing a new ditopic phthalazin-bis(triazole) ligand that promotes metal‒metal interactions","New Journal of Chemistry","2014","38","5","1980","","10.1039/c3nj01209c","","","0.71073","MoKα","","0.0918","0.087","","","0.164","0.1661","","","","","","1.194","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054163","15.1432","0.0011","7.6866","0.0005","22.3032","0.0016","90","","90","","90","","2596.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","\7","(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olate","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.043","0.0379","","","0.0973","0.1011","","","","","","1.019","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054225","6.9071","0.0012","13.1487","0.0019","26.875","0.004","90","","90","","90","","2440.8","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 S -","- C14 H12 N2 S -","- C112 H96 N16 S8 -","8","1","","Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer","New Journal of Chemistry","2014","38","8","3737","","10.1039/C4NJ00435C","","","0.71073","MoKα","","0.1023","0.0517","","","0.1079","0.1254","","","","","","0.965","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054231","12.3351","0.0011","20.5728","0.0019","25.918","0.002","90","","90","","90","","6577.1","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H52 N2 Pd S4 -","- C26 H52 N2 Pd S4 -","- C208 H416 N16 Pd8 S32 -","8","1","","Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad","Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives","New Journal of Chemistry","2014","38","9","4083","","10.1039/C4NJ00564C","","","0.71073","MoKα","","0.0731","0.0375","","","0.0817","0.0955","","","","","","1.01","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054342","16.0555","0.0006","24.2744","0.0009","25.2143","0.0012","90","","90","","90","","9827","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(n-tetrabutylammonium)bis(tribenzonitrilesilver)decatungstate","Bis(n-tetrabutylammonium)bis(tribenzonitrilesilver)di-mu5-oxo -icosa-mu-oxo-decaoxodecatungstate","","- C74 H102 Ag2 N8 O32 W10 -","- C74 H102 Ag2 N8 O32 W10 -","- C296 H408 Ag8 N32 O128 W40 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","Organoamine silver(i) decatungstate structures: remarkable chemoselectivity and the exploration of the intramolecular redox reaction upon thermolysis","New Journal of Chemistry","2014","38","8","3408","","10.1039/C4NJ00172A","","","0.71073","MoKα","","0.062","0.0463","","","0.1177","0.1291","","","","","","1.074","","","","has coordinates,has disorder","180097","2020-10-21","18:00:00",""
"7054447","13.2947","0.0005","21.6351","0.0009","37.7271","0.0015","90","","90","","90","","10851.5","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H68 N4 O7 S4 -","- C51 H68 N4 O7 S4 -","- C408 H544 N32 O56 S32 -","8","1","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Yamato, Takehiko","Synthesis and evaluation of a novel ionophore based on a thiacalix[4]arene derivative bearing imidazole units","New J. Chem.","2014","38","12","6041","","10.1039/C4NJ01099J","","","0.71073","MoKα","","0.0725","0.0497","","","0.1268","0.1426","","","","","","1.051","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054485","14.5573","0.0013","7.5523","0.0007","19.5093","0.0014","90","","90","","90","","2144.9","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","bisammonium 4,5-bis(1-oxido-tetrazolyl)furazane","bisammonium 4,5-bis(1-oxido-tetrazolyl)furazane","","- C4 H8 N12 O3 -","- C4 H8 N12 O3 -","- C32 H64 N96 O24 -","8","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0865","0.0465","","","0.0782","0.0959","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054497","12.3157","0.0012","19.6569","0.0019","22.945","0.002","90","","90","","90","","5554.7","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H41 Au N P S2 -","- C27 H41 Au N P S2 -","- C216 H328 Au8 N8 P8 S16 -","8","1","","Altaf, Muhammad; Monim-ul-Mehboob, M.; Isab, Anvarhusein A.; Dhuna, Vikram; Bhatia, Gaurav; Dhuna, Kshitija; Altuwaijri, Saleh","The synthesis, spectroscopic characterization and anticancer activity of new mono and binuclear phosphanegold(i) dithiocarbamate complexes","New J. Chem.","2015","39","1","377","","10.1039/C4NJ00747F","","","0.71073","MoKα","","0.0541","0.0277","","","0.0587","0.0623","","","","","","0.793","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7054547","13.647","0.0003","12.4533","0.0002","22.0643","0.0004","90","","90","","90","","3749.83","0.12","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Br F7 N2 O -","- C18 H18 Br F7 N2 O -","- C144 H144 Br8 F56 N16 O8 -","8","1","","Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari","Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions","New J. Chem.","2015","39","1","746","","10.1039/C4NJ01654H","","","0.71073","MoKα","","0.0745","0.047","","","0.109","0.1189","","","","","","1.037","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054549","12.6104","0.0002","10.35013","0.00019","37.1231","0.0008","90","","90","","90","","4845.28","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H16.86 Fe2 N12 O8.43 S5 -","- C4 H16 Fe2 N12 O8.43 S5 -","- C32 H128 Fe16 N96 O67.44 S40 -","8","1","","Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V.","Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+","New J. Chem.","2015","39","2","1022","","10.1039/C4NJ01693A","","","0.7107","MoKα","","0.0725","0.0583","","","0.0908","0.0945","","","","","","1.245","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054658","7.8846","0.0003","27.1172","0.0012","20.7714","0.0009","90","","90","","90","","4441.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl F N4 O2 -","- C26 H20 Cl F N4 O2 -","- C208 H160 Cl8 F8 N32 O16 -","8","1","","Turkoglu, Gulsen; Berber, Halil; Kani, Ibrahim","Synthesis, crystal structure, optical and electrochemical properties of novel diphenylether-based formazan derivatives","New J. Chem.","2015","39","4","2728","","10.1039/C4NJ02353F","","","0.71073","MoKα","","0.1504","0.0522","","","0.1038","0.1506","","","","","","1.018","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054660","12.3453","0.0012","12.0038","0.0012","20.971","0.002","90","","90","","90","","3107.7","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 N O9 Zn -","- C11 H17 N O9 Zn -","- C88 H136 N8 O72 Zn8 -","8","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0518","0.0422","","","0.1108","0.1186","","","","","","1.056","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054673","13.3215","0.001","12.3215","0.0009","16.7717","0.0012","90","","90","","90","","2752.9","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Cu2 N10 O6 S2 -","- C24 H18 Cu2 N10 O6 S2 -","- C96 H72 Cu8 N40 O24 S8 -","4","0.5","","Hazra, Susanta; Karmakar, Anirban; Guedes da Silva, Maria de Fátima C.; Dlháň, L'ubor; Boča, Roman; Pombeiro, Armando J. L.","Sulfonated Schiff base dinuclear and polymeric copper(ii) complexes: crystal structures, magnetic properties and catalytic application in Henry reaction","New J. Chem.","2015","39","5","3424","","10.1039/C5NJ00330J","","","0.71069","MoKα","","0.0472","0.0366","","","0.0946","0.0989","","","","","","1.11","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054726","8.8012","0.0005","13.0262","0.0008","25.0491","0.0015","90","","90","","90","","2871.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N4 O6 P -","- C10 H15 N4 O6 P -","- C80 H120 N32 O48 P8 -","8","1","","Gholivand, Khodayar; Molaei, Foroogh","Synthesis and structural study of some new phosphorus(v) hydrazide compounds: spectroscopic evidence and a theoretical approach","New J. Chem.","2015","39","5","3747","","10.1039/C5NJ00135H","","","0.71073","MoKα","","0.0434","0.034","","","0.0871","0.0925","","","","","","1.062","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054763","13.9246","0.0019","22.628","0.003","25.869","0.004","90","","90","","90","","8151","2","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H67 N3 P Sc -","- C40 H67 N3 P Sc -","- C320 H536 N24 P8 Sc8 -","8","1","","Lv, Yingdong; Zhou, Jiliang; Leng, Xuebing; Chen, Yaofeng","Substitution reaction of triphenylphosphine oxide with rare-earth metal phosphido methyl complexes","New J. Chem.","2015","39","10","7582","","10.1039/C5NJ00335K","","","0.71073","MoKα","","0.1215","0.0569","","","0.1285","0.1567","","","","","","1.02","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054794","15.5295","0.0008","23.5505","0.0012","33.0018","0.0018","90","","90","","90","","12069.7","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Li N5 O Si6 Y -","- C40 H77 Li N5 O Si6 Y -","- C320 H616 Li8 N40 O8 Si48 Y8 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.1428","0.0564","","","0.1075","0.1193","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054795","15.5306","0.001","23.5561","0.0015","32.975","0.002","90","","90","","90","","12063.6","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Er Li N5 O Si6 -","- C40 H77 Er Li N5 O Si6 -","- C320 H616 Er8 Li8 N40 O8 Si48 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.0815","0.042","","","0.1063","0.1167","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054796","15.5608","0.0014","23.561","0.002","33.081","0.003","90","","90","","90","","12128.4","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H77 Dy Li N5 O Si6 -","- C40 H77 Dy Li N5 O Si6 -","- C320 H616 Dy8 Li8 N40 O8 Si48 -","8","1","","Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng","Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene","New J. Chem.","2015","39","10","7626","","10.1039/C5NJ00409H","","","0.71073","MoKα","","0.1452","0.0689","","","0.2024","0.2316","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054832","13.163","0.007","20.032","0.011","23.737","0.013","90","","90","","90","","6259","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H24 F Ir N6 -","- C35 H24 F Ir N6 -","- C280 H192 F8 Ir8 N48 -","8","1","","Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu","Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands","New J. Chem.","2015","39","7","5293","","10.1039/C5NJ00195A","","","0.71073","MoKα","","0.078","0.0421","","","0.0713","0.0791","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054856","11.8979","0.0007","14.6707","0.0007","37.397","0.002","90","","90","","90","","6527.7","0.6","150.01","0.11","150.01","0.11","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H45 Ce I2 O2 Si3 -","- C22 H45 Ce I2 O2 Si3 -","- C176 H360 Ce8 I16 O16 Si24 -","8","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.1065","0.0589","","","0.07","0.0802","","","","","","1.073","","","","has coordinates","162066","2020-10-21","18:00:00",""
"7054898","12.7123","0.001","20.3964","0.0015","24.7167","0.0019","90","","90","","90","","6408.7","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Si4 Th -","- C28 H48 Si4 Th -","- C224 H384 Si32 Th8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0605","0.0372","","","0.074","0.0835","","","","","","1.022","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054899","12.6598","0.0012","20.3542","0.0018","24.645","0.002","90","","90","","90","","6350.5","1","473","2","473","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 Si4 U -","- C28 H48 Si4 U -","- C224 H384 Si32 U8 -","8","1","","Rausch, Janek; Apostolidis, Christos; Walter, Olaf; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Kühling, Marcel; Busse, Sabine; Edelmann, Frank T.","One ligand fits all: lanthanide and actinide sandwich complexes comprising the 1,4-bis(trimethylsilyl)cyclooctatetraenyl (=COT′′) ligand","New J. Chem.","2015","39","10","7656","","10.1039/C5NJ00991J","","","0.71073","MoKα","","0.0362","0.0238","","","0.065","0.0838","","","","","","1.17","","","","has coordinates","162127","2020-10-21","18:00:00",""
"7054915","7.2856","0.0005","18.1056","0.0011","27.2497","0.0014","90","","90","","90","","3594.5","0.4","171.2","","171.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-1-(4-(dimethylamino)phenyl)-2-(phenanthridin-6-yl)ethenol difluoroboron","","- C23 H19 B F2 N2 O -","- C23 H19 B F2 N2 O -","- C184 H152 B8 F16 N16 O8 -","8","1","","Wu, Ding-Er; Lu, Xiao-Lin; Xia, Min","Study on the solution and solid-state fluorescence of novel BF2complexes with (Z)-2-[phenanthridin-6(5H)-ylidene]-1-phenylethanone and its derivatives as ligands","New J. Chem.","2015","39","8","6465","","10.1039/C5NJ00926J","","","0.71073","MoKα","","0.0633","0.0414","","","0.0935","0.1039","","","","","","1.029","","","","has coordinates","153251","2020-10-21","18:00:00",""
"7054956","19.7665","0.0004","17.7155","0.0004","23.8071","0.0006","90","","90","","90","","8336.6","0.3","150","2","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H56 B N Ni O2 P2 -","- C45 H56 B N Ni O2 P2 -","- C360 H448 B8 N8 Ni8 O16 P16 -","8","1","","Salah, Abderrahmen; Corpet, Martin; ul-Hassan Khan, Najm; Zargarian, Davit; Spasyuk, Denis M.","Synthesis of unsymmetrical 5,6-POCOP′-type pincer complexes of nickel(ii): impact of nickelacycle size on structures and spectroscopic properties","New J. Chem.","2015","39","8","6649","","10.1039/C5NJ00807G","","","1.54178","CuKα","","0.038","0.0371","","","0.0979","0.0985","","","","","","1.104","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054961","14.0647","0.0004","14.4468","0.0004","15.8435","0.0005","90","","90","","90","","3219.24","0.16","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aluminium isopropoxide betadiketonate","","- C15 H25 Al N2 O3 -","- C15 H25 Al N2 O3 -","- C120 H200 Al8 N16 O24 -","8","1","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","1.54184","CuKα","","0.0568","0.0391","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7054981","16.709","0.003","20.059","0.004","31.916","0.006","90","","90","","90","","10697","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 Cl Mo6 N3 O18 -","- C35 H78 Cl Mo6 N3 O18 -","- C280 H624 Cl8 Mo48 N24 O144 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.0686","0.0565","","","0.1417","0.1487","","","","","","1.044","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7054982","16.882","0.003","20.088","0.004","31.929","0.006","90","","90","","90","","10828","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 I Mo6 N3 O18 -","- C35 H78 I Mo6 N3 O18 -","- C280 H624 I8 Mo48 N24 O144 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.0883","0.0657","","","0.142","0.1528","","","","","","1.114","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7054983","16.779","0.003","20.069","0.004","31.884","0.006","90","","90","","90","","10737","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H78 Cl0.5 Mo6 N3.5 O19.5 -","- C35 H78 Cl0.5 Mo6 N3.5 O19.5 -","- C280 H624 Cl4 Mo48 N28 O156 -","8","1","","Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge","Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates","New J. Chem.","2016","40","2","906","","10.1039/C5NJ01090J","","","0.71073","MoKα","","0.068","0.0583","","","0.1299","0.1343","","","","","","1.051","","","","has coordinates,has disorder","177884","2020-10-21","18:00:00",""
"7055029","11.9328","0.001","12.2111","0.001","18.6534","0.0016","90","","90","","90","","2718","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","compound-1","","- C11 H10 Cl2 Cu N2 Se2 -","- C11 H10 Cl2 Cu N2 Se2 -","- C88 H80 Cl16 Cu8 N16 Se16 -","8","1","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0285","0.0203","","","0.0924","0.1039","","","","","","0.852","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055034","10.2403","0.0003","11.4552","0.0003","14.8043","0.0004","90","","90","","90","","1736.61","0.08","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","compound-6","","- C14 H16 Cl2 Cu N2 Se2 -","- C14 H16 Cl2 Cu N2 Se2 -","- C56 H64 Cl8 Cu4 N8 Se8 -","4","0.5","","Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz","Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis","New J. Chem.","2015","39","10","7948","","10.1039/C5NJ01400J","","","0.71073","MoKα","","0.0294","0.0217","","","0.0515","0.0557","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055039","12.2844","0.0002","14.1806","0.0002","23.149","0.0003","90","","90","","90","","4032.56","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H48 Cl2 Cu2 N6 O12 -","- C38 H48 Cl2 Cu2 N6 O12 -","- C152 H192 Cl8 Cu8 N24 O48 -","4","0.5","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","1.54184","CuKα","","0.1021","0.0878","","","0.2612","0.2657","","","","","","1.355","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055063","9.6555","0.0007","13.742","0.0011","19.3339","0.0015","90","","90","","90","","2565.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C120 H96 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides","New J. Chem.","2015","39","11","8720","","10.1039/C5NJ01670C","","","0.71073","MoKα","","0.058","0.0398","","","0.0901","0.1028","","","","","","1.055","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7055088","23.177","0.005","8.5606","0.0017","23.924","0.005","90","","90","","90","","4746.7","1.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N4 O4 S2 -","- C24 H24 N4 O4 S2 -","- C192 H192 N32 O32 S16 -","8","1","","Das, Sangita; Goswami, Shyamaprosad; Aich, Krishnendu; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun","ESIPT and CHEF based highly sensitive and selective ratiometric sensor for Al3+with imaging in human blood cells","New J. Chem.","2015","39","11","8582","","10.1039/C5NJ01468A","","","0.71073","MoKα","","0.1569","0.0623","","","0.1553","0.2121","","","","","","0.962","","","","has coordinates","171316","2020-10-21","18:00:00",""
"7055122","14.1031","0.0012","10.4382","0.0009","17.8607","0.0013","90","","90","","90","","2629.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C120 H112 O40 -","8","1","","Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu","Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives","New J. Chem.","2015","39","12","9611","","10.1039/C5NJ01484K","","","0.71073","MoKα","","0.0651","0.0388","","","0.0925","0.1074","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055145","7.721","0.0006","15.632","0.0012","23.2461","0.0018","90","","90","","90","","2805.7","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Mo O3 -","- C16 H14 Mo O3 -","- C128 H112 Mo8 O24 -","8","1","","Honzíčková, Iva; Vinklárek, Jaromír; Romão, Carlos C.; Růžičková, Zdeňka; Honzíček, Jan","Novel indenyl ligands bearing electron-withdrawing functional groups","New J. Chem.","2016","40","1","245","","10.1039/C5NJ02406D","","","0.71073","MoKα","","0.0469","0.0292","","","0.0597","0.0685","","","","","","1.083","","","","has coordinates","176134","2020-10-21","18:00:00",""
"7055223","9.4731","0.0005","13.5296","0.0008","29.022","0.0018","90","","90","","90","","3719.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl4 N2 O3 Zn2 -","- C12 H16 Cl4 N2 O3 Zn2 -","- C96 H128 Cl32 N16 O24 Zn16 -","8","1","","Sharma, Vinay; Mohammad, Akbar; Mishra, Veenu; Chaudhary, Archana; Kapoor, Kshipra; Mobin, Shaikh M.","Fabrication of innovative ZnO nanoflowers showing drastic biological activity","New J. Chem.","2016","40","3","2145","","10.1039/C5NJ02391B","","","0.71073","MoKα","","0.0622","0.0467","","","0.0804","0.0865","","","","","","1.15","","","","has coordinates","181758","2020-10-21","18:00:00",""
"7055229","8.602","0.0003","21.887","0.0008","22.2344","0.0008","90","","90","","90","","4186.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Li O6 -","- C22 H32 Li O6 -","- C176 H256 Li8 O48 -","8","1","","Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye","Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6","New J. Chem.","2016","40","3","1923","","10.1039/C5NJ02841H","","","0.71073","MoKα","","0.0531","0.0368","","","0.081","0.0918","","","","","","1.025","","","","has coordinates","181765","2020-10-21","18:00:00",""
"7055267","7.3641","0.0007","13.8244","0.0019","16.9502","0.0019","90","","90","","90","","1725.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Au Cl N2 -","- C6 H10 Au Cl N2 -","- C48 H80 Au8 Cl8 N16 -","8","1","","Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen","Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding","New J. Chem.","2016","40","3","1944","","10.1039/C5NJ02860D","","","0.71073","MoKα","","0.0634","0.0357","","","0.0629","0.0709","","","","","","1.021","","","","has coordinates","181757","2020-10-21","18:00:00",""
"7055402","13.389","0.0009","15.3861","0.0013","15.934","0.0007","90","","90","","90","","3282.5","0.4","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N7 Sn -","- C13 H21 N7 Sn -","- C104 H168 N56 Sn8 -","8","1","","Švec, Petr; Bartoš, Karel; Růžičková, Zdeňka; Cuřínová, Petra; Dušek, Libor; Turek, Jan; De Proft, Frank; Růžička, Aleš","C,N-Chelated organotin(iv) azides: synthesis, structure and use within click chemistry","New J. Chem.","2016","40","7","5808","","10.1039/C5NJ03187G","","","0.71073","MoKα","","0.0516","0.0246","","","0.0486","0.0631","","","","","","1.168","","","","has coordinates","185591","2020-10-21","18:00:00",""
"7055417","12.6922","0.0003","8.9547","0.0002","21.1831","0.0006","90","","90","","90","","2407.56","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","1","","Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak","Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids","New J. Chem.","2016","40","6","4981","","10.1039/C5NJ03211C","","","0.71073","MoKα","","0.0523","0.0397","","","0.0953","0.107","","","","","","1.064","","","","has coordinates,has disorder","183733","2020-10-21","18:00:00",""
"7055435","10.8225","0.0004","18.3578","0.0007","32.9471","0.0013","90","","90","","90","","6545.8","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Cl2 N9 O8.5 Ru -","- C29 H30 Cl2 N9 O8.5 Ru -","- C232 H240 Cl16 N72 O68 Ru8 -","8","1","","Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of the lowest excited states in mixed ruthenium(ii) polypyridyl complexes having RuN6cores by the conformation of the ancillary ligand. Emission from a3ligand-to-ligand-charge-transfer state","New J. Chem.","2016","40","6","5002","","10.1039/C5NJ03329B","","","0.71073","MoKα","","0.1181","0.0562","","","0.1251","0.1381","","","","","","0.881","","","","has coordinates","183731","2020-10-21","18:00:00",""
"7055446","16.103","0.005","14.421","0.005","18.511","0.005","90","","90","","90","","4299","2","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H31 Cu N7 O8 -","- C15 H31 Cu N7 O8 -","- C120 H248 Cu8 N56 O64 -","8","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1309","0.1076","","","0.2621","0.2768","","","","","","1.139","","","","has coordinates","185594","2020-10-21","18:00:00",""
"7055455","7.615","0.011","23.48","0.03","36.26","0.05","90","","90","","90","","6483","15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C H O -","- C1.84293 H1.34031 O0.335079 -","- C352 H256 O64 -","191","23.875","","Wang, Xiu-Zhen; Yang, Hui-Hui; Li, Wei; Han, Bing-Jie; Liu, Yun-Jun","Studies on apoptosis in HeLa cells via the ROS-mediated mitochondrial pathway induced by new dibenzoxanthenes","New J. Chem.","2016","40","6","5255","","10.1039/C6NJ00250A","","","0.71073","MoKα","","0.0594","0.0428","","","0.1075","0.1169","","","","","","1.042","","","","has coordinates","183737","2020-10-21","18:00:00",""
"7055496","15.27","0.004","9.4879","0.0019","33.952","0.006","90","","90","","90","","4919","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(3-cyano-6-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)propoxy)-4-methyl-6-phenylnicotinonitrile","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C232 H192 N32 O16 -","8","1","","Rai, Sunil K.; Singh, Praveen; Khanam, Shaziya; Tewari, Ashish K.","Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model","New J. Chem.","2016","40","6","5577","","10.1039/C5NJ03683F","","","0.71073","MoKα","","0.1471","0.0786","","","0.1839","0.2383","","","","","","1.027","","","","has coordinates","183727","2020-10-21","18:00:00",""
"7055500","15.6819","0.0007","10.5814","0.0005","25.5715","0.0014","90","","90","","90","","4243.2","0.4","115","","115","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cu N4 O9 P -","- C16 H17 Cu N4 O9 P -","- C128 H136 Cu8 N32 O72 P8 -","8","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","0.71073","MoKα","","0.0572","0.0362","","","0.0803","0.0889","","","","","","1.03","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055503","16.2508","0.0006","9.204","0.0004","34.9028","0.0015","90","","90","","90","","5220.5","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cu N4 O12 P2 -","- C20 H26 Cu N4 O12 P2 -","- C160 H208 Cu8 N32 O96 P16 -","8","1","","Mitrofanov, Alexander Yu.; Rousselin, Yoann; Guilard, Roger; Brandès, Stéphane; Bessmertnykh-Lemeune, Alla G.; Uvarova, Marina A.; Nefedov, Sergey E.","Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from molecules to infinite supramolecular arrays","New J. Chem.","2016","40","7","5896","","10.1039/C5NJ03572D","","x-ray","1.54178","CuKα","","0.1029","0.0994","","","0.2459","0.248","","","","","","1.181","","","","has coordinates,has disorder","185579","2020-10-21","18:00:00",""
"7055542","9.5272","0.0003","18.5794","0.0006","32.0159","0.0014","90","","90","","90","","5667.1","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H27 Br Cu N2 P -","- C34 H27 Br Cu N2 P -","- C272 H216 Br8 Cu8 N16 P8 -","8","1","","Safin, Damir A.; Vande Velde, Christophe M. L.; Babashkina, Maria G.; Robeyns, Koen; Filinchuk, Yaroslav","Mononuclear heteroleptic complexes of copper(i) with 5-phenyl-2,2′-bipyridine and triphenylphosphine: crystal structures, Hirshfeld surface analysis and luminescence properties","New J. Chem.","2016","40","7","6156","","10.1039/C6NJ00833J","","","0.71073","MoKα","","0.0604","0.0407","","","0.0763","0.0827","","","","","","1.064","","","","has coordinates","185568","2020-10-21","18:00:00",""
"7055575","14.1999","0.0004","13.2826","0.0004","17.8412","0.0005","90","","90","","90","","3365.06","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl2 Cu2 N4 O12 -","- C26 H38 Cl2 Cu2 N4 O12 -","- C104 H152 Cl8 Cu8 N16 O48 -","4","0.5","","Sanyal, Ria; Kundu, Priyanka; Rychagova, Elena; Zhigulin, Grigory; Ketkov, Sergey; Ghosh, Bipinbihari; Chattopadhyay, Shyamal Kumar; Zangrando, Ennio; Das, Debasis","Catecholase activity of Mannich-based dinuclear CuIIcomplexes with theoretical modeling: new insight into the solvent role in the catalytic cycle","New J. Chem.","2016","40","8","6623","","10.1039/C6NJ00105J","","","0.71073","MoKα","","0.0377","0.0279","","","0.0764","0.0823","","","","","","1.03","","","","has coordinates","185621","2020-10-21","18:00:00",""
"7055593","18.139","0.002","8.5173","0.0009","18.1876","0.0016","90","","90","","90","","2809.9","0.5","149.97","0.15","149.97","0.15","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- F10 Ti Xe -","- F10 Ti Xe -","- F160 Ti16 Xe16 -","16","2","","Mazej, Zoran; Goreshnik, Evgeny A.","Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts","New J. Chem.","2016","40","9","7320","","10.1039/C6NJ00955G","","x-ray","0.71073","MoKα","","0.1246","0.0867","","","0.2042","0.2289","","","","","","1.054","","","","has coordinates","186452","2020-10-21","18:00:00",""
"7055611","6.907","0.0007","21.897","0.002","23.151","0.002","90","","90","","90","","3501.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H8 N2 Nd2 O24 -","- C24 H6 N3 Nd2 O26 -","- C96 H24 N12 Nd8 O104 -","4","0.5","","Smith, Jermaine A.; Singh-Wilmot, Marvadeen A.; Carter, Korey P.; Cahill, Christopher L.; Lough, Alan J.; Knee, Christopher S.","Eight rare earth metal organic frameworks and coordination polymers from 2-nitroterephthlate: syntheses, structures, solid-state luminescence and an unprecedented topology","New J. Chem.","2016","40","9","7338","","10.1039/C6NJ00822D","","x-ray","0.71073","MoKα","","0.0523","0.0376","","","0.0871","0.0945","","","","","","1.126","","","","has coordinates,has disorder","186463","2020-10-21","18:00:00",""
"7055679","16.202","0.002","7.6187","0.0011","20.676","0.003","90","","90","","90","","2552.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-dibromo-2-phenyl-1H-indene","","- C15 H10 Br2 -","- C15 H10 Br2 -","- C120 H80 Br16 -","8","1","","Singha, Raju; Ghosh, Munmun; Das, Saikat; Das, Dhiraj; Ray, Jayanta K.","Synthesis of 1,3-dibromo-2-aryl-1H-indenes via NBS mediated unusual bromination of 2-alkynylbenzaldoximes","New J. Chem.","2016","40","9","7269","","10.1039/C6NJ01201A","","","0.71073","MoKα","","0.0543","0.0292","","","0.0623","0.0733","","","","","","1.001","","","","has coordinates","186457","2020-10-21","18:00:00",""
"7055693","17.7839","0.0006","7.6076","0.0003","17.9304","0.0012","90","","90","","90","","2425.9","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 Se -","- C12 H10 Cl2 Se -","- C96 H80 Cl16 Se8 -","8","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","Organoselenium-catalyzed vicinal dichlorination of unsaturated phosphonates","New J. Chem.","2016","40","9","7866","","10.1039/C6NJ00658B","","","1.54184","CuKα","","0.0564","0.0526","","","0.1395","0.1452","","","","","","1.072","","","","has coordinates","186454","2020-10-21","18:00:00",""
"7055733","21.1918","0.0009","23.32","0.0008","26.6459","0.0012","90","","90","","90","","13168.2","0.9","173","2","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H67.5 Cu2 Fe Gd N12.5 O14 -","- C53 H55.5 Cu2 Fe Gd N12.5 O14 -","- C424 H444 Cu16 Fe8 Gd8 N100 O112 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1608","0.0922","","","0.212","0.2434","","","","","","1.102","","","","has coordinates","187159","2020-10-21","18:00:00",""
"7055734","21.0615","0.0009","23.2526","0.0009","26.6468","0.0009","90","","90","","90","","13049.9","0.9","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H74 Cu2 Fe N14 O15 Y -","- C56 H70 Cu2 Fe N14 O15 Y -","- C448 H560 Cu16 Fe8 N112 O120 Y8 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1097","0.0596","","","0.1127","0.1302","","","","","","1.052","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055735","21.085","0.004","23.379","0.005","26.922","0.005","90","","90","","90","","13271","5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H65.5 Cu2 Dy Fe N12.5 O12.5 -","- C51 H52.5 Cu2 Dy Fe N11.5 O14 -","- C408 H420 Cu16 Dy8 Fe8 N92 O112 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.142","0.0758","","","0.1561","0.1842","","","","","","1.039","","","","has coordinates","187159","2020-10-21","18:00:00",""
"7055736","21.134","0.011","23.479","0.012","26.843","0.014","90","","90","","90","","13320","12","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H63.5 Cu2 Fe N11.5 O13.5 Tb -","- C51 H52.5 Cu2 Fe N11.5 O13.5 Tb -","- C408 H420 Cu16 Fe8 N92 O108 Tb8 -","8","1","","Liu, Mei-Jiao; Hu, Kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of trinuclear and one-dimensional heterotrimetallic CuIILnIIIFeIIIcomplexes: unusual antiferromagnetic CuIIFeIIIcoupling via cyano bridges","New J. Chem.","2016","40","10","8643","","10.1039/C6NJ01887D","","","0.71073","MoKα","","0.1439","0.0683","","","0.1819","0.2171","","","","","","1.022","","","","has coordinates,has disorder","187159","2020-10-21","18:00:00",""
"7055821","11.4372","0.0006","19.3","0.001","20.3261","0.0011","90","","90","","90","","4486.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Bi Br5 N4 O -","- C15 H16 Bi Br5 N4 O -","- C120 H128 Bi8 Br40 N32 O8 -","8","1","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Birin, Kirill P.; Laurinavichyute, Veronika K.; Sadovnikov, Alexey A.; Dobrokhotova, Zhanna V.; Kozyukhin, Sergey A.","A hybrid halobismuthate light-harvesting material with an optical band gap of 1.70 eV","New J. Chem.","2016","40","12","10041","","10.1039/C6NJ02333A","","","0.71073","MoKα","","0.0635","0.0371","","","0.0803","0.0895","","","","","","1.044","","","","has coordinates","190234","2020-10-21","18:00:00",""
"7055837","14.5946","0.0003","12.2931","0.0002","14.917","0.0003","90","","90","","90","","2676.3","0.09","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-hydroxodichlorodipyridinenitrosylruthenium","","- C10 H11 Cl2 N3 O2 Ru -","- C10 H11 Cl2 N3 O2 Ru -","- C80 H88 Cl16 N24 O16 Ru8 -","8","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0345","0.0221","","","0.0508","0.0537","","","","","","1.067","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7055838","12.4068","0.0003","14.0336","0.0003","16.9426","0.0004","90","","90","","90","","2949.91","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloride dichloroaquadipyridinenitrosylruthenium","","- C10 H12 Cl3 N3 O2 Ru -","- C10 H12 Cl3 N3 O2 Ru -","- C80 H96 Cl24 N24 O16 Ru8 -","8","1","","Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.","Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]","New J. Chem.","2016","40","12","10267","","10.1039/C6NJ02425D","","","0.71073","MoKα","","0.0319","0.0234","","","0.0838","0.0941","","","","","","0.732","","","","has coordinates","190243","2020-10-21","18:00:00",""
"7055853","7.39817","0.00015","13.0179","0.0002","14.3767","0.0003","90","","90","","90","","1384.6","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis","Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch","New J. Chem.","2016","40","12","10378","","10.1039/C6NJ02381A","","","0.71073","MoKα","","0.0394","0.0378","","","0.1093","0.1108","","","","","","1.064","","","","has coordinates","190249","2020-10-21","18:00:00",""
"7055929","20.338","0.007","16.179","0.005","21.087","0.007","90","","90","","90","","6939","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H41 Cl2 F3 N2 O3 S -","- C30 H41 Cl2 F3 N2 O3 S -","- C240 H328 Cl16 F24 N16 O24 S8 -","8","1","","Zhang, Caiyun; Zhang, Fan; Lv, Shichang; Shi, Min; Zhang, Jun","Facile syntheses of N-heterocyclic carbene precursors through Cu(ii)- or Ag(i)-catalyzed amination of N-alkynyl formamidines","New J. Chem.","2017","41","5","1889","","10.1039/C6NJ03276A","","","0.71073","MoKα","","0.1718","0.073","","","0.1881","0.2294","","","","","","0.911","","","","has coordinates","193870","2020-10-21","18:00:00",""
"7055958","15.2182","0.0003","14.6493","0.0003","23.9361","0.0005","90","","90","","90","","5336.22","0.19","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H39 Co2 N7 O16 -","- C14 H39 Co2 N7 O16 -","- C112 H312 Co16 N56 O128 -","8","1","","Sama, Farasha; Ansari, Istikhar A.; Raizada, Mukul; Ahmad, Musheer; Nagaraja, C. M.; Shahid, M.; Kumar, Abhinav; Khan, Kulsum; Siddiqi, Zafar A.","Design, structures and study of non-covalent interactions of mono-, di-, and tetranuclear complexes of a bifurcated quadridentate tripod ligand, N-(aminopropyl)-diethanolamine","New J. Chem.","2017","41","5","1959","","10.1039/C6NJ02562E","","","0.71073","MoKα","","0.0496","0.0348","","","0.0829","0.0916","","","","","","1.046","","","","has coordinates","193869","2020-10-21","18:00:00",""
"7055960","7.0886","0.0003","11.8816","0.0006","32.9373","0.0017","90","","90","","90","","2774.1","0.2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Ag0.87 N2 Na0.13 O6 S -","- C12 H13 Ag0.867 N2 Na0.133 O6 S -","- C96 H104 Ag6.936 N16 Na1.064 O48 S8 -","8","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.0582","0.0319","","","0.0528","0.0599","","","","","","1.02","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055967","7.1227","0.0003","11.9399","0.0002","32.5608","0.0009","90","","90","","90","","2769.11","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N2 Na O6 S -","- C12 H13 N2 Na O6 S -","- C96 H104 N16 Na8 O48 S8 -","8","1","","Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden","Ag(i) bipyridyl coordination polymers containing functional anions","New J. Chem.","2017","41","4","1574","","10.1039/C6NJ03555H","","","0.71073","MoKα","","0.1145","0.0473","","","0.0911","0.1052","","","","","","0.991","","","","has coordinates","193879","2020-10-21","18:00:00",""
"7055997","21.6467","0.0009","13.105","0.0007","32.3338","0.0009","90","","90","","90","","9172.5","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cl In N2 O2 -","- C48 H70 Cl In N2 O2 -","- C384 H560 Cl8 In8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0346","0.0311","","","0.0774","0.0793","","","","","","1.045","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7056032","19.823","0.003","15.375","0.002","22.92","0.003","90","","90","","90","","6985.5","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl N O Pd Se -","- C16 H12 Cl N O Pd Se -","- C256 H192 Cl16 N16 O16 Pd16 Se16 -","16","2","","Kumar, Satyendra; Saleem, Fariha; Mishra, Manish Kumar; Singh, Ajai K.","Oxine based unsymmetrical (O−, N, S/Se) pincer ligands and their palladium(ii) complexes: synthesis, structural aspects and applications as a catalyst in amine and copper-free Sonogashira coupling","New J. Chem.","2017","41","7","2745","","10.1039/C7NJ00067G","","","0.71073","MoKα","","0.0543","0.0407","","","0.1049","0.1109","","","","","","1.033","","","","has coordinates","195161","2020-10-21","18:00:00",""
"7056065","7.34","0.0007","18.9644","0.0018","23.232","0.002","90","","90","","90","","3233.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-chlorophenyl)-2-(5-(4-chlorophenyl)-1H-pyrazol-1-yl) thiazole","","- C18 H11 Cl2 N3 S -","- C18 H11 Cl2 N3 S -","- C144 H88 Cl16 N24 S8 -","8","1","","Meshram, Harshadas Mitaram; Sridevi, Bhima; Tangella, Yellaiah; Korrapati, Suresh Babu; Nanubolu, Jagadeesh Babu; Routhu, Sunitha Rani; C., Ganesh Kumar; Kamal, Ahmed","Sulfamic Acid Catalyzed One-Pot, Three-Component Green Approach: Synthesis and Cytotoxic Evaluation of Pyrazolyl-Thiazole Congeners","New J. Chem.","2017","","","","","10.1039/C7NJ00042A","","","0.71073","MoKα","","0.0606","0.0591","","","0.1245","0.1253","","","","","","1.337","","","","has coordinates","194317","2020-10-21","18:00:00",""
"7056092","19.1011","0.0005","9.0666","0.00019","32.4789","0.0008","90","","90","","90","","5624.8","0.2","175.6","0.8","175.6","0.8","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 N4 O18 Pb4 -","- C20 H26 N4 O18 Pb4 -","- C160 H208 N32 O144 Pb32 -","8","1","","Dai, Jun-Wei; zheng, jianmei; Li, Haiyan; Zhou, Jin-Mei; Dong, Xin; Zhou, Zhao-Hui","Halide assisted formations of polymeric ethylenediaminetetraacetato lead(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ00611J","","","0.71073","MoKα","","0.0675","0.0423","","","0.0675","0.0736","","","","","","1.066","","","","has coordinates,has disorder","195256","2020-10-21","18:00:00",""
"7056160","13.8611","0.0007","13.6266","0.0007","14.124","0.0006","90","","90","","90","","2667.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl9.6 Mo2 N2 O0.4 -","- C12 H32 Cl9.6 Mo2 N2 O0.4 -","- C48 H128 Cl38.4 Mo8 N8 O1.6 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Schoch, Silvia; Zacchini, Stefano","Unusual activation pathways of amines in the reactions with molybdenum pentachloride","New J. Chem.","2017","","","","","10.1039/C6NJ03992H","","","0.71073","MoKα","","0.0813","0.0803","","","0.1909","0.1913","","","","","","1.212","","","","has coordinates,has disorder","196571","2020-10-21","18:00:00",""
"7056213","18.7577","0.0005","18.8838","0.0006","16.1938","0.0004","90","","90","","90","","5736.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Fe N6 O2 -","- C32 H31 Fe N6 O2 -","- C256 H248 Fe8 N48 O16 -","8","1","","Pogány, Lukáš; Moncol, Jan; Pavlik, Jan; Salitros, Ivan","Series of High Spin Mononuclear Iron(III) Complexes with Schiff Base ligands derived from 2-hydroxybenzophenones","New J. Chem.","2017","","","","","10.1039/C7NJ00617A","","","1.54186","CuKα","","0.0468","0.0307","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","196896","2020-10-21","18:00:00",""
"7056237","9.123","0.0009","16.1575","0.0015","21.934","0.002","90","","90","","90","","3233.2","0.5","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Br2 Cl4 Cu3 N4 O4 -","- C26 H32 Br2 Cl4 Cu3 N4 O4 -","- C104 H128 Br8 Cl16 Cu12 N16 O16 -","4","0.5","","Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha","Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation","New J. Chem.","2017","","","","","10.1039/C7NJ00846E","","","0.71073","MoKα","","0.0347","0.0265","","","0.0658","0.0706","","","","","","1.04","","","","has coordinates","196995","2020-10-21","18:00:00",""
"7056254","28.9007","0.0011","15.0348","0.0004","9.1482","0.0002","90","","90","","90","","3975","0.2","298","2","298","","100","","100","","","","from LASSBio","5","P b c a","-P 2ac 2ab","61","LASSBio-1774","(E)-N'-(thiophen-2-ylmethylene)cyclohexanecarbohydrazide","","- C18 H22 N2 O7 S -","- C18 H22 N2 O7 S -","- C144 H176 N16 O56 S8 -","8","1","","Ibiapino, Amanda Laura; de Figueiredo, Laysa Pires; Lima, Lídia Moreira; Barreiro, Eliezer J.; Punzo, Francesco; Ferreira, Fabio Furlan","Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents","New J. Chem.","2017","","","","","10.1039/C7NJ00074J","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01126","0.941","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7056262","12.259","0.004","8.409","0.003","32.758","0.009","90","","90","","90","","3376.9","1.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N4 O4 -","- C15 H20 N4 O4 -","- C120 H160 N32 O32 -","8","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0989","0.0658","","","0.191","0.2112","","","","","","1.066","","","","has coordinates,has disorder","197061","2020-10-21","18:00:00",""
"7056304","20.2718","0.0014","14.4091","0.001","24.8638","0.0017","90","","90","","90","","7262.7","0.9","93","2","93","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C66 H74 Cl4 F12 Mn4 N8 O12 P2 -","- C66 H74 Cl4 F12 Mn4 N8 O12 P2 -","- C264 H296 Cl16 F48 Mn16 N32 O48 P8 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71073","MoKα","","0.1098","0.0577","","","0.1252","0.1513","","","","","","1.032","","","","has coordinates,has disorder","197762","2020-10-21","18:00:00",""
"7056319","10.8407","0.0001","15.3854","0.0002","24.009","0.0016","90","","90","","90","","4004.4","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O4 -","- C22 H27 N3 O4 -","- C176 H216 N24 O32 -","8","1","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","1.54187","CuKα","","0.0771","0.0673","","","0.1974","0.2094","","","","","","1.117","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056324","7.007","0.0004","17.952","0.002","26.4727","0.0017","90","","90","","90","","3330","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C152 H152 N24 O8 -","8","1","","Kumar, Akshay; Trivedi, Manoj; Yadav, Bhaskaran; Sharma, Raj Kishore; Singh, Gurmeet","Synthetic, Spectral and Structural Studies of a Schiff Base and its Anticorrosive Activity on Mild Steel in H2SO4","New J. Chem.","2017","","","","","10.1039/C7NJ00896A","","","0.71073","MoKα","","0.12","0.0671","","","0.1339","0.1694","","","","","","0.7","","","","has coordinates","197764","2020-10-21","18:00:00",""
"7056351","11.469","0.004","9.506","0.001","19.52","0.006","90","","90","","90","","2128.2","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C80 H112 N32 -","8","1","","Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.","Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion","New J. Chem.","2017","","","","","10.1039/C7NJ01112A","","","0.71073","MoKα","","0.1066","0.0708","","","0.2051","0.233","","","","","","1.044","","","","has coordinates","198067","2020-10-21","18:00:00",""
"7056395","11.4857","0.0007","6.9956","0.0004","33.95","0.003","90","","90","","90","","2727.9","0.3","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C112 H112 N32 O24 -","8","1","","Chen, Mimi; Zhou, Zhengwei; Suo, Yaxiong; Li, Mengyao; Yao, Jianhua; Peng, Ling; Xia, Yi","Acyclonucleosides Bearing Coplanar Arylethynyltriazole Nucleobases: Synthesis, Structural Analysis and Biological Evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ01406F","","","0.71073","MoKα","","0.0596","0.0487","","","0.1321","0.1368","","","","","","1.165","","","","has coordinates","198449","2020-10-21","18:00:00",""
"7056397","15.8284","0.0004","12.343","0.0003","16.6575","0.0004","90","","90","","90","","3254.37","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(L)Br]2 (complex 4)","","","- C28 H44 Br2 Cu2 N2 O6 -","- C28 H44 Br2 Cu2 N2 O6 -","- C112 H176 Br8 Cu8 N8 O24 -","4","0.5","","Sanyal, Ria; Ketkov, Sergey Yu.; Purkait, Suranjana; Mautner, Franz Andreas; Zhigulin, Grigory; Das, Debasis","Nuclearity dependent solvent contribution on the catechol oxidase activity of novel Copper(II) complexes derived from Mannich-base ligand platforms: synthesis, crystal structure and mechanism","New J. Chem.","2017","","","","","10.1039/C7NJ00425G","","","0.71073","MoKα","","0.0811","0.0437","","","0.0782","0.0931","","","","","","1.038","","","","has coordinates","198450","2020-10-21","18:00:00",""
"7056421","7.5613","0.0003","17.6501","0.0007","18.5075","0.0007","90","","90","","90","","2469.97","0.17","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 Cu N3 S -","- C9 H13 Cl2 Cu N3 S -","- C72 H104 Cl16 Cu8 N24 S8 -","8","1","","Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.","Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01581J","","x-ray","0.71073","MoKα","","0.0227","0.0204","","","0.0535","0.0545","","","","","","1.169","","","","has coordinates","198688","2020-10-21","18:00:00",""
"7056435","8.814","0.003","9.208","0.003","14.261","0.004","90","","90","","90","","1157.4","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H2 Cl2 N4 -","- C3 Cl2 N4 -","- C24 Cl16 N32 -","8","1","","Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping","Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives","New J. Chem.","2017","","","","","10.1039/C7NJ00876G","","","0.71073","MoKα","","0.0396","0.037","","","0.0997","0.1023","","","","","","1.002","","","","has coordinates","198714","2020-10-21","18:00:00",""
"7056456","13.178","0.007","9.598","0.005","28.58","0.016","90","","90","","90","","3615","3","","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 F2 N3 O2 -","- C23 H15 F2 N3 O2 -","- C184 H120 F16 N24 O16 -","8","1","","Bharadwaj, S. Shashidhar; Poojary, Boja; Madan Kumar, S.; Byrappa, K.; Nagananda, Govinahalli Shivashankara; Chaitanya, Amajala Krishna; Zaveri, Kunal; Yarla, Nagendra Sastry; Shiralgi, Yallappa; Kudva, Avinash K.; Dhananjaya, B. L.","Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2,5-(disubstituted-[1,3,4])-oxadiazoles","New J. Chem.","2017","","","","","10.1039/C6NJ03913H","","","0.71075","MoKα","","0.1263","0.0844","","","0.1225","0.1441","","","","","","1.143","","","","has coordinates","198911","2020-10-21","18:00:00",""
"7056468","10.088","0.003","11.208","0.003","34.421","0.009","90","","90","","90","","3891.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Mn N5 O2 -","- C24 H18 Mn N5 O2 -","- C192 H144 Mn8 N40 O16 -","8","1","","Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader","Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes","New J. Chem.","2017","","","","","10.1039/C7NJ01562C","","","0.71073","MoKα","","0.1076","0.0597","","","0.114","0.1319","","","","","","1.027","","","","has coordinates","199381","2020-10-21","18:00:00",""
"7056500","10.8289","0.0003","12.9518","0.0004","20.3412","0.0006","90","","90","","90","","2852.93","0.15","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-tert-Butyl 2-methyl 7-oxoazepane-1,2-dicarboxylate","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C104 H168 N8 O40 -","8","1","","Weck, Christian; Obst, Franziska; Nauha, Elisa; Schofield, Christopher J.; Gruber, Tobias","Synthesis of a bicyclic oxo-γ-lactam from a simple caprolactam derivative","New J. Chem.","2017","","","","","10.1039/C7NJ02348K","","","1.54178","CuKα","","0.0395","0.0369","","","0.0956","0.0979","","","","","","1.046","","","","has coordinates","199550","2020-10-21","18:00:00",""
"7056518","17.786","0.008","10.318","0.005","19.201","0.009","90","","90","","90","","3524","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Mn N2 O4 -","- C18 H18 Cl Mn N2 O4 -","- C144 H144 Cl8 Mn8 N16 O32 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","","","","","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.0984","0.0531","","","0.1091","0.1328","","","","","","1.066","","","","has coordinates","199809","2020-10-21","18:00:00",""
"7056519","18.1502","0.0008","10.0629","0.0004","20.4381","0.0009","90","","90","","90","","3732.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Mn N5 O4 -","- C18 H18 Mn N5 O4 -","- C144 H144 Mn8 N40 O32 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","","","","","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.1282","0.0634","","","0.1538","0.18","","","","","","1.032","","","","has coordinates","199809","2020-10-21","18:00:00",""
"7056520","11.997","0.0003","13.159","0.0004","22.969","0.0007","90","","90","","90","","3626.08","0.18","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl Mn N2 O5 -","- C18 H20 Cl Mn N2 O5 -","- C144 H160 Cl8 Mn8 N16 O40 -","8","1","","Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali","Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries","New J. Chem.","2017","","","","","10.1039/C7NJ02919E","","","0.71073","MoKα","","0.0526","0.0388","","","0.1035","0.1126","","","","","","1.054","","","","has coordinates","199809","2020-10-21","18:00:00",""
"7056545","11.7935","0.001","12.3784","0.001","24.81","0.002","90","","90","","90","","3621.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6a-Hydroxy-1-methyl-4-phenyl-2,3,6,6a-tetrahydro-1H,4H,11H-3a,6-methanoindeno [2',1':4,5]thiopyrano[4,3-b]pyrrole-11,12-dione","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C176 H152 N8 O24 S8 -","8","1","","Seeni, Maharani; Vivek Kumar, Sundaravel; Almansour, Abdulrahman Ibrahim; Kumar, Raju; K, Anitha; Raju, Ranjith Kumar","Synthesis of penta- and tetra-cyclic cage-like compounds and dispiro heterocycles through microwave-assisted solvent-free multi-component domino reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01673E","","","0.71073","MoKα","","0.0333","0.0315","","","0.0897","0.0917","","","","","","1.055","","","","has coordinates","199892","2020-10-21","18:00:00",""
"7056578","8.1295","0.0019","15.338","0.004","18.901","0.004","90","","90","","90","","2356.8","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay","Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts","New J. Chem.","2017","","","","","10.1039/C7NJ02116J","","","0.71073","MoKα","","0.0636","0.0453","","","0.1175","0.1299","","","","","","0.95","","","","has coordinates","200114","2020-10-21","18:00:00",""
"7056617","9.7915","0.0007","10.7841","0.0008","28.665","0.002","90","","90","","90","","3026.8","0.4","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-difluoro-4,6-bis(2-pyrimidyl)-1,3-dihydro-1,3,5,2-triazaborinine","","- C11 H10 B Cl2 F2 N7 -","- C11 H10 B Cl2 F2 N7 -","- C88 H80 B8 Cl16 F16 N56 -","8","1","","Yousaf, Muhammad; Yutronkie, Nathan J.; Castañeda, Raúl; Klein, Jacob A.; Brusso, Jaclyn","Boratriazines: inducing luminescence through boron incorporation into a terpy-type framework","New J. Chem.","2017","","","","","10.1039/C7NJ02462B","","","0.71073","MoKα","","0.1228","0.0692","","","0.1794","0.1955","","","","","","1.06","","","","has coordinates,has disorder","201337","2020-10-21","18:00:00",""
"7056799","10.0102","0.0003","9.8872","0.0003","38.8711","0.0014","90","","90","","90","","3847.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C152 H160 Co8 N16 O56 -","8","1","","Scaldini, Felipe Mageste; Ramalho Freitas, Maria Clara; De Souza Reis, Mario; Yoshida, Maria Irene; Krambrock, Klaus; Machado, Flávia Cavalieri","A Co(ii) 1D coordination polymer constructed from 1,3-bisbenzyl-2-oxoimidazoline-4,5-dicarboxylic acid: crystal structure and magnetic properties","New Journal of Chemistry","2018","42","2","1216","","10.1039/C7NJ04564F","","","0.71073","MoKα","","0.0685","0.0398","","","0.0845","0.0939","","","","","","1.037","","","","has coordinates","230301","2020-10-21","18:00:00",""
"7056828","16.5855","0.0007","15.671","0.0008","23.4002","0.0012","90","","90","","90","","6082","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Cl N3 O3 Rh -","- C32 H37 Cl N3 O3 Rh -","- C256 H296 Cl8 N24 O24 Rh8 -","8","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0437","0.0356","","","0.0732","0.0763","","","","","","1.111","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056937","15.9036","0.0004","11.4442","0.0003","17.4141","0.0005","90","","90","","90","","3169.44","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.","Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations","New Journal of Chemistry","2018","42","5","3683","","10.1039/C7NJ04347C","","","1.5418","CuKα","","0.026","0.0259","","0.0324","0.0324","0.0324","","","","","","0.9698","","","","has coordinates","230251","2020-10-21","18:00:00",""
"7056942","5.8627","0.0006","16.8493","0.0016","25.022","0.002","90","","90","","90","","2471.7","0.4","150","","150","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Fe N6 O2 -","- C12 H8 Fe N6 O2 -","- C96 H64 Fe8 N48 O16 -","8","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0564","0.0448","","","0.0925","0.0965","","","","","","1.171","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056946","14.193","0.007","11.681","0.004","21.035","0.01","90","","90","","90","","3487","3","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 Fe N O4 -","- C18 H25 Fe N O4 -","- C144 H200 Fe8 N8 O32 -","8","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0591","0.0493","","","0.1203","0.131","","","","","","1.072","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056949","26.2936","0.0003","24.352","0.0003","26.5498","0.0003","90","","90","","90","","16999.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25.33333 F4 N6 O4.66667 Zn -","- C26 H24 F4 N6 O4.66667 Zn -","- C624 H576 F96 N144 O112 Zn24 -","24","3","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0955","0.0486","","","0.1178","0.1409","","","","","","1.006","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7056995","15.3034","0.0003","17.1558","0.0003","17.7407","0.0003","90","","90","","90","","4657.68","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 P2 S2 -","- C20 H30 N4 P2 S2 -","- C160 H240 N32 P16 S16 -","8","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0306","0.0277","","","0.0729","0.0752","","","","","","1.08","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7057000","14.2556","0.0014","9.1252","0.0007","24.169","0.002","90","","90","","90","","3144","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(naphthalen-1-yl)benzenesulfonamidee","<i>N</i>-(naphthalen-1-yl)benzenesulfonamide","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Asiri, Abdullah M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Rahman, Mohammed M.","A Ce2+ sensor based on napthalen-1-yl-methylene-benzenesulfonohydrazide (NMBSH) molecules: ecological sample analysis","New Journal of Chemistry","2018","42","6","4465","","10.1039/C7NJ05109C","","","0.71073","MoKα","","0.1505","0.0661","","","0.1718","0.219","","","","","","1.035","","","","has coordinates","230315","2020-10-21","18:00:00",""
"7057292","8.7873","0.0001","9.6637","0.0001","36.9535","0.0005","90","","90","","90","","3138.01","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Kushwaha, Archana; Patil, Sagar K.; Das, Dipanwita","A pyrene-benzimidazole composed effective fluoride sensor: potential mimicking of a Boolean logic gate","New Journal of Chemistry","2018","42","11","9200","","10.1039/C8NJ01011K","","","1.54178","CuKα","","0.0555","0.041","","","0.0991","0.1081","","","","","","1.028","","","","has coordinates","230523","2020-10-21","18:00:00",""
"7057369","14.84001","0.0001","16.55137","0.00008","28.2482","0.0002","90","","90","","90","","6938.39","0.08","130","0.1","130","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 Br2 O P2 Pd -","- C39 H32 Br2 O P2 Pd -","- C312 H256 Br16 O8 P16 Pd8 -","8","1","","Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.","New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies","New Journal of Chemistry","2018","42","11","8968","","10.1039/C8NJ00797G","","x-ray","1.54184","CuKα","","0.0285","0.0269","","","0.0686","0.0698","","","","","","1.073","","","","has coordinates","230530","2020-10-21","18:00:00",""
"7057370","15.459","0.002","16.811","0.002","27.327","0.004","90","","90","","90","","7101.8","1.6","130.01","0.1","130.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Br2 O P2 Pd -","- C40 H34 Br2 O P2 Pd -","- C320 H272 Br16 O8 P16 Pd8 -","8","1","","Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.","New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies","New Journal of Chemistry","2018","42","11","8968","","10.1039/C8NJ00797G","","x-ray","1.54184","CuKα","","0.1547","0.118","","","0.2507","0.2757","","","","","","1.062","","","","has coordinates,has disorder","230530","2020-10-21","18:00:00",""
"7057371","14.89","0.003","16.582","0.003","28.103","0.006","90","","90","","90","","6939","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 Br2 O P2 Pt -","- C39 H32 Br2 O P2 Pt -","- C312 H256 Br16 O8 P16 Pt8 -","8","1","","Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.","New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies","New Journal of Chemistry","2018","42","11","8968","","10.1039/C8NJ00797G","","x-ray","0.7109","MoKα","","0.0649","0.0459","","","0.1176","0.1272","","","","","","1.108","","","","has coordinates","230530","2020-10-21","18:00:00",""
"7057374","18.6366","0.0009","18.7492","0.0008","19.4096","0.0008","90","","90","","90","","6782.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H36 F12 I12 P2 -","- C56 H36 F12 I12 P2 -","- C224 H144 F48 I48 P8 -","4","0.5","","Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T.","Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines","New Journal of Chemistry","2018","42","13","10518","","10.1039/C8NJ01373J","","","0.71073","MoKα","","0.0344","0.0231","","","0.0404","0.0436","","","","","","1.079","","","","has coordinates","230370","2020-10-21","18:00:00",""
"7057594","9.0805","0.0018","17.501","0.004","30.181","0.006","90","","90","","90","","4796.3","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cd I2 N4 O2 S2 -","- C16 H22 Cd I2 N4 O2 S2 -","- C128 H176 Cd8 I16 N32 O16 S16 -","8","1","","Notash, Behrouz; Rezaei Kheirkhah, Bahareh","The effect of solvent on one-dimensional cadmium coordination polymers","New Journal of Chemistry","2018","42","18","15014","","10.1039/C8NJ02110D","","","0.71073","MoKα","","0.0861","0.0358","","","0.073","0.0814","","","","","","0.814","","","","has coordinates","230490","2020-10-21","18:00:00",""
"7057623","16.6","0.002","15.531","0.002","19.029","0.003","90","","90","","90","","4906","1.2","298","","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Co F2 I N P2 -","- C23 H27 Co F2 I N P2 -","- C184 H216 Co8 F16 I8 N8 P16 -","8","1","","Yang, Fei; Wang, Yangyang; Lu, Faguan; Xie, Shangqing; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Preparation of hydrido [CNC]-pincer cobalt complexes via selective C‒H/C‒F bond activation and their catalytic performances","New Journal of Chemistry","2018","42","19","15578","","10.1039/C8NJ02979B","","","0.71073","MoKα","","0.0961","0.0497","","","0.1171","0.1345","","","","","","1.047","","","","has coordinates","230326","2020-10-21","18:00:00",""
"7057625","9.211","0.002","15.947","0.004","27.262","0.007","90","","90","","90","","4004.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H14 F4 N2 O4 Pb -","- C21 H14 F4 N2 O4 Pb -","- C168 H112 F32 N16 O32 Pb8 -","8","1","","Ma, Jing-xin; Yang, Zhihua; Zhou, Tong; Guo, Qi; Yang, Jinhui; Yang, Tianlin; Yang, Qingfeng","Construction of structurally diverse luminescent lead(ii) fluorinated coordination polymers based on auxiliary ligands","New Journal of Chemistry","2018","42","18","15413","","10.1039/C8NJ02846J","","","0.71073","MoKα","","0.0478","0.0369","","","0.0807","0.0865","","","","","","1.065","","","","has coordinates,has disorder","230485","2020-10-21","18:00:00",""
"7057640","9.935","0.006","20.797","0.012","17.5203","0.001","90","","90","","90","","3620","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 I N S -","- C22 H14 I N S -","- C176 H112 I8 N8 S8 -","8","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Kubota, Yasuhiro; Koketsu, Mamoru","Synthesis of thieno[2,3-c]acridine and furo[2,3-c]acridine derivatives via an iodocyclization reaction and their fluorescence properties and DFT mechanistic studies","New Journal of Chemistry","2018","42","18","15315","","10.1039/C8NJ03511C","","","0.71075","MoKα","","0.0744","0.0497","","","0.1489","0.1688","","","","","","1.045","","","","has coordinates","230482","2020-10-21","18:00:00",""
"7057760","10.576","0.0004","14.2795","0.0006","24.2119","0.001","90","","90","","90","","3656.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl2 N2 O3 Pt -","- C18 H20 Cl2 N2 O3 Pt -","- C144 H160 Cl16 N16 O24 Pt8 -","8","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Dyson, Paul J.; Zacchini, Stefano; Schoch, Silvia; Pampaloni, Guido; Marchetti, Fabio","α-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity","New Journal of Chemistry","2018","42","21","17453","","10.1039/C8NJ04195D","","","0.71073","MoKα","","0.0811","0.0653","","","0.1052","0.1096","","","","","","1.221","","","","has coordinates,has disorder","230506","2020-10-21","18:00:00",""
"7057792","7.0179","0.0007","11.9206","0.0011","28.844","0.003","90","","90","","90","","2413","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-benzyl-2,2-difluoro-2H-2l4,3l4-benzo[e][1,3,2]oxazaborinine","","- C14 H12 B F2 N O -","- C14 H12 B F2 N O -","- C112 H96 B8 F16 N8 O8 -","8","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71073","MoKα","","0.0725","0.0388","","","0.0705","0.0791","","","","","","0.889","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057822","8.9151","0.0002","13.3283","0.0003","33.8692","0.0007","90","","90","","90","","4024.44","0.15","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H13 F6 N -","- C27 H13 F6 N -","- C216 H104 F48 N8 -","8","1","","Katla, Jagadish; Ojha, Abhijeet; Nair, Akshay J. M.; Rangan, Krishnan; Kanvah, Sriram","Photophysical studies of pyrenyl cyanostyrenes: effect of trifluoromethyl substitution on gelation","New Journal of Chemistry","2018","42","22","18297","","10.1039/C8NJ04146F","","x-ray","1.54184","CuKα","","0.0849","0.0776","","","0.2186","0.2251","","","","","","1.083","","","","has coordinates","230209","2020-10-21","18:00:00",""
"7057846","7.8759","0.0005","16.9413","0.0011","25.1308","0.0016","90","","90","","90","","3353.2","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Br0.268 Cl1.733 Cr N2 -","- C17 H19 Br0.267 Cl1.733 Cr N2 -","- C136 H152 Br2.136 Cl13.864 Cr8 N16 -","8","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0802","0.0607","","","0.1231","0.1322","","","","","","1.125","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057873","8.7552","0.0008","8.184","0.0006","22.4827","0.0017","90","","90","","90","","1610.9","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C32 H24 N40 O48 -","8","1","","Wang, Bohan; Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei","An unexpected method to synthesise 1,2,4-oxadiazolone derivatives: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","24","19671","","10.1039/C8NJ04428G","","","0.71073","MoKα","","0.0799","0.0433","","","0.0835","0.0974","","","","","","1.059","","","","has coordinates","230160","2020-10-21","18:00:00",""
"7057879","17.6428","0.0007","7.0164","0.0003","19.1027","0.0009","90","","90","","90","","2364.7","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'(1E)-1-(3,5-diacetyl-2,4-dihydroxy-6-oxocyclohexa-2,4-dien-1-yl) -N-methylethaniminium (2)'","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Kwocz, Agnieszka; Jan Panek, Jarosław; Jezierska, Aneta; Hetmańczyk, Łukasz; Pawlukojć, Andrzej; Kochel, Andrzej; Lipkowski, Paweł; Filarowski, Aleksander","A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory","New Journal of Chemistry","2018","42","24","19467","","10.1039/C8NJ04339F","","","0.71073","MoKα","","0.1082","0.0492","","","0.0983","0.1089","","","","","","0.9","","","","has coordinates","230169","2020-10-21","18:00:00",""
"7057921","17.5729","0.0013","9.1432","0.001","17.8218","0.0013","90","","90","","90","","2863.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H9 F I N O2 -","- C17 H9 F I N O2 -","- C136 H72 F8 I8 N8 O16 -","8","1","","Choudhary, Sachin; Singh, Anoop; Yadav, Jyothi; Mir, Nisar A.; Anthal, Sumati; Kant, Rajni; Kumar, Indresh","A simple route to tetracyclic oxazepine-fused pyrroles via metal-free [3+2] annulation between dibenzo[b,f][1,4]oxazepines and aqueous succinaldehyde","New Journal of Chemistry","2019","43","2","953","","10.1039/C8NJ04861D","","","0.71073","MoKα","","0.0635","0.0406","","","0.0914","0.1056","","","","","","1.124","","","","has coordinates","224808","2020-10-21","18:00:00",""
"7057948","17.109","0.013","26.729","0.009","29.365","0.013","90","","90","","90","","13429","13","296","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H108 Ag14 F24 N6 O22 S6 -","- C106 H108 Ag14 F24 N6 O22 S6 -","- C424 H432 Ag56 F96 N24 O88 S24 -","4","0.5","","Li, Yan-Ling; Xu, Qing-Qing; Li, Si; Huang, Ren-Wu; Liu, Xiao-Fei; Wei, Yong-Li; Zang, Shuang-Quan","Investigating the influence of a CrO42−/Cr2O72− template in the formation of a series of silver‒chalcogenide clusters","New Journal of Chemistry","2019","43","1","115","","10.1039/C8NJ04965C","","","0.71073","MoKα","","0.1028","0.0626","","","0.1533","0.1727","","","","","","1.066","","","","has coordinates","224747","2020-10-21","18:00:00",""
"7058049","14.0567","0.0006","16.0971","0.0007","18.9179","0.001","90","","90","","90","","4280.6","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H44 N8 Pd2 S2 -","- C46 H44 N8 Pd2 S2 -","- C184 H176 N32 Pd8 S8 -","4","0.5","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0554","0.0438","","","0.1129","0.1214","","","","","","1.184","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058051","11.3614","0.0003","13.7572","0.0003","41.7197","0.0013","90","","90","","90","","6520.8","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H40 N4 O3 P2 Pd S -","- C29 H40 N4 O3 P2 Pd S -","- C232 H320 N32 O24 P16 Pd8 S8 -","8","1","","Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan","Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands","New Journal of Chemistry","2019","43","5","2307","","10.1039/C8NJ04167A","","","0.71073","MoKα","","0.0569","0.049","","","0.1016","0.1048","","","","","","1.225","","","","has coordinates","224772","2020-10-21","18:00:00",""
"7058097","9.7216","0.0003","10.6601","0.0003","22.1772","0.0005","90","","90","","90","","2298.29","0.11","290","","290","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C80 H88 N24 O16 S8 -","8","1","","Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.","Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures","New Journal of Chemistry","2019","43","6","2740","","10.1039/C8NJ05748F","","","0.71073","MoKα","","0.0598","0.0434","","","0.1081","0.1168","","","","","","1.054","","","","has coordinates","224829","2020-10-21","18:00:00",""
"7058381","13.5131","0.0006","16.9916","0.0005","26.0514","0.001","90","","90","","90","","5981.6","0.4","172","","172","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","subt-BTP","","- C27 H41 N7 O -","- C27 H41 N7 O -","- C216 H328 N56 O8 -","8","1","","Xu, Lei; Zhang, Anyun; Pu, Ning; Lu, Yanchao; Yang, Hua; Liu, Ziyang; Ji, Yanqin","Unusual complexation behaviors of R-BTPs with water molecule and Pd(ii) caused by electronic modulation of substituents on BTP backbone: new insights into palladium separation under the framework of minor actinides’ partitioning","New Journal of Chemistry","2019","43","23","9052","","10.1039/C9NJ00343F","","","0.71073","MoKα","","0.0952","0.0699","","","0.1928","0.2166","","","","","","1.026","","","","has coordinates,has disorder","224926","2020-10-21","18:00:00",""
"7058384","11.7204","0.0005","17.1714","0.0008","28.6443","0.0014","90","","90","","90","","5764.8","0.5","296","2","296","2","","","","","","","synthetic","5","P b c a","-P 2ac 2ab","61","3, 3?-carbonylbis (7-diethylaminocoumarin)","3, 3?-carbonylbis (7-diethylaminocoumarin)","","- C28 H29 Cl3 N2 O5 -","- C28 H29 Cl3 N2 O5 -","- C224 H232 Cl24 N16 O40 -","8","1","","Ramamurthy, Kannan; Malar, E. J. Padma; Selvaraju, Chellappan","Hydrogen bonded dimers of ketocoumarin in the solid state and alcohol:water binary solvent: fluorescence spectroscopy, crystal structure and DFT investigation","New Journal of Chemistry","2019","43","23","9090","","10.1039/C9NJ01053J","","","0.71073","MoKα","","0.0596","0.0506","","","0.1383","0.1525","","","","","","1.08","","","","has coordinates,has disorder","224927","2020-10-21","18:00:00",""
"7058401","16.755","0.0015","20.4506","0.0019","23.043","0.002","90","","90","","90","","7895.7","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H70 F2 O8 Sn4 Te2 -","- C84 H70 F2 O8 Sn4 Te2 -","- C336 H280 F8 O32 Sn16 Te8 -","4","0.5","","Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin","Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters","New Journal of Chemistry","2019","43","24","9516","","10.1039/C9NJ00487D","","","0.71073","MoKα","","0.1058","0.0566","","","0.0974","0.1172","","","","","","1.086","","","","has coordinates,has disorder","224686","2020-10-21","18:00:00",""
"7058455","21.8459","0.0009","19.8487","0.0005","25.4804","0.0008","90","","90","","90","","11048.6","0.6","116.6","","116.6","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42.75 H58 Cu6 N8 O15.75 S3 -","- C42.75 H58 Cu6 N8 O15.75 S3 -","- C342 H464 Cu48 N64 O126 S24 -","8","1","","Sun, Zhi-Bing; Li, Yi-Lin; Zhang, Zhe-Hua; Li, Zi-Feng; Xiao, Bo; Li, Gang","A path to improve proton conductivity: from a 3D hydrogen-bonded organic framework to a 3D copper-organic framework","New Journal of Chemistry","2019","43","26","10637","","10.1039/C9NJ02025J","","","0.71073","MoKα","","0.0917","0.056","","","0.1364","0.1665","","","","","","1.092","","","","has coordinates,has disorder","224790","2020-10-21","18:00:00",""
"7058456","11.757","0.003","12.706","0.003","13.594","0.003","90","","90","","90","","2030.7","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N7 O8 -","- C5 H5 N7 O8 -","- C40 H40 N56 O64 -","8","1","","Yan, Chao; Cheng, Guangbin; Wang, Kangcai; Liu, Tianlin; Jin, Yunhe; Yang, Hongwei; Zhang, Qinghua","Exploring the reactive chemistry of FOX-7: synthesis of cyclic triazinane-based energetic materials featuring the FOX-7 backbone","New Journal of Chemistry","2019","43","26","10429","","10.1039/C9NJ01932D","","","0.71073","MoKα","","0.0818","0.0496","","","0.1081","0.1246","","","","","","1.04","","","","has coordinates","224788","2020-10-21","18:00:00",""
"7058569","11.3262","0.0005","10.608","0.0004","15.3741","0.0007","90","","90","","90","","1847.17","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H3 N5 O8 -","- C5 H3 N5 O8 -","- C40 H24 N40 O64 -","8","1","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0333","0.0308","","","0.0843","0.0862","","","","","","1.066","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058571","9.0328","0.0006","10.8978","0.0009","12.4228","0.001","90","","90","","90","","1222.87","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H3 N3 O4 -","- C4 H3 N3 O4 -","- C32 H24 N24 O32 -","8","1","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0533","0.0457","","","0.1429","0.1499","","","","","","1.024","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058593","10.63","0.002","9.95","0.002","40.958","0.009","90","","90","","90","","4332.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-bromophenethyl)-6,8-di-tert-butyl-3,4-dihydro-2H-benzo[e][1,3]oxazine","","- C24 H32 Br N O -","- C24 H32 Br N O -","- C192 H256 Br8 N8 O8 -","8","1","","Arendt-Pindel, Agata; Marszałek-Harych, Aleksandra; Gębarowska, Elżbieta; Gębarowski, Tomasz; Jędrzkiewicz, Dawid; Pląskowska, Elżbieta; Zalewski, Dariusz; Gulia, Nurbey; Szafert, Sławomir; Ejfler, Jolanta","Design and functionalization of bioactive benzoxazines. An unexpected ortho-substitution effect","New Journal of Chemistry","2019","43","30","12042","","10.1039/C8NJ06440G","","","0.71073","MoKα","","0.0796","0.0329","","","0.0648","0.0702","","","","","","0.837","","","","has coordinates","224899","2020-10-21","18:00:00",""
"7058666","22.3505","0.0012","34.2762","0.0018","45.692","0.003","90","","90","","90","","35004","3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C183 H161 Br6 Cl2 Cu6 N P12 S6 -","- C183 H161 Br6 Cl2 Cu6 N P12 S6 -","- C1464 H1288 Br48 Cl16 Cu48 N8 P96 S48 -","8","1","","Wei, Qiong; Chen, Hong-Ting; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Fa-Bao; Cong, Heng-Jiang; Wong, Wai-Yeung; Alamry, Khalid A.; Qin, Hai-Mei","Syntheses and photoluminescence of copper(i) halide complexes containing dimethylthiophene bidentate phosphine ligands","New Journal of Chemistry","2019","43","34","13408","","10.1039/C9NJ01417A","","","0.71073","MoKα","","0.1258","0.0663","","","0.1299","0.1573","","","","","","1.12","","","","has coordinates","224973","2020-10-21","18:00:00",""
"7058777","10.334","0.007","9.277","0.006","11.237","0.007","90","","90","","90","","1077.3","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H6 Cl F2 N -","- C3 H6 Cl F2 N -","- C24 H48 Cl8 F16 N8 -","8","1","","Chen, Jifeng; Yu, Yi; Zhang, Shujuan; Li, Yuchuan; Pang, Siping","Energetic materials with fluorinated four-membered heterocyclic ring: 3,3′-difluoroazetidine (DFAZ) salts","New Journal of Chemistry","2019","43","38","15115","","10.1039/C9NJ02569C","","","0.71073","MoKα","","0.0453","0.0325","","","0.0765","0.0826","","","","","","1.069","","","","has coordinates","224986","2020-10-21","18:00:00",""
"7058822","18.847","0.005","10.756","0.003","7.0728","0.0018","90","","90","","90","","1433.8","0.7","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,6-Dicyano[1,2,5]selenadiazolo[3,4-b]pyrazine","","- C6 N6 Se -","- C6 N6 Se -","- C48 N48 Se8 -","8","1","","Semenov, Nikolay A.; Radiush, Ekaterina A.; Chulanova, Elena A.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kadilenko, Evgeny M.; Bagryanskaya, Irina Yu.; Irtegova, Irina G.; Bogomyakov, Artem S.; Shundrin, Leonid A.; Gritsan, Nina P.; Zibarev, Andrey V.","Design, synthesis and isolation of a new 1,2,5-selenadiazolidyl and structural and magnetic characterization of its alkali-metal salts","New Journal of Chemistry","2019","43","41","16331","","10.1039/C9NJ04069B","","","0.71075","MoKα","","0.0265","0.021","","","0.0481","0.0489","","","","","","0.958","","","","has coordinates","224730","2020-10-21","18:00:00",""
"7058876","13.4953","0.0004","13.4233","0.0004","23.0059","0.0007","90","","90","","90","","4167.6","0.2","147","2","147","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cl-F6BsubPc","","","- C24 H6 B Cl F6 N6 -","- C24 H6 B Cl F6 N6 -","- C192 H48 B8 Cl8 F48 N48 -","8","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0417","0.0355","","","0.0931","0.0976","","","","","","1.034","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058877","13.4808","0.0007","13.4532","0.0008","23.019","0.0012","90","","90","","90","","4174.7","0.4","149","2","149","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cl-F6BsubPc","","","- C24 H6 B Cl F6 N6 -","- C24 H6 B Cl F6 N6 -","- C192 H48 B8 Cl8 F48 N48 -","8","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.034","0.0294","","","0.0736","0.0771","","","","","","1.04","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058878","13.4684","0.0005","13.4295","0.0005","23.0284","0.0008","90","","90","","90","","4165.2","0.3","147","2","147","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cl-F6BsubPc","","","- C24 H6 B Cl F6 N6 -","- C24 H6 B Cl F6 N6 -","- C192 H48 B8 Cl8 F48 N48 -","8","1","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0337","0.0312","","","0.0831","0.0856","","","","","","1.038","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7059045","14.158","0.003","14.747","0.003","23.048","0.007","90","","90","","90","","4812","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,3-disubstituted oxindole","","- C27 H22 Br N3 O4 S -","- C27 H22 Br N3 O4 S -","- C216 H176 Br8 N24 O32 S8 -","8","1","","Poomathi, Nataraj; Balaji, Ravichandran; Maheswari, Narayanan Uma; Mathivanan, Narayanasamy; Perumal, Paramasivan T.; Balasubramanian, Kalpattu K.; Barathi, Veluchamy Amutha; Ramakrishna, Seeram","Brønsted acid catalysed eco friendly synthesis of quaternary centred C-3 functionalized oxindole derivatives","New Journal of Chemistry","2018","42","18","14817","","10.1039/C8NJ02276C","","","0.71073","MoKα","","0.1138","0.0904","","","0.2816","0.3003","","","","","","1.123","","","","has coordinates","227889","2020-10-21","18:00:00",""
"7059056","50.9218","0.001","11.2705","0.0004","18.591","0.0005","90","","90","","90","","10669.6","0.5","120.05","0.1","120.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H82 N14 O32 P6 -","- C27 H82 N14 O32 P6 -","- C216 H656 N112 O256 P48 -","8","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.1644","0.1396","","","0.2466","0.2588","","","","","","1.197","","","","has coordinates","227935","2020-10-21","18:00:00",""
"7059071","15.913","0.0006","7.5636","0.0002","27.8228","0.0009","90","","90","","90","","3348.74","0.19","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C144 H152 N24 S8 -","8","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions","New Journal of Chemistry","2020","44","1","129","140","10.1039/C9NJ04440J","","","0.71073","MoKα","","0.1003","0.0567","","","0.1242","0.1514","","","","","","1.0531","","","","has coordinates","257689","2020-10-21","18:00:00",""
"7059120","7.261","0.0004","15.3853","0.0008","36.6862","0.0019","90","","90","","90","","4098.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N O5 -","- C21 H26 Cl N O5 -","- C168 H208 Cl8 N8 O40 -","8","1","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.089","0.0627","","","0.181","0.2256","","","","","","1.093","","","","has coordinates","235716","2020-10-21","18:00:00",""
"7059144","13.428","0.003","7.661","0.0015","23.338","0.005","90","","90","","90","","2400.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Jung, Mi-Hee","Broadband white light emission from one-dimensional zigzag edge-sharing perovskite","New Journal of Chemistry","2020","44","1","171","180","10.1039/C9NJ04758A","","","0.7","synchrotron","","0.0503","0.0495","","","0.1503","0.1508","","","","","","1.13","","","","has coordinates","257686","2020-10-21","18:00:00",""
"7059175","11.2036","0.0009","23.844","0.0019","37.483","0.003","90","","90","","90","","10013.2","1.4","273","2","273.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H45 Cl2 N3 O P2 Ru S -","- C59 H43 N3 O P2 Ru S -","- C472 H344 N24 O8 P16 Ru8 S8 -","8","1","","Dinda, Soumitra; Patra, Sarat Chandra; Roy, Subhadip; Halder, Supriyo; Weyhermüller, Thomas; Pramanik, Kausikisankar; Ganguly, Sanjib","Coligand driven diverse organometallation in benzothiazolyl-hydrazone derivatized pyrene: ortho vs. peri C‒H activation","New Journal of Chemistry","2020","44","4","1407","1417","10.1039/C9NJ05088D","","","0.71073","MoKα","","0.0938","0.0447","","","0.0978","0.1318","","","","","","1.117","","","","has coordinates,has disorder","257730","2020-10-21","18:00:00",""
"7059183","17.9272","0.0005","13.9769","0.0004","43.7984","0.0008","90","","90","","90","","10974.4","0.5","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H28 N2 O2 S -","- C35 H28 N2 O2 S -","- C560 H448 N32 O32 S16 -","16","2","","Andrés Castán, José María; Abad Galán, Laura; Li, Shi; Dalinot, Clément; Simón Marqués, Pablo; Allain, Magali; Risko, Chad; Monnereau, Cyrille; Maury, Olivier; Blanchard, Philippe; Cabanetos, Clément","Nitration of benzothioxanthene: towards a new class of dyes with versatile photophysical properties","New Journal of Chemistry","2020","44","3","900","905","10.1039/C9NJ05804D","","","1.54184","CuKα","","0.0945","0.0578","","","0.139","0.1627","","","","","","1.023","","","","has coordinates","257905","2020-10-21","18:00:00",""
"7059246","20.9681","0.0018","24.686","0.002","24.862","0.002","90","","90","","90","","12869","1.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C81 H54 Co N9 O3 -","- C81 H54 Co N9 O3 -","- C648 H432 Co8 N72 O24 -","8","1","","Dinda, Soumitra; Roy, Syamantak; Patra, Sarat Chandra; Bhandary, Subhrajyoti; Pramanik, Kausikisankar; Ganguly, Sanjib","Polyaromatic hydrocarbon derivatized azo-oximes of cobalt(iii) for the ligand-redox controlled electrocatalytic oxygen reduction reaction","New Journal of Chemistry","2020","44","9","3737","3747","10.1039/C9NJ05527D","","","0.71073","MoKα","","0.1753","0.0717","","","0.2001","0.2632","","","","","","0.961","","","","has coordinates","257824","2020-10-21","18:00:00",""
"7059268","14.255","0.003","12.232","0.002","25.245","0.006","90","","90","","90","","4401.9","1.6","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N5 Pt -","- C24 H23 N5 Pt -","- C192 H184 N40 Pt8 -","8","1","","Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.","Photoswitchable organoplatinum complexes with an azobenzene derivative of di-2-pyridylamine","New Journal of Chemistry","2020","44","7","2882","2889","10.1039/C9NJ05313A","","","0.71073","MoKα","","0.0502","0.0265","","","0.0495","0.0557","","","","","","1.015","","","","has coordinates","257817","2020-10-21","18:00:00",""
"7059273","8.1014","0.0016","22.215","0.004","28.766","0.006","90","","90","","90","","5177.1","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl Co N10 O6 -","- C20 H28 Cl Co N10 O6 -","- C160 H224 Cl8 Co8 N80 O48 -","8","1","","Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.","Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions","New Journal of Chemistry","2020","44","5","2146","2154","10.1039/C9NJ05200C","","","0.8042","synchrotron","","0.0662","0.0578","","","0.1299","0.1346","","","","","","1.142","","","","has coordinates","257711","2020-10-21","18:00:00",""
"7059365","14.3427","0.0006","14.0781","0.0005","21.6645","0.0008","90","","90","","90","","4374.5","0.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Br2 N4 Se2 Zn -","- C14 H24 Br2 N4 Se2 Zn -","- C112 H192 Br16 N32 Se16 Zn8 -","8","1","","Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan","Homoleptic and heteroleptic Zn(ii) selone catalysts for thioetherification of aryl halides without scrubbing oxygen","New Journal of Chemistry","2020","44","9","3574","3583","10.1039/C9NJ05818D","","x-ray","1.54184","CuKα","","0.1694","0.1307","","","0.3611","0.4641","","","","","","1.6618","","","","has coordinates","257822","2020-10-21","18:00:00",""
"7059418","7.8552","0.0006","13.2661","0.0011","21.1966","0.0017","90","","90","","90","","2208.9","0.3","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","naphthoquinones","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh","Synthesis and biological activity of imidazole based 1,4-naphthoquinones","New Journal of Chemistry","2020","44","17","6889","6901","10.1039/C9NJ04339J","","","0.71073","MoKα","","0.0604","0.0481","","","0.0981","0.1026","","","","","","1.161","","","","has coordinates","257739","2020-10-21","18:00:00",""
"7059420","8.355","0.0017","19.633","0.0039","30.829","0.0062","90","","90","","90","","5057","1.8","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl3 Cu N3 Na3 O17 -","- C11 H25 Cl3 Cu N3 Na3 O17 -","- C88 H200 Cl24 Cu8 N24 Na24 O136 -","8","1","","Ramadan, Abd El-Motaleb M.; Shaban, Shaban Y.; Ibrahim, Mohamed M.; Abdel-Rahman, Adel A.-H.; Sallam, Shehab A.; Al-Harbi, Sami A.; Omar, Walid","Synthesis and spectroscopic characterization of ternary copper(ii) complexes containing nitrogen and oxygen donors as functional mimics of catechol oxidase and phenoxazinone synthase","New Journal of Chemistry","2020","44","16","6331","6345","10.1039/C9NJ06131B","","","0.71073","MoKα","","0.0678","0.0384","","","0.0904","0.1073","","","","","","0.993","","","","has coordinates","257776","2020-10-21","18:00:00",""
"7059430","13.9157","0.0011","8.6591","0.0007","18.9441","0.0017","90","","90","","90","","2282.7","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N8 O6 -","- C8 H6 N8 O6 -","- C64 H48 N64 O48 -","8","1","","Yan, Tingou; Cheng, Guangbin; Yang, Hongwei","1,3,4-Oxadiazole based thermostable energetic materials: synthesis and structure‒property relationship","New Journal of Chemistry","2020","44","16","6643","6651","10.1039/D0NJ00518E","","","0.71073","MoKα","","0.092","0.0488","","","0.1052","0.122","","","","","","1.066","","","","has coordinates","257783","2020-10-21","18:00:00",""
"7059529","22.002","0.005","10.401","0.003","22.111","0.005","90","","90","","90","","5060","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N6 O2 Pt S4 -","- C22 H20 N6 O2 Pt S4 -","- C176 H160 N48 O16 Pt8 S32 -","8","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","0.71073","MoKα","","0.0785","0.0402","","","0.0799","0.0915","","","","","","1.005","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059647","20.5448","0.0002","20.51697","0.00019","23.3482","0.0002","90","","90","","90","","9841.66","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Dy F3 N6 O31 -","- C33 H56 Dy F3 N6 O31 -","- C264 H448 Dy8 F24 N48 O248 -","8","1","","Shi, Zhi-Qiang; Ji, Ning-Ning; Chen, Wan-Yao; Li, Gang","Proton conduction in two hydrogen-bonded supramolecular lanthanide complexes","New Journal of Chemistry","2020","44","25","10562","10568","10.1039/D0NJ02085K","","x-ray","1.54184","CuKα","","0.0539","0.0443","","","0.1174","0.1253","","","","","","1.056","","","","has coordinates,has disorder","257797","2020-10-21","18:00:00",""
"7059743","12.362","0.0007","9.1718","0.0005","24.3156","0.0013","90","","90","","90","","2756.9","0.3","168","2","168","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","chloro-(2-((1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylene)hydrazine-1-carbothioamide)-copper(II)","","- C12 H14 Cl Cu N3 O S -","- C12 H14 Cl Cu N3 O S -","- C96 H112 Cl8 Cu8 N24 O8 S8 -","8","1","","Petrasheuskaya, Tatsiana V.; Kiss, Márton A.; Dömötör, Orsolya; Holczbauer, Tamás; May, Nóra V.; Spengler, Gabriella; Kincses, Annamária; Čipak Gašparović, Ana; Frank, Éva; Enyedy, Éva A.","Salicylaldehyde thiosemicarbazone copper complexes: impact of hybridization with estrone on cytotoxicity, solution stability and redox activity","New Journal of Chemistry","2020","44","28","12154","12168","10.1039/D0NJ01070G","","","1.54187","CuKα","","0.1704","0.1326","","","0.2597","0.2774","","","","","","1.26","","","","has coordinates","257645","2020-10-21","18:00:00",""
"7059760","35.728","0.002","20.5718","0.0011","20.8517","0.0013","90","","90","","90","","15325.8","1.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Er F18 N4 O6 -","- C29 H15 Er F18 N4 O6 -","- C464 H240 Er16 F288 N64 O96 -","16","2","","Ahmed, Zubair; Mahiya, Kuldeep; Iftikhar, Khalid","Structures and pure near-infrared photophysics of erbium and ytterbium(iii) complexes incorporating fluorinated β-diketone and neutral unidentate ligands","New Journal of Chemistry","2020","44","30","13172","13181","10.1039/D0NJ02059A","","","0.71073","MoKα","","0.0895","0.0432","","","0.091","0.1147","","","","","","1.055","","","","has coordinates,has disorder","257829","2020-10-21","18:00:00",""
"7059830","12.4732","0.0005","17.7256","0.0007","23.1634","0.001","90","","90","","90","","5121.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cd4 N14 O16 -","- C42 H54 Cd4 N14 O16 -","- C168 H216 Cd16 N56 O64 -","4","0.5","","Ghosh, Tanmoy Kumar; Jana, Sumanta; Jana, Subrata; Ghosh, Ashutosh","Tetra- and poly-nuclear Cd(ii) complexes of an N3O4 Schiff base ligand: crystal structures, electrical conductivity and photoswitching properties","New Journal of Chemistry","2020","44","34","14733","14743","10.1039/D0NJ03325A","","","0.71073","MoKα","","0.0355","0.0293","","","0.0726","0.0765","","","","","","1.289","","","","has coordinates","257877","2020-10-21","18:00:00",""
"7059866","10.8381","0.0001","25.8186","0.0002","41.5657","0.0003","90","","90","","90","","11631.1","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H66 B Cu N2 O2 -","- C74 H66 B Cu N2 O2 -","- C592 H528 B8 Cu8 N16 O16 -","8","1","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0458","0.0423","","","0.1117","0.1151","","","","","","1.03","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059878","9.3194","0.0002","17.5662","0.0004","39.2393","0.0013","90","","90","","90","","6423.7","0.3","101.6","0.4","101.6","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 O P2 Ru -","- C40 H36 O P2 Ru -","- C320 H288 O8 P16 Ru8 -","8","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","1.54184","CuKα","","0.0872","0.0447","","","0.0775","0.0914","","","","","","1.059","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059879","9.4107","0.0001","17.3043","0.0003","39.0246","0.0006","90","","90","","90","","6354.98","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Fe O P2 -","- C40 H36 Fe O P2 -","- C320 H288 Fe8 O8 P16 -","8","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.0809","0.0551","","","0.1276","0.1436","","","","","","1.002","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059957","9.836","0.0012","8.386","0.001","28.171","0.003","90","","90","","90","","2323.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Fe N O -","- C14 H15 Fe N O -","- C112 H120 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0409","0.0352","","","0.0832","0.0858","","","","","","1.162","","","","has coordinates","258891","2020-11-06","12:41:59",""
"7059960","10.025","0.0013","8.8225","0.001","27.727","0.003","90","","90","","90","","2452.3","0.5","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Fe N O -","- C15 H17 Fe N O -","- C120 H136 Fe8 N8 O8 -","8","1","","Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence","Iodoferrocene as a partner in N-arylation of amides","New Journal of Chemistry","2020","44","37","15928","15941","10.1039/D0NJ03470C","","x-ray","0.71073","MoKα","","0.0391","0.0305","","","0.0724","0.0766","","","","","","1.035","","","","has coordinates","258891","2020-11-06","12:42:08",""
"7059985","20.7755","0.0003","8.7032","0.0001","22.9649","0.0004","90","","90","","90","","4152.36","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl N3 O2 -","- C8 H14 Cl N3 O2 -","- C128 H224 Cl16 N48 O32 -","16","2","","Karavaizoglu, Ufuk Nusret; Salamci, Emine","An efficient synthesis of chloro-aminocyclooctanediol and aminocyclooctanetriol: an unexpected acetolysis product","New Journal of Chemistry","2020","44","41","17976","17983","10.1039/D0NJ02697B","","","0.71073","MoKα","","0.0525","0.0434","","","0.1065","0.1143","","","","","","1.051","","","","has coordinates","258895","2020-11-06","12:42:45",""
"7059988","13.68995","0.00014","13.39392","0.00017","31.9706","0.0004","90","","90","","90","","5862.2","0.12","291.49","0.1","291.49","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 N O6 -","- C33 H33 N O6 -","- C264 H264 N8 O48 -","8","1","","Zhang, Wei-jing; Lin, Xin-cen; Li, Feng; Huang, Zhen-jie; Gong, Cheng-bin; Tang, Qian","Multicolored electrochromic and electrofluorochromic materials containing triphenylamine and benzoates","New Journal of Chemistry","2020","44","38","16412","16420","10.1039/D0NJ03666H","","x-ray","1.54184","CuKα","","0.0559","0.0489","","","0.123","0.1299","","","","","","1.042","","","","has coordinates","258939","2020-11-06","12:51:44",""
"7059991","19.775","0.0006","17.4755","0.0006","22.2462","0.0007","90","","90","","90","","7687.8","0.4","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H28 Cl Ir N8 O4 S -","- C42 H28 Cl Ir N8 O4 S -","- C336 H224 Cl8 Ir8 N64 O32 S8 -","8","1","","Bhat, Satish S.; S., Naveen; Revankar, Vidyanand K.; Lokanath, N. K.; Pinjari, Rahul V.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing [1,2,5]-thiadiazolo-[3,4-f]-[1,10]-phenanthroline","New Journal of Chemistry","2020","44","40","17442","17452","10.1039/D0NJ03421E","","","1.54178","CuKα","","0.0845","0.0775","","","0.2033","0.2148","","","","","","1.067","","","","has coordinates","258918","2020-11-06","12:47:31",""
"7060039","16.07395","0.00018","16.71663","0.00017","20.7947","0.0002","90","","90","","90","","5587.58","0.1","290","","290","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28.571 H27.429 Cl1.143 N10.286 O8 Ru1.143 -","- C28.5714 H27.4286 Cl1.14286 N10.2857 O8 Ru1.14286 -","- C200 H192 Cl8 N72 O56 Ru8 -","7","0.875","","Giri, Bishnubasu; Kumbhakar, Sadananda; Selvan K, Kalai; Muley, Arabinda; Maji, Somnath","Ruthenium nitrosyl complexes with the molecular framework [RuII(dmdptz)(bpy)(NO)]n+ (dmdptz: N,N-dimethyl-4,6-di(pyridin-2-yl)-1,3,5-triazin-2-amine and bpy: 2,2′-bipyridine). Electronic structure, reactivity aspects, photorelease, and scavenging of NO","New Journal of Chemistry","2020","44","43","18732","18744","10.1039/D0NJ03923C","","x-ray","1.54184","CuKα","","0.0413","0.038","","","0.1037","0.1078","","","","","","1.049","","","","has coordinates","259614","2020-12-06","14:32:06",""
"7060063","17.068","0.003","17.764","0.004","21.772","0.004","90","","90","","90","","6601","2","153","2","153.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H34 N20 O21 Sr2 -","- C10 H34 N20 O21 Sr2 -","- C80 H272 N160 O168 Sr16 -","8","1","","Wang, Yanna; Yang, Xiaoming; Hu, Jie; Li, Haibo; Li, Zhimin; Zhang, Tonglai","Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate","New Journal of Chemistry","2020","44","44","19054","19060","10.1039/D0NJ03773G","","","0.71073","MoKα","","0.0972","0.076","","","0.1284","0.1368","","","","","","1.221","","","","has coordinates","259608","2020-12-06","14:31:08",""
"7060133","10.2621","0.0009","14.7331","0.0012","19.7363","0.0018","90","","90","","90","","2984","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pt -","- C18 H24 Pt -","- C144 H192 Pt8 -","8","1","","Neugebauer, Michael; Schmitz, Simon; Brünink, Dana; Doltsinis, Nikos L.; Klein, Axel","Dynamics of the efficient cyclometalation of the undercoordinated organoplatinum complex [Pt(COD)(neoPh)]+ (neoPh = 2-methyl-2-phenylpropyl)","New Journal of Chemistry","2020","44","44","19238","19249","10.1039/D0NJ04811A","","","0.71073","MoKα","","0.0511","0.0384","","","0.0979","0.1038","","","","","","1.024","","","","has coordinates","259560","2020-12-05","11:32:14",""
"7060135","9.1066","0.0003","14.6728","0.0005","38.6322","0.0014","90","","90","","90","","5162","0.3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Cl N3 P Pd S -","- C26 H27 Cl N3 P Pd S -","- C208 H216 Cl8 N24 P8 Pd8 S8 -","8","1","","de Moura, Thales Reggiani; Zanetti, Renan Diego; Silva, Debora Eduarda Soares; de Farias, Renan Lira; Mauro, Antonio Eduardo; Pereira, José Clayston Melo; de Souza, Aline Aparecida; da Silva Siqueira, Fábio; de Souza Júdice, Wagner Alves; Lima, Mauro Almeida; Rocha, Fillipe Vieira; Deflon, Victor Marcelo; Vieira de Godoy Netto, Adelino","Palladium(ii) complexes bearing 1-iminothiolate-3,5-dimethylpyrazoles: synthesis, cytotoxicity, DNA binding and enzymatic inhibition studies","New Journal of Chemistry","2020","44","45","19891","19901","10.1039/D0NJ02825H","","","0.71073","MoKα","","0.0442","0.0424","","","0.1079","0.109","","","","","","1.375","","","","has coordinates","259562","2020-12-05","11:36:34",""
"7060159","7.9304","0.0002","15.4465","0.0005","39.4906","0.0013","90","","90","","90","","4837.5","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 K3 N12 O15 -","- C12 H9 K3 N12 O15 -","- C96 H72 K24 N96 O120 -","8","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.0342","0.0275","","","0.0636","0.0677","","","","","","1.079","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060194","11.6366","0.0011","11.8098","0.0011","25.255","0.002","90","","90","","90","","3470.7","0.5","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C136 H152 N8 O32 Sn8 -","8","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0553","0.0389","","","0.094","0.1068","","","","","","1.081","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060235","9.6619","0.0004","19.6122","0.0008","21.623","0.0009","90","","90","","90","","4097.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 F6 N O4 S -","- C21 H17 F6 N O4 S -","- C168 H136 F48 N8 O32 S8 -","8","1","","Grudova, Mariya V.; Gil, Diego M.; Khrustalev, Victor N.; Nikitina, Eugeniya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Kletskov, Alexey V.; Frontera, Antonio; Zubkov, Fedor I.","Synthesis, X-ray characterization and theoretical study of 3a,6:7,9a-diepoxybenzo[de]isoquinoline derivatives: on the importance of F⋯O interactions","New Journal of Chemistry","2020","44","46","20167","20180","10.1039/D0NJ04328A","","","0.71073","MoKα","","0.0631","0.0434","","","0.1084","0.1209","","","","","","1.029","","","","has coordinates","260551","2021-01-06","03:04:46",""
"7060252","10.3098","0.0008","7.7221","0.0014","26.353","0.002","90","","90","","90","","2098","0.4","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Zhou, Zhiqiang; Xu, Yao; Zhu, Boyu; Li, Ping; Hu, Guiwen; Yang, Fan; Xu, Shijie; Zhang, Xiaoxiang","One-pot synthesis of 3-hydroxy-2-oxindoles via acyloin rearrangements of 2-hydroxy-indolin-3-ones generated in situ from 2-alkynyl arylazides","New Journal of Chemistry","2020","44","46","20303","20307","10.1039/D0NJ04588H","","x-ray","0.71073","MoKα","","0.0498","0.0404","","","0.0899","0.0949","","","","","","1.077","","","","has coordinates","260555","2021-01-06","03:08:58",""
"7060348","9.8725","0.0002","16.5515","0.0003","29.9337","0.0006","90","","90","","90","","4891.31","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C216 H176 N16 O40 -","8","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.059","0.0433","","","0.1093","0.1206","","","","","","1.024","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060372","16.8841","0.0006","13.127","0.0004","18.262","0.002","90","","90","","90","","4047.5","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O7 S -","- C20 H22 N2 O7 S -","- C160 H176 N16 O56 S8 -","8","1","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.1371","0.1056","","","0.2883","0.3522","","","","","","1.191","","","","has coordinates","263806","2021-04-05","15:09:28",""
"7060471","7.5793","0.0015","11.453","0.002","27.652","0.006","90","","90","","90","","2400.4","0.8","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Br N O2 S -","- C12 H8 Br N O2 S -","- C96 H64 Br8 N8 O16 S8 -","8","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.1158","0.0945","","","0.1668","0.1737","","","","","","1.266","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060509","21.2514","0.0003","16.3136","0.0003","36.1817","0.0006","90","","90","","90","","12543.7","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C78 H70 N2 O2 -","- C78 H70 N2 O2 -","- C624 H560 N16 O16 -","8","1","","Zhang, Guang-Wei; Xiang, Jia-Yin; Zhong, Tao-Tao; Zhi, Xin-Ru; Gao, Chuang; Huang, Wei; Yuan, Shuai; Xie, Ling-Hai; Huang, Wei","Iodide ion receptors: shape-persistent macrocycles of syn/anti configurations","New Journal of Chemistry","2021","45","15","6796","6802","10.1039/D1NJ00247C","","","1.54178","CuKα","","0.1597","0.1405","","","0.257","0.2653","","","","","","1.063","","","","has coordinates,has disorder","264934","2021-05-05","08:57:48",""
"7060660","13.0105","0.0006","11.6307","0.0005","21.7397","0.0009","90","","90","","90","","3289.7","0.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl4 N2 Ni2 O4 -","- C32 H34 Cl4 N2 Ni2 O4 -","- C128 H136 Cl16 N8 Ni8 O16 -","4","0.5","","Hu, Miao; Jiang, Yong; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun","Nickel-catalyzed C3-alkylation of indoles with alcohols via a borrowing hydrogen strategy","New Journal of Chemistry","2021","45","22","10057","10062","10.1039/D1NJ01581H","","","0.71073","MoKα","","0.0501","0.0318","","","0.0676","0.0762","","","","","","1.033","","","","has coordinates,has disorder","267212","2021-07-05","18:04:17",""
"7060678","20.766","0.0003","13.94118","0.00018","24.7923","0.0003","90","","90","","90","","7177.43","0.16","250","0.1","250","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H90 O26 P2 Ti6 -","- C56 H90 O26 P2 Ti6 -","- C224 H360 O104 P8 Ti24 -","4","0.5","","Mou, Wen-Yu; Xie, Bin; Li, Xiao-Long; Lai, Chuan; Li, Tao; Chen, Luo; Feng, Jian-Shen; Bai, Xiao-Xue; Wu, Yu; Wu, Wei-Ping; Zhang, Dong-Liang; Gu, Yun-Tian","Tartrate-stabilized titanium‒oxo clusters containing sulfonate chromophore ligands: synthesis, crystal structures and photochemical properties","New Journal of Chemistry","2021","45","24","10930","10939","10.1039/D1NJ01540K","","x-ray","1.54184","CuKα","","0.0764","0.0641","","","0.1786","0.1956","","","","","","1.036","","","","has coordinates,has disorder","267207","2021-07-05","18:03:48",""
"7060706","16.793","0.003","9.9261","0.0018","19.198","0.004","90","","90","","90","","3200.1","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl N3 Ni O2 -","- C15 H20 Cl N3 Ni O2 -","- C120 H160 Cl8 N24 Ni8 O16 -","8","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0272","0.0231","","","0.0552","0.0575","","","","","","1.028","","","","has coordinates","268858","2021-09-06","12:01:17",""
"7060748","17.7607","0.0012","6.407","0.0004","30.907","0.002","90","","90","","90","","3517","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Ca N8 O15 -","- C6 H14 Ca N8 O15 -","- C48 H112 Ca8 N64 O120 -","8","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.1363","0.0631","","","0.1269","0.161","","","","","","1.046","","","","has coordinates,has disorder","268849","2021-09-06","11:59:35",""
"7060792","7.0855","0.0016","16.597","0.005","31.064","0.009","90","","90","","90","","3653.1","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Cl N5 O2 Re Se2 -","- C13 H17 Cl N5 O2 Re Se2 -","- C104 H136 Cl8 N40 O16 Re8 Se16 -","8","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.71073","MoKα","","0.0241","0.0189","","","0.0375","0.0401","","","","","","1.169","","","","has coordinates","268832","2021-09-06","11:56:48",""
"7060816","8.8097","0.0005","12.6229","0.0008","14.4382","0.0009","90","","90","","90","","1605.59","0.17","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VP-003","","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.031","0.0198","","","0.0388","0.0415","","","","","","1.057","","","","has coordinates","268892","2021-09-06","12:12:40",""
"7060883","6.7162","0.0007","7.9031","0.0008","53.511","0.005","90","","90","","90","","2840.3","0.5","208","2","208.14","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N -","- C19 H15 N -","- C152 H120 N8 -","8","1","","Xia, Ai-Bao; Li, Chen; Bai, Liang; Ge, Min-Tong; Wang, Ying; Qiu, Yuan-Rui; Xu, Dan-Qian","Base-controlled chemoselectivity: direct coupling of alcohols and acetonitriles to synthesise α-alkylated arylacetonitriles or acetamides","New Journal of Chemistry","2021","","","","","10.1039/D1NJ02243A","","","1.34139","GaKα","","0.058","0.0428","","","0.0972","0.1065","","","","","","1.053","","","","has coordinates","267880","2021-08-01","04:00:37",""
"7060893","9.8582","0.0004","17.8425","0.0007","22.8923","0.0011","90","","90","","90","","4026.6","0.3","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C6 H21 Cl3 F6.13 N O3 P Ru S3 -","- C6 H21 Cl3 F6.126 N O3 P Ru S3 -","- C48 H168 Cl24 F49.008 N8 O24 P8 Ru8 S24 -","8","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.1058","0.0695","","","0.1394","0.1529","","","","","","1.25","","","","has coordinates,has disorder","269740","2021-10-06","16:00:23",""
"7060898","9.936","0.001","17.6315","0.0017","21.705","0.002","90","","90","","90","","3802.4","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl Co N3 O7 -","- C15 H26 Cl Co N3 O7 -","- C120 H208 Cl8 Co8 N24 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0608","0.0418","","","0.1186","0.1325","","","","","","0.9584","","","","has coordinates","269751","2021-10-06","16:02:48",""
"7060900","9.8845","0.0005","17.5819","0.0009","21.6657","0.0011","90","","90","","90","","3765.2","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl N3 Ni O7 -","- C15 H26 Cl N3 Ni O7 -","- C120 H208 Cl8 N24 Ni8 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0372","0.0296","","","0.1053","0.1133","","","","","","0.9199","","","","has coordinates","269751","2021-10-06","16:02:52",""
"7060901","10.0781","0.0003","17.6611","0.0005","21.6437","0.0006","90","","90","","90","","3852.37","0.19","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl Mn N3 O7 -","- C15 H26 Cl Mn N3 O7 -","- C120 H208 Cl8 Mn8 N24 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0348","0.0295","","","0.0691","0.0735","","","","","","1.0675","","","","has coordinates","269751","2021-10-06","16:02:52",""
"7060906","11.6475","0.0008","12.5986","0.001","26.1644","0.0019","90","","90","","90","","3839.4","0.5","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C208 H160 N16 O8 -","8","1","","Karmakar, Swastik; Das, Prasanta; Kundu, Sandip","Silver-catalyzed tandem 5- and 6-endo-cyclizations via concomitant yne-ol-imine activation: selective entry to 2-aryldihydrofuroquinolines","New Journal of Chemistry","2021","45","35","16112","16118","10.1039/D1NJ02643G","","","1.54184","CuKα","","0.0443","0.0431","","","0.1051","0.1064","","","","","","1.114","","","","has coordinates","269756","2021-10-06","16:03:53",""
"7060912","26.9078","0.001","27.1717","0.0011","34.4369","0.0013","90","","90","","90","","25177.9","1.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C128 H146 Cl4 N10 O8 S10 -","- C128 H146 Cl4 N10 O8 S10 -","- C1024 H1168 Cl32 N80 O64 S80 -","8","1","","Rahman, Shofiur; Tomiyasu, Hirotsugu; Wang, Chuan-Zeng; Georghiou, Paris E.; Alodhayb, Abdullah; Carpenter-Warren, Cameron L.; Elsegood, Mark R. J.; Teat, Simon J.; Redshaw, Carl; Yamato, Takehiko","Allosteric binding properties of a 1,3-alternate thiacalix[4]arene-based receptor having phenylthiourea and 2-pyridylmethyl moieties on opposite faces","New Journal of Chemistry","2021","45","41","19235","19243","10.1039/D1NJ02991F","","","0.7749","synchrotron","","0.0764","0.0513","","","0.1292","0.1555","","","","","","1.055","","","","has coordinates,has disorder","270469","2021-11-06","20:29:22",""
"7060925","16.3414","0.0011","7.8369","0.0005","19.833","0.001","90","","90","","90","","2539.9","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Fe N2 O -","- C14 H16 Fe N2 O -","- C112 H128 Fe8 N16 O8 -","8","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0895","0.0473","","","0.0873","0.0966","","","","","","0.986","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060972","16.9114","0.0012","8.4024","0.0006","35.811","0.003","90","","90","","90","","5088.6","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C256 H176 N32 -","8","1","","Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo","A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine","New Journal of Chemistry","2021","45","43","20173","20180","10.1039/D1NJ03642D","","","0.71073","MoKα","","0.0995","0.0574","","","0.1348","0.1627","","","","","","1.037","","","","has coordinates","271193","2021-12-07","03:39:50",""
"7060979","21.426","0.0011","15.1726","0.0007","18.2179","0.0008","90","","90","","90","","5922.4","0.5","180","","180","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Co I O2 P3 -","- C30 H34 Co I O2 P3 -","- C240 H272 Co8 I8 O16 P24 -","8","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","x-ray","1.34143","GaKα","","0.0618","0.0344","","","0.074","0.0793","","","","","","0.916","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060981","13.6916","0.0005","13.9509","0.0008","47.3618","0.0011","90","","90","","90","","9046.6","0.6","180","","180","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H59 Cl Co N2 O2 P3 Si -","- C46 H59 Cl Co N2 O2 P3 Si -","- C368 H472 Cl8 Co8 N16 O16 P24 Si8 -","8","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.34143","GaKα","","0.0488","0.0364","","","0.0963","0.1016","","","","","","1.05","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7061003","10.7902","0.0003","12.9624","0.0004","17.946","0.0006","90","","90","","90","","2510.05","0.13","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 K2 N8 O10 -","- C4 K2 N8 O10 -","- C32 K16 N64 O80 -","8","1","","Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun","Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives","New Journal of Chemistry","2021","45","43","20426","20431","10.1039/D1NJ04452D","","","0.71073","MoKα","","0.0403","0.0285","","","0.0627","0.0686","","","","","","1.057","","","","has coordinates","271189","2021-12-07","03:38:48",""
"7061026","13.7368","0.0005","17.5335","0.0007","31.0162","0.0012","90","","90","","90","","7470.4","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Dy N13 O5 S3 -","- C26 H20 Dy N13 O3 S3 -","- C208 H160 Dy8 N104 O24 S24 -","8","1","","Chen, Peiqiong; Sun, Xiao; Guo, Xuefeng; Liu, Dan; Liu, Hou-Ting; Lu, Jing; Tian, Haiquan","A quasilinear hydrazone-based mononuclear dysprosium compound with C4v symmetry exhibiting field-induced complex magnetic relaxation","New Journal of Chemistry","2021","45","46","21708","21715","10.1039/D1NJ04620A","","","0.71073","MoKα","","0.0594","0.0349","","","0.0993","0.1397","","","","","","0.626","","","","has coordinates","271194","2021-12-07","03:40:19",""
"7061101","11.1802","0.0002","13.5729","0.0002","33.3512","0.0007","90","","90","","90","","5060.97","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Cl N3 P Se -","- C25 H31 Cl N3 P Se -","- C200 H248 Cl8 N24 P8 Se8 -","8","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0314","0.025","","","0.0596","0.0624","","","","","","1.023","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061130","15.949","0.0002","15.4462","0.0002","19.0718","0.0002","90","","90","","90","","4698.37","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H30 N4 -","- C30 H30 N4 -","- C240 H240 N32 -","8","1","","Filatova, Ekaterina A.; Tsybulin, Semyon V.; Rybin, Dmitry A.; Ozeryanskii, Valery A.; Gulevskaya, Anna V.; Pozharskii, Alexander F.; Borodkin, Gennady S.","A new family of 1,4-diaryl-1,3-butadiynes based on the “proton sponge”: synthesis, electronic and chemical properties","New Journal of Chemistry","2022","46","4","1829","1838","10.1039/D1NJ05350G","","x-ray","1.54184","CuKα","","0.0506","0.0459","","","0.1206","0.124","","","","","","1.026","","","","has coordinates","272727","2022-02-04","19:55:40",""
"7061141","17.3121","0.0004","15.9196","0.0004","21.8917","0.0005","90","","90","","90","","6033.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H88 Cl2 N4 O4 Si2 Tb2 -","- C56 H88 Cl2 N4 O4 Si2 Tb2 -","- C224 H352 Cl8 N16 O16 Si8 Tb8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0539","0.0347","","","0.075","0.0847","","","","","","1.026","","","","has coordinates","272717","2022-02-04","19:53:55",""
"7061142","18.5551","0.0016","17.539","0.002","21.8449","0.0017","90","","90","","90","","7109.2","1.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H112 Cl2 N4 O4 Si2 Y2 -","- C68 H112 Cl2 N4 O4 Si2 Y2 -","- C272 H448 Cl8 N16 O16 Si8 Y8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0758","0.0375","","","0.0809","0.092","","","","","","1.007","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061144","17.2844","0.0015","15.8628","0.0015","21.879","0.002","90","","90","","90","","5998.8","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H88 Cl2 N4 O4 Si2 Y2 -","- C56 H88 Cl2 N4 O4 Si2 Y2 -","- C224 H352 Cl8 N16 O16 Si8 Y8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0846","0.0401","","","0.079","0.0941","","","","","","1.011","","","","has coordinates","272717","2022-02-04","19:53:55",""
"7061145","18.589","0.0003","17.5439","0.0004","21.9363","0.0004","90","","90","","90","","7153.9","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H112 Cl2 N4 O4 Si2 Tb2 -","- C68 H112 Cl2 N4 O4 Si2 Tb2 -","- C272 H448 Cl8 N16 O16 Si8 Tb8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0501","0.0284","","","0.0612","0.0693","","","","","","1.01","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061146","17.3771","0.0018","15.9355","0.0013","21.937","0.002","90","","90","","90","","6074.6","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H88 Cl2 Gd2 N4 O4 Si2 -","- C56 H88 Cl2 Gd2 N4 O4 Si2 -","- C224 H352 Cl8 Gd8 N16 O16 Si8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0384","0.0266","","","0.0574","0.0639","","","","","","1.021","","","","has coordinates","272717","2022-02-04","19:53:55",""
"7061147","18.671","0.003","17.547","0.002","21.967","0.003","90","","90","","90","","7196.8","1.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H112 Cl2 N4 O4 Si2 Sm2 -","- C68 H112 Cl2 N4 O4 Si2 Sm2 -","- C272 H448 Cl8 N16 O16 Si8 Sm8 -","4","0.5","","Mironova, Olga A.; Lashchenko, Daniil I.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Bashirov, Denis A.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth complexes bearing silanediamido ligands Me2Si(NAryl)22− (Aryl = Dipp, Mes)","New Journal of Chemistry","2022","46","5","2351","2359","10.1039/D1NJ05722G","","","0.71073","MoKα","","0.0923","0.0619","","","0.1504","0.1704","","","","","","1.28","","","","has coordinates,has disorder","272717","2022-02-04","19:53:55",""
"7061178","13.507","0.003","8.2794","0.0017","16.968","0.003","90","","90","","90","","1897.5","0.7","439.6","","439.6","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 B2 Cu N16 -","- C10 H16 B2 Cu N16 -","- C40 H64 B8 Cu4 N64 -","4","0.5","","Mei, Haozheng; Xu, Yiqiang; Lei, Guorong; Cao, Wenli; Li, Zhimin; Zhang, Jianguo","Synthesis, structure and properties of a high-energy metal–organic framework fuel [Cu(MTZ)2(CTB)2]n","New Journal of Chemistry","2022","46","4","1687","1692","10.1039/D1NJ05710C","","","0.71073","MoKα","","0.1434","0.1128","","","0.1589","0.1699","","","","","","1.31","","","","has coordinates","272724","2022-02-04","19:55:08",""
"7061212","16.2038","0.0006","6.1025","0.0002","28.4996","0.001","90","","90","","90","","2818.15","0.17","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H7 F4 I O -","- C15 H7 F4 I O -","- C120 H56 F32 I8 O8 -","8","1","","Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu","Halogen atom effect of fluorinated tolanes on their luminescence characteristics","New Journal of Chemistry","2022","46","10","4562","4569","10.1039/D1NJ05539A","","x-ray","0.71073","MoKα","","0.0441","0.0342","","","0.0928","0.0983","","","","","","1.1","","","","has coordinates","275002","2022-05-05","20:41:34",""
"7061250","14.9248","0.0002","14.988","0.0002","22.0289","0.0003","90","","90","","90","","4927.71","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 In N6 Se3 -","- C18 H21 In N6 Se3 -","- C144 H168 In8 N48 Se24 -","8","1","","Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Wadawale, A. P.; Kedarnath, G.; Kumar, N. Naveen; Bahadur, Jitendra","Synthesis of photo-responsive indium selenides (InSe and In2Se3) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(iii) as a molecular precursor","New Journal of Chemistry","2022","46","8","3871","3881","10.1039/D1NJ06167D","","x-ray","1.54184","CuKα","","0.0481","0.0464","","","0.1421","0.1442","","","","","","1.049","","","","has coordinates","273384","2022-03-04","22:18:08",""
"7061257","28.53","0.006","26.984","0.005","34.406","0.007","90","","90","","90","","26488","9","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C117 H140 F24 Fe2 N10 O3 P8 Ru -","- C100 H110 F24 Fe2 N6 P8 Ru -","- C800 H880 F192 Fe16 N48 P64 Ru8 -","8","1","","Wang, Yong","Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]","New Journal of Chemistry","2022","46","8","3978","3984","10.1039/D1NJ05900A","","","0.71073","MoKα","","0.1038","0.0841","","","0.2228","0.2445","","","","","","1.05","","","","has coordinates,has disorder","273388","2022-03-04","22:19:10",""
"7061284","17.9319","0.0001","17.9552","0.0001","26.0142","0.0001","90","","90","","90","","8375.81","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H50 Cl5 O P2 Rh -","- C43 H50 Cl5 O P2 Rh -","- C344 H400 Cl40 O8 P16 Rh8 -","8","1","","Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Exploring steric and electronic parameters of biaryl phosphacycles","New Journal of Chemistry","2022","46","10","4677","4686","10.1039/D1NJ05769C","","x-ray","1.54184","CuKα","","0.026","0.0248","","","0.0625","0.0631","","","","","","1.055","","","","has coordinates,has disorder","275003","2022-05-05","20:41:52",""
"7061310","7.7629","0.0002","17.002","0.0005","17.7065","0.0006","90","","90","","90","","2336.99","0.12","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides","New Journal of Chemistry","2022","46","12","5460","5463","10.1039/D2NJ00244B","","x-ray","1.54184","CuKα","","0.07","0.052","","","0.1321","0.1493","","","","","","1.066","","","","has coordinates","275000","2022-05-05","20:40:50",""
"7061360","21.1405","0.0007","17.9407","0.0005","22.1292","0.0007","90","","90","","90","","8393.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H45 Cl N6 O10 Zn -","- C43 H45 Cl N6 O10 Zn -","- C344 H360 Cl8 N48 O80 Zn8 -","8","1","","Dutta, Debasish; Sharma, Pranay; Gomila, Rosa M.; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Baruwa, Bandita; Bhattacharyya, Manjit K.","Solvent-driven structural topologies in phenanthroline-based co-crystals of Zn(ii) involving fascinating infinite chair-like {[(bzH)4Cl2]2−}n assemblies and unconventional layered infinite {bz-H2O-Cl}n anion-water clusters: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2022","46","12","5638","5652","10.1039/D1NJ05234A","","","1.54178","CuKα","","0.045","0.0439","","","0.115","0.1159","","","","","","1.094","","","","has coordinates,has disorder","275042","2022-05-05","20:49:12",""
"7061363","14.2508","0.0006","9.3792","0.0004","19.5878","0.0008","90","","90","","90","","2618.13","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0767","0.0415","","","0.1012","0.1229","","","","","","1.024","","","","has coordinates","275044","2022-05-05","20:50:02",""
"7061364","8.8905","0.0003","10.3802","0.0003","17.6535","0.0005","90","","90","","90","","1629.16","0.09","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Pramanik, Kuheli; Jana, Narayan Ch.","The first exploration of coordination chemistry using a methyl substituted o-vanillin based ligand: an example starting with Dy4/Zn2Dy2 systems displaying slow relaxation of magnetization","New Journal of Chemistry","2022","46","12","5627","5637","10.1039/D1NJ05717K","","","0.71073","MoKα","","0.0569","0.0423","","","0.1108","0.1223","","","","","","1.024","","","","has coordinates","275044","2022-05-05","20:50:02",""
"7061370","13.1157","0.0003","13.2742","0.0004","29.9769","0.0008","90","","90","","90","","5219","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H30 B N O6 S2 -","- C26 H30 B N O6 S2 -","- C208 H240 B8 N8 O48 S16 -","8","1","","Jing, Haoyu; Liu, Sijia; Jiang, Jianbing; Tran, Vy-Phuong; Rong, Jie; Wang, Pengzhi; Lindsey, Jonathan S.","Meso bromination and derivatization of synthetic bacteriochlorins","New Journal of Chemistry","2022","","","","","10.1039/D1NJ05853C","","x-ray","1.54178","CuKα","","0.0741","0.0692","","","0.1753","0.1782","","","","","","1.214","","","","has coordinates","273544","2022-03-09","01:18:11",""
"7061422","8.6181","0.0001","30.4536","0.0002","11.3734","0.0001","90","","90","","90","","2984.97","0.05","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzimidazolium 2,4-Dichlorophenoxyacetate","","- C15 H12 Cl2 N2 O3 -","- C15 H12 Cl2 N2 O3 -","- C120 H96 Cl16 N16 O24 -","8","1","","Li, Jiulong; Li, Chang; Ji, Xu; Sun, Qin; Li, Zhi; Liu, He; Zhou, Lina; Jing, Dingding; Gong, Junbo; Chen, Wei","Combined virtual and experimental screening of multicomponent crystals of 2,4-dichlorophenoxyacetic acid","New Journal of Chemistry","2022","46","18","8708","8719","10.1039/D2NJ00536K","","x-ray","1.54184","CuKα","","0.037","0.0347","","","0.0919","0.0938","","","","","","1.067","","","","has coordinates","275804","2022-06-06","01:55:53",""
"7061437","15.925","0.003","17.322","0.003","26.711","0.005","90","","90","","90","","7368","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H57 N2 O Si2 Y -","- C33 H57 N2 O Si2 Y -","- C264 H456 N16 O8 Si16 Y8 -","8","1","","Huo, Yanchen; Hu, Xiang; Wang, Jixing; Hu, Hongfan; Shi, Xiaochao","Amido-trihydroquinoline ligated rare-earth metal complexes for polymerization of isoprene","New Journal of Chemistry","2022","46","17","8277","8283","10.1039/D2NJ00707J","","","0.71073","MoKα","","0.0659","0.0342","","","0.0741","0.0833","","","","","","1.001","","","","has coordinates","275012","2022-05-05","20:43:19",""
"7061633","17.5906","0.0008","12.7342","0.0007","21.5096","0.001","90","","90","","90","","4818.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O5 S -","- C28 H26 O5 S -","- C224 H208 O40 S8 -","8","1","","Gu, Yingge; Yang, Yajie; Wang, Ye; Wang, Zongkang; Zhu, Yilin; Li, Yanzhong","Transition-metal-free insertion of alkynes into the C–C σ-bond of cyclic β-keto sulfones: an atom-economical way to medium-size-ring sulfonyl derivatives","New Journal of Chemistry","2022","46","30","14309","14313","10.1039/D2NJ01197B","","","0.71073","MoKα","","0.0899","0.053","","","0.1153","0.1301","","","","","","1.018","","","","has coordinates","277134","2022-08-06","11:58:19",""
"7061639","15.2774","0.0006","11.0794","0.0004","16.7363","0.0007","90","","90","","90","","2832.86","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 Na2 O4 S4 -","- C24 H34 N2 Na2 O4 S4 -","- C96 H136 N8 Na8 O16 S16 -","4","0.5","","Rogozhin, Anton F.; Ilichev, Vasily A.; Fagin, Anatoly A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Andreev, Boris A.; Bochkarev, Mikhail N.","Novel ditopic 2-mercaptothiazoles and their sodium salts: synthesis, structural diversity and luminescence","New Journal of Chemistry","2022","46","29","13987","13995","10.1039/D2NJ02746A","","","0.71073","MoKα","","0.0437","0.0308","","","0.0724","0.0777","","","","","","1.027","","","","has coordinates,has disorder","277113","2022-08-06","11:54:37",""
"7061651","13.829","0.003","7.0389","0.0013","15.224","0.003","90","","90","","90","","1481.9","0.5","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H Cl2 N5 O2 -","- C4 H Cl2 N5 O2 -","- C32 H8 Cl16 N40 O16 -","8","1","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.1028","0.0622","","","0.1485","0.1733","","","","","","1.048","","","","has coordinates","277132","2022-08-06","11:58:05",""
"7061656","8.9927","0.0005","15.7743","0.0009","21.8858","0.0014","90","","90","","90","","3104.6","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 O3 -","- C4 Cl2 N4 O3 -","- C64 Cl32 N64 O48 -","16","2","","Zhang, Qi; He, Chunlin; Pang, Siping","Synthesis of heterocyclic (triazole, furoxan, furazan) fused pyridazine di-N-oxides via hypervalent iodine oxidation","New Journal of Chemistry","2022","46","30","14324","14327","10.1039/D2NJ02908A","","","0.71073","MoKα","","0.073","0.0539","","","0.1243","0.1393","","","","","","1.027","","","","has coordinates,has disorder","277132","2022-08-06","11:58:05",""
"7061658","10.6875","0.0016","20.073","0.003","22.491","0.003","90","","90","","90","","4825","1.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","dihydroquinolinones","(E)-3-(4-bromobenzylidene)-2-(2-methoxyphenyl)-2,3-dihydro-1-(phenylsulfo-nyl)quinolin-4(1H)-one","","- C29 H22 Br N O4 S -","- C29 H22 Br N O4 S -","- C232 H176 Br8 N8 O32 S8 -","8","1","","Sallum, Loide O.; Valverde, Clodoaldo; Andrade, Igor L.; D’Oliveira, Giulio D. C.; Perez, Caridad N.; Camargo, Ademir J.; Osório, Francisco A. P.; Fonseca, Tertius L.; Napolitano, Hamilton B.","Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones","New Journal of Chemistry","2022","46","29","14192","14204","10.1039/D2NJ00501H","","","0.71073","MoKα","","0.0302","0.0238","","","0.0606","0.0633","","","","","","1.039","","","","has coordinates","276932","2022-07-26","00:26:50",""
"7061659","10.7125","0.001","20.0428","0.0019","22.431","0.002","90","","90","","90","","4816.1","0.8","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","dihydroquinolinones","(E)-3-(4-chlorobenzylidene)-2-(2-methoxyphenyl)-2,3-dihydro-1-(phenylsulfo-nyl)quinolin-4(1H)-one","","- C29 H22 Cl N O4 S -","- C29 H22 Cl N O4 S -","- C232 H176 Cl8 N8 O32 S8 -","8","1","","Sallum, Loide O.; Valverde, Clodoaldo; Andrade, Igor L.; D’Oliveira, Giulio D. C.; Perez, Caridad N.; Camargo, Ademir J.; Osório, Francisco A. P.; Fonseca, Tertius L.; Napolitano, Hamilton B.","Molecular modeling and nonlinear optical properties of new isostructural halogenated dihydroquinolinones","New Journal of Chemistry","2022","46","29","14192","14204","10.1039/D2NJ00501H","","","0.71073","MoKα","","0.0547","0.036","","","0.0825","0.0914","","","","","","1.008","","","","has coordinates","276932","2022-07-26","00:26:51",""
"7061698","12.7602","0.0005","13.8269","0.0005","23.4103","0.0009","90","","90","","90","","4130.4","0.3","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Fe N5 O5 -","- C20 H24 Fe N5 O5 -","- C160 H192 Fe8 N40 O40 -","8","1","","Laha, Soumik; Sathapathi, Dibyendu; Das, Mainak; Das, Manik; Ray, Partha Pratim; Bag, Arijit; Samanta, Bidhan Chandra; Das, Uttam Kumar; Maity, Tithi","Synthesis, characterization and multi-dimensional application approach for two distinctive tetra nuclear, first-time reported, Fe3+/Hg2+ and Fe3+/Cd2+ clusters from a new Fe3+ containing metalloligand","New Journal of Chemistry","2022","46","35","16730","16742","10.1039/D2NJ03357G","","","0.71073","MoKα","","0.0488","0.0429","","","0.119","0.1282","","","","","","1.053","","","","has coordinates","278462","2022-10-07","01:13:13",""
"7061740","11.5714","0.0004","13.0479","0.0004","25.9366","0.001","90","","90","","90","","3916","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl F3 N2 Rh -","- C21 H19 Cl F3 N2 Rh -","- C168 H152 Cl8 F24 N16 Rh8 -","8","1","","Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David","Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes","New Journal of Chemistry","2022","46","35","16789","16800","10.1039/D2NJ02949A","","","0.71073","MoKα","","0.0768","0.0467","","","0.076","0.0859","","","","","","1.104","","","","has coordinates","278460","2022-10-07","01:11:47",""
"7061787","15.5512","0.0008","14.6926","0.0007","16.9036","0.0009","90","","90","","90","","3862.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H26 Cl3 N2 Ni P -","- C14 H26 Cl3 N2 Ni P -","- C112 H208 Cl24 N16 Ni8 P8 -","8","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0477","0.0354","","","0.0902","0.0998","","","","","","1.066","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061874","13.9956","0.0005","15.6522","0.0007","27.3451","0.0009","90","","90","","90","","5990.3","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Br2 Co N2 Te2 -","- C10 H8 Br2 Co N2 Te2 -","- C160 H128 Br32 Co16 N32 Te32 -","16","2","","da Silva, Felipe Dornelles; Bortolotto, Tanize; Tirloni, Bárbara; Daudt, Natália de Freitas; Lang, Ernesto Schulz; Cargnelutti, Roberta","Bis(2-pyridyl)ditellane as a precursor to CoII, CuI and CuII complex formation: structural characterization and photocatalytic studies","New Journal of Chemistry","2022","46","38","18165","18172","10.1039/D2NJ02761E","","","0.71073","MoKα","","0.0507","0.0378","","","0.0813","0.0892","","","","","","1.098","","","","has coordinates","278479","2022-10-07","01:19:53",""
"7061875","27.5216","0.0005","16.1867","0.0002","28.0818","0.0005","90","","90","","90","","12510","0.4","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H60 Ag Cl3 O4 P4 Pt -","- C71 H60 Ag Cl3 O4 P4 Pt -","- C568 H480 Ag8 Cl24 O32 P32 Pt8 -","8","1","","Wei, Qiao-Hua; Zhang, Si-Qi; Ma, Xian-Jian; Huang, Zheng-Zhao; Wang, Bin","A novel heterometallic platinum(ii)–silver(i) alkynyl complex [PtAg(dppm)2(CCC6H4COOCH3-4)2Cl] with two crystal morphologies exhibiting morphology-dependent photoluminescence","New Journal of Chemistry","2022","46","39","18990","18995","10.1039/D2NJ02016E","","","0.71073","MoKα","","0.028","0.0214","","","0.0454","0.0491","","","","","","1.052","","","","has coordinates,has disorder","279012","2022-11-07","05:40:12",""
"7061908","11.35633","0.00017","12.74","0.0003","24.1766","0.0005","90","","90","","90","","3497.86","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl-3-oxo-4-hydropyrazine-2-carboxylate","","- C12 H22 N4 O11 -","- C12 H22 N4 O11 -","- C96 H176 N32 O88 -","8","1","","Ghosh, Priyanka; Panda, Subhra Jyoti; Purohit, Chandra Shekhar","A new short synthesis route for favipiravir and its analogue: Their tautomerization behaviour","New Journal of Chemistry","2022","46","39","18824","18831","10.1039/D2NJ02996K","","x-ray","1.54184","CuKα","","0.0638","0.0511","","","0.124","0.1316","","","","","","1.036","","","","has coordinates","279014","2022-11-07","05:40:51",""
"7061935","17.3887","0.0004","9.9535","0.0003","19.3374","0.0005","90","","90","","90","","3346.89","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N3 O2 Pd -","- C15 H25 N3 O2 Pd -","- C120 H200 N24 O16 Pd8 -","8","1","","Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr","Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety","New Journal of Chemistry","2022","46","45","21536","21552","10.1039/D2NJ04270C","","","0.71073","MoKα","","0.0216","0.0193","","","0.0455","0.047","","","","","","1.046","","","","has coordinates","280212","2023-01-06","09:57:26",""
"7061946","21.6907","0.0005","17.7028","0.0004","22.6847","0.0005","90","","90","","90","","8710.6","0.3","213","2","213","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H39 F6 Fe N O3 P2 Pd S -","- C48 H39 F6 Fe N O3 P2 Pd S -","- C384 H312 F48 Fe8 N8 O24 P16 Pd8 S8 -","8","1","","Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong","Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes","New Journal of Chemistry","2022","46","43","20760","20767","10.1039/D2NJ04198G","","","1.34139","GaKα","","0.0456","0.0348","","","0.0844","0.0896","","","","","","1.053","","","","has coordinates,has disorder","280186","2023-01-06","09:51:35",""
"7061955","7.5349","0.0007","7.3677","0.0007","31.746","0.003","90","","90","","90","","1762.4","0.3","303","2","303","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cd Cl4 N2 S2 -","- C10 H16 Cd Cl4 N2 S2 -","- C40 H64 Cd4 Cl16 N8 S8 -","4","0.5","","Han, Li-Jun; Liu, Jia; Shao, Ting; Jia, Qiang-Qiang; Su, Chang-Yuan; Fu, Da-Wei; Lu, Hai-Feng","A Cd-based perovskite with optical-electrical multifunctional response","New Journal of Chemistry","2022","46","37","17928","17933","10.1039/D2NJ03330E","","","0.71073","MoKα","","0.1088","0.0689","","","0.1724","0.2653","","","","","","1.177","","","","has coordinates","278378","2022-10-06","06:37:34",""
"7061959","13.3131","0.001","14.5026","0.0009","22.9969","0.0016","90","","90","","90","","4440.1","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cu N3 O5 S -","- C24 H19 Cu N3 O5 S -","- C192 H152 Cu8 N24 O40 S8 -","8","1","","Gaur, Ruchi; Kallem, Parashuram","Structural and theoretical study of copper(ii) complex incorporating chalcone and 2,2′-bipyridine mixed ligands: a probable candidate for optical material","New Journal of Chemistry","2022","46","42","20366","20376","10.1039/D2NJ02988J","","","0.71073","MoKα","","0.0671","0.0362","","","0.0823","0.088","","","","","","0.859","","","","has coordinates,has disorder","279006","2022-11-07","05:38:29",""
"7061983","8.879","0.0018","17.29","0.004","28.075","0.006","90","","90","","90","","4310","1.6","220","2","220","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","","Suresh, Pavithira; Prasanna Kumari, Subramaniyan; Krishna Reddy, Singarajanahalli Mundarinti; Anthony, Savarimuthu Philip; Thamotharan, Subbiah; Selva Ganesan, Subramaniapillai","Radical directed regioselective functionalization of diverse alkene derivatives","New Journal of Chemistry","2022","","","","","10.1039/D2NJ02824G","","","0.63","synchrotron","","0.0856","0.0682","","","0.2153","0.2302","","","","","","1.0419","","","","has coordinates,has disorder","278761","2022-10-25","00:48:27",""
"7062009","15.5619","0.0006","12.6968","0.0009","17.5458","0.0008","90","","90","","90","","3466.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.1724","0.125","","","0.2978","0.3596","","","","","","1.122","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062013","13.3483","0.0003","14.7869","0.0004","20.1111","0.001","90","","90","","90","","3969.5","0.2","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C200 H176 O24 -","8","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.1042","0.0723","","","0.1973","0.2462","","","","","","1.069","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062044","15.517","0.0006","12.1309","0.0005","34.2767","0.0013","90","","90","","90","","6452.1","0.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H54 B Ir N2 O2 P2 -","- C29 H54 B Ir N2 O2 P2 -","- C232 H432 B8 Ir8 N16 O16 P16 -","8","1","","Decker, David; Drexler, Hans-Joachim; Baumann, Wolfgang; Reiß, Fabian; Beweries, Torsten","Catalytic dehydrocoupling of methylamine borane using Yamashita's [Ir(PBP)] boryl complex – characterisation of a novel highly fluxional Ir tetrahydride","New Journal of Chemistry","2022","46","46","22314","22321","10.1039/D2NJ04914G","","","0.71073","MoKα","","0.029","0.0222","","","0.0453","0.0483","","","","","","1.078","","","","has coordinates","280190","2023-01-06","09:52:33",""
"7062115","14.8443","0.0004","12.8796","0.0004","20.9625","0.0007","90","","90","","90","","4007.8","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl2 Fe N2 P2 Pt2 -","- C44 H52 Cl2 Fe N2 P2 Pt2 -","- C176 H208 Cl8 Fe4 N8 P8 Pt8 -","4","0.5","","Zangeneh, Jalalaldin; Saghaie, Lotfollah; Etebari, Mahmoud; Dolatyari, Vahideh; Farasat, Zahra; Fereidoonnezhad, Masood; Shahsavari, Hamid R.","Binuclear platinum(ii) complexes bearing various bridging 1,1′-diphosphinoferrocene ligands as potential anticancer agents: synthesis and biological evaluation","New Journal of Chemistry","2023","47","2","931","940","10.1039/D2NJ05303A","","","0.71073","MoKα","","0.0221","0.0213","","","0.0596","0.0601","","","","","","1.005","","","","has coordinates","281522","2023-03-04","18:33:12",""
"7062160","22.1066","0.0005","9.3979","0.0004","30.6163","0.0006","90","","90","","90","","6360.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Cl3 N8 P3 -","- C29 H36 Cl3 N8 P3 -","- C232 H288 Cl24 N64 P24 -","8","1","","Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer","Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms","New Journal of Chemistry","2023","47","4","1900","1915","10.1039/D2NJ05010B","","","0.71073","MoKα","","0.0406","0.0354","","","0.0885","0.0913","","","","","","1.07","","","","has coordinates","281521","2023-03-04","18:33:04",""
"7062164","9.515","0.0013","19.552","0.003","57.266","0.008","90","","90","","90","","10654","3","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H52 N6 O7 S3 -","- C45 H52 N6 O7 S3 -","- C360 H416 N48 O56 S24 -","8","1","","Li, Junhong; Yuan, Lisha; Yang, Qinrong; Zhang, Ningjin; Bao, Xiaoping","Two carbazole disulfonamide-diamide macrocycles with semi-flexible meta-xylyl linkages for anion recognition","New Journal of Chemistry","2023","47","5","2343","2349","10.1039/D2NJ04412A","","","0.71073","MoKα","","0.0646","0.0533","","","0.1388","0.1455","","","","","","1.064","","","","has coordinates,has disorder","281504","2023-03-04","18:30:17",""
"7062180","12.3656","0.0003","11.6981","0.0003","18.3655","0.0005","90","","90","","90","","2656.64","0.12","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 Cu I2 N2 -","- C8 H17 Cu I2 N2 -","- C64 H136 Cu8 I16 N16 -","8","1","","Shao, Juan-Juan; Ni, Jian-Ling; Chen, Wei-Min; Liu, Peng-Lai; Mensah, Abraham; Chen, Li-Zhuang; Wang, Fang-Ming","Systematic regulation of ligands realizes the transition of luminescence color cuprous iodide inorganic–organic hybrid materials from blue to green light","New Journal of Chemistry","2023","47","5","2556","2564","10.1039/D2NJ04044A","","","0.71073","MoKα","","0.0276","0.0219","","","0.052","0.0546","","","","","","1.056","","","","has coordinates","281509","2023-03-04","18:30:56",""
"7062209","8.0773","0.0002","24.2356","0.0005","31.9915","0.0007","90","","90","","90","","6262.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N27 O16 -","- C17 H21 N27 O16 -","- C136 H168 N216 O128 -","8","1","","Parakhin, Vladimir V.; Pokhvisneva, Galina V.; Ternikova, Tatyana V.; Shlykova, Nina I.; Samigullina, Aida I.; Nikitin, Sergei V.; Gordeev, Pavel B.; Smirnov, Gennady A.; Kon’kova, Tatyana S.; Lempert, David B.; Pivkina, Alla N.","Linking polynitro hexaazaisowurtzitane cages via an N,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties","New Journal of Chemistry","2023","47","5","2444","2455","10.1039/D2NJ05332B","","x-ray","1.54184","CuKα","","0.0664","0.0591","","","0.1578","0.1639","","","","","","1.072","","","","has coordinates","281516","2023-03-04","18:32:22",""
"7062217","14.0194","0.001","7.5074","0.0006","35.454","0.003","90","","90","","90","","3731.5","0.5","240","0.1","240","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Br2 N2 O -","- C22 H12 Br2 N2 O -","- C176 H96 Br16 N16 O8 -","8","1","","Zubaş, Andreea; Ghinet, Alina; Shova, Sergiu; Bîcu, Elena","1,3-Dipolar cycloaddition of cycloimmonium salts and 4-(trimethylsilyl)-3-butyn-2-one to access new functionalized indolizines with potential cytostatic activity","New Journal of Chemistry","2023","47","8","3758","3772","10.1039/D2NJ05257A","","x-ray","0.71073","MoKα","","0.1248","0.0618","","","0.0654","0.0807","","","","","","1.063","","","","has coordinates","281501","2023-03-04","18:29:54",""
"7062223","11.6037","0.0005","12.4587","0.0003","22.322","0.0009","90","","90","","90","","3227","0.2","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F6 I N2 P -","- C12 H14 F6 I N2 P -","- C96 H112 F48 I8 N16 P8 -","8","1","","Wilson, Laura M. E.; Rissanen, Kari; Ward, Jas S.","Iodination of antipyrine with [N–I–N]+ and carbonyl hypoiodite iodine(i) complexes","New Journal of Chemistry","2023","47","6","2978","2982","10.1039/D2NJ05349G","","","0.71073","MoKα","","0.0621","0.0404","","","0.1037","0.1222","","","","","","1.126","","","","has coordinates","281526","2023-03-04","18:34:09",""
"7062311","10.6033","0.0011","9.1856","0.0009","30.91","0.003","90","","90","","90","","3010.6","0.5","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl N3 O5 -","- C13 H14 Cl N3 O5 -","- C104 H112 Cl8 N24 O40 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0997","0.065","","","0.1792","0.2044","","","","","","1.046","","","","has coordinates,has disorder","283395","2023-05-05","02:58:19",""
"7062315","15.1546","0.001","13.0529","0.0009","16.4184","0.0011","90","","90","","90","","3247.7","0.4","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C136 H128 N32 O32 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0895","0.0669","","","0.1166","0.1314","","","","","","1.258","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062316","8.241","0.002","17.685","0.005","25.201","0.007","90","","90","","90","","3672.8","1.7","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Cl N3 O4 S -","- C17 H16 Cl N3 O4 S -","- C136 H128 Cl8 N24 O32 S8 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.0753","0.064","","","0.16","0.1666","","","","","","1.087","","","","has coordinates,has disorder","283395","2023-05-05","02:58:24",""
"7062377","7.5563","0.0002","19.9231","0.0004","19.9344","0.0004","90","","90","","90","","3001.02","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 Cu N5 O3 -","- C16 H13 Cu N5 O3 -","- C128 H104 Cu8 N40 O24 -","8","1","","Gurbanov, Atash V.; Mahmoud, Abdallah G.; Aliyeva, Vusala A.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Novel cyano-activated Cu(ii) complexes of arylhydrazones of active methylene nitriles and their catalytic application for azide–alkyne cycloaddition in water and glycerol","New Journal of Chemistry","2023","47","17","7965","7974","10.1039/D3NJ00512G","","","0.71073","MoKα","","0.0309","0.0249","","","0.0659","0.0695","","","","","","1.074","","","","has coordinates","283383","2023-05-05","02:53:44",""
"7062384","17.6247","0.0004","7.6878","0.0002","22.1932","0.0006","90","","90","","90","","3007.07","0.13","170","0.1","170","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C152 H128 N16 O16 -","8","1","","Guo, Hao; Wang, Huahao; Zhao, Hongyi; Zhang, Dongfeng","Visible light-promoted synthesis of 4,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-diones via [3+2] cycloaddition reaction of 2H-azirines with maleimides","New Journal of Chemistry","2023","47","12","5634","5638","10.1039/D2NJ06257G","","x-ray","0.71073","MoKα","","0.0438","0.0393","","","0.1117","0.1147","","","","","","1.067","","","","has coordinates","281951","2023-03-21","01:18:52",""
"7062398","11.6584","0.0003","8.0294","0.0003","36.9894","0.0011","90","","90","","90","","3462.58","0.19","150","0.2","150","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H14 B F7 N2 S -","- C17 H14 B F7 N2 S -","- C136 H112 B8 F56 N16 S8 -","8","1","","James, Richard D.; Cucinotta, Fabio; Waddell, Paul G.; Benniston, Andrew C.","Synthesis, structure and spectroscopic properties of BODIPY dyes incorporating the pentafluorosulfanylphenyl group","New Journal of Chemistry","2023","47","17","8451","8459","10.1039/D3NJ00633F","","x-ray","1.54184","CuKα","","0.0518","0.0387","","","0.0947","0.1032","","","","","","1.032","","","","has coordinates","283377","2023-05-05","02:52:24",""
"7062408","12.6975","0.0007","16.8418","0.001","22.4492","0.0013","90","","90","","90","","4800.7","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Cl2 N2 O6 Zn2 -","- C21 H24 Cl2 N2 O6 Zn2 -","- C168 H192 Cl16 N16 O48 Zn16 -","8","1","","Middya, Puspendu; Karmakar, Mainak; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","The importance of spodium bonds, H-bonds and π-stacking interactions in the solid state structures of four zinc complexes with tetradentate secondary diamine ligands","New Journal of Chemistry","2023","47","19","9346","9363","10.1039/D2NJ05490F","","","0.71073","MoKα","","0.0953","0.0414","","","0.108","0.138","","","","","","1.011","","","","has coordinates","284292","2023-06-05","04:43:01",""
"7062452","8.6431","0.0002","16.2056","0.0003","18.2899","0.0004","90","","90","","90","","2561.8","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cu N6 O2 -","- C13 H10 Cu N6 O2 -","- C104 H80 Cu8 N48 O16 -","8","1","","Ermakova, Ekaterina A.; Golubeva, Yuliya A.; Smirnova, Ksenia S.; Klyushova, Lyubov S.; Berezin, Alexey S.; Fetisov, Leonid N.; Svyatogorova, Alexandra E.; Andros, Natalia O.; Zubenko, Alexander A.; Lider, Elizaveta V.","Cytotoxic mixed-ligand copper(ii) complexes with 1H-tetrazole-5-acetic acid and oligopyridine derivatives","New Journal of Chemistry","2023","47","19","9472","9482","10.1039/D3NJ00568B","","","0.71073","MoKα","","0.1067","0.0929","","","0.1869","0.1932","","","","","","1.161","","","","has coordinates","284291","2023-06-05","04:42:33",""
"7062491","13.096","0.001","10.9779","0.0009","25.673","0.002","90","","90","","90","","3690.9","0.5","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H30 Cl2 N4 O2 Pd2 S2 -","- C42 H30 Cl2 N4 O2 Pd2 S2 -","- C168 H120 Cl8 N16 O8 Pd8 S8 -","4","0.5","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0698","0.0654","","","0.1695","0.1721","","","","","","1.108","","","","has coordinates","284937","2023-07-05","10:33:02",""
"7062492","12.4974","0.0003","11.1274","0.0003","25.9429","0.0008","90","","90","","90","","3607.71","0.17","296","","296","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H11 Cl F2 N2 O Pd S -","- C20 H11 Cl F2 N2 O Pd S -","- C160 H88 Cl8 F16 N16 O8 Pd8 S8 -","8","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0357","0.0299","","","0.0619","0.0643","","","","","","1.154","","","","has coordinates","284937","2023-07-05","10:33:07",""
"7062493","12.996","0.002","10.9433","0.0015","26.809","0.004","90","","90","","90","","3812.8","1","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Cl N2 O2 Pd S -","- C21 H15 Cl N2 O2 Pd S -","- C168 H120 Cl8 N16 O16 Pd8 S8 -","8","1","","Wongsuwan, Sutthida; Chatwichien, Jaruwan; Sirisaksoontorn, Weekit; Chainok, Kittipong; Songsasen, Apisit; Chotima, Ratanon","Novel Pd(ii) pincer complexes bearing salicylaldimine-based benzothiazole derivatives: synthesis, structural characterization, DNA/BSA binding, and biological evaluation","New Journal of Chemistry","2023","47","22","10624","10637","10.1039/D3NJ00458A","","x-ray","0.71073","MoKα","K-L~3~","0.0441","0.037","","","0.0749","0.0771","","","","","","1.236","","","","has coordinates","284937","2023-07-05","10:33:19",""
"7062523","13.2629","0.001","12.0772","0.0009","22.1882","0.0016","90","","90","","90","","3554.1","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C160 H152 N24 O8 S8 -","8","1","","Durga Priyadharshini, R.; Sathishkumar, P. N.; Bensingh, M.; Bhuvanesh, N.; Vennila, K. N.; Karvembu, R.; Elango, Kuppanagounder P.","N,N′,N′′-Trisubstituted guanidine derivatives as DNA-intercalators: synthesis, crystal structures and biophysical investigations","New Journal of Chemistry","2023","47","30","14185","14194","10.1039/D3NJ01327H","","","0.71073","MoKα","","0.0412","0.0328","","","0.0773","0.083","","","","","","1.036","","","","has coordinates","285490","2023-08-05","09:20:12",""
"7062524","15.0645","0.0007","11.7756","0.0005","20.4088","0.0009","90","","90","","90","","3620.4","0.3","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Durga Priyadharshini, R.; Sathishkumar, P. N.; Bensingh, M.; Bhuvanesh, N.; Vennila, K. N.; Karvembu, R.; Elango, Kuppanagounder P.","N,N′,N′′-Trisubstituted guanidine derivatives as DNA-intercalators: synthesis, crystal structures and biophysical investigations","New Journal of Chemistry","2023","47","30","14185","14194","10.1039/D3NJ01327H","","","0.71073","MoKα","","0.0542","0.0399","","","0.0914","0.0987","","","","","","1.035","","","","has coordinates","285490","2023-08-05","09:20:13",""
"7062564","12.757","0.005","15.419","0.006","46.854","0.016","90","","90","","90","","9216","6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Bis(di(8-quinoline)pyridine)]Nickel(II) hexafluorophosphate acetonitrile","","- C50 H36 F12 N8 Ni P2 -","- C50 H36 F12 N8 Ni P2 -","- C400 H288 F96 N64 Ni8 P16 -","8","1","","Sahni, Priya; Gupta, Rahat; Tripathy, Debakanta; Rath, Soumya Lipsa; Pal, Amlan K.","Ni(ii)-polypyridyl complexes as potential DNA binders","New Journal of Chemistry","2023","47","31","14717","14725","10.1039/D3NJ00961K","","","0.71073","MoKα","","0.0555","0.0447","","","0.1139","0.1204","","","","","","1.033","","","","has coordinates","286172","2023-09-05","20:10:16",""
"7062598","8.0625","0.0016","11.849","0.002","17.831","0.004","90","","90","","90","","1703.4","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cd N6 O6 -","- C14 H12 Cd N6 O6 -","- C56 H48 Cd4 N24 O24 -","4","0.5","","Notash, Behrouz; Barzegar Tilenoie, Ommolbanin; Naghavi, S. Shahab","Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study","New Journal of Chemistry","2023","47","32","15209","15218","10.1039/D3NJ01175E","","","0.71073","MoKα","","0.0933","0.0498","","","0.1203","0.1392","","","","","","0.948","","","","has coordinates","286159","2023-09-05","20:07:32",""
"7062750","15.539","0.0014","12.2853","0.0011","17.8374","0.0016","90","","90","","90","","3405.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H46 Cl6 N4 O4 Te -","- C22 H46 Cl6 N4 O4 Te -","- C88 H184 Cl24 N16 O16 Te4 -","4","0.5","","D’Arcy, Kenneth; Schäfer, Tim; De Franco, Michele; Ricco, Raffaele; Gandin, Valentina; Sanz Miguel, Pablo J.; Montagner, Diego","Unusual tellurium(iv) mediated cyclisation diols into dihydroxazoles with potential anticancer activity","New Journal of Chemistry","2023","47","39","18485","18491","10.1039/D3NJ03186A","","","0.71073","MoKα","","0.0284","0.0208","","","0.0506","0.055","","","","","","1.051","","","","has coordinates","287388","2023-11-06","08:02:34",""
"7062766","19.497","0.0003","14.2023","0.0002","32.8171","0.0005","90","","90","","90","","9087.1","0.2","150","0.1","150","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","C51H38Cl2N4O5P2RuS2","","- C51 H38 Cl1.8 N4 O4.2 P2 Ru S2 -","- C51 H38 Cl1.8 N4 O4.2 P2 Ru S2 -","- C408 H304 Cl14.4 N32 O33.6 P16 Ru8 S16 -","8","1","","Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar","Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature","New Journal of Chemistry","2023","47","42","19428","19438","10.1039/D3NJ04221A","","x-ray","0.71073","MoKα","","0.0524","0.041","","","0.0966","0.1026","","","","","","1.065","","","","has coordinates,has disorder","287377","2023-11-06","08:00:15",""
"7062807","14.4989","0.0002","7.0904","0.0001","20.0236","0.0003","90","","90","","90","","2058.49","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H8 F4 N2 O -","- C11 H8 F4 N2 O -","- C88 H64 F32 N16 O8 -","8","1","","Ramkumar, Nagarajan; Plantus, Ketrina; Ozola, Melita; Mishnev, Anatoly; Nikolajeva, Vizma; Senkovs, Maris; Ošeka, Maksim; Veliks, Janis","Photoredox-catalyzed direct C–H monofluoromethylation of heteroarenes","New Journal of Chemistry","2023","47","44","20642","20652","10.1039/D3NJ04313D","","","1.54184","CuKα","","0.039","0.0354","","","0.0986","0.102","","","","","","1.069","","","","has coordinates","288831","2024-01-06","08:42:26",""
"7062891","9.067","0.0012","14.456","0.002","17.232","0.002","90","","90","","90","","2258.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H30 Br6 N2 Pd -","- C12 H30 Br6 N2 Pd -","- C48 H120 Br24 N8 Pd4 -","4","0.5","","Saadi, Mohamed; Dakhlaoui, Imen; Hajlaoui, Fadhel; Drissi, Nidhal; Zighrioui, Mustapha; Jomni, Fethi; Audebrand, Nathalie; Cordier, Marie; Karim, Karoui","Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH3)3N(CH2)3Br]2PdBr4","New Journal of Chemistry","2024","48","1","182","192","10.1039/D3NJ04819E","","","0.71073","MoKα","","0.0459","0.0293","","","0.0573","0.0628","","","","","","1.06","","","","has coordinates","289575","2024-02-04","12:19:02",""
"7062977","17.2325","0.0002","18.0052","0.0002","18.4076","0.0002","90","","90","","90","","5711.41","0.11","294.44","0.13","294.44","0.13","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N12 O2 -","- C30 H32 N12 O2 -","- C240 H256 N96 O16 -","8","1","","Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun","A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism","New Journal of Chemistry","2024","48","8","3467","3471","10.1039/D3NJ04766K","","x-ray","1.54184","CuKα","","0.0488","0.0446","","","0.1121","0.1151","","","","","","1.061","","","","has coordinates","290231","2024-03-04","20:34:47",""
"7062995","4.7694","0.0002","20.4826","0.0012","35.0406","0.0016","90","","90","","90","","3423.1","0.3","100","6","100","6","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H14 I N3 O -","- C19 H14 I N3 O -","- C152 H112 I8 N24 O8 -","8","1","","Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.","Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry","New Journal of Chemistry","2024","48","11","4831","4845","10.1039/D3NJ03823H","","x-ray","1.54184","CuKα","","0.062","0.0519","","","0.1247","0.1296","","","","","","1.091","","","","has coordinates,has disorder","291029","2024-04-05","00:06:13",""
"7063057","14.6133","0.0011","19.1979","0.0013","26.659","0.002","90","","90","","90","","7479","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 F N2 O3 -","- C18 H23 F N2 O3 -","- C288 H368 F16 N32 O48 -","16","2","","Rippel, Rafael; Leitão, Flávia; Georgieva, Miglena K.; Mamede, Rafael; Gomes, Clara S. B.; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Lourenço, Ana; Ferreira, Luísa M.; Branco, Paula S.","Exploring the synthesis of aminal guanidine-based molecules: synthesis of cernumidine and analogues, and survey of its anti-inflammatory activity","New Journal of Chemistry","2024","48","12","5247","5257","10.1039/D3NJ05406C","","x-ray","0.71073","MoKα","","0.1691","0.0916","","","0.228","0.2585","","","","","","1.066","","","","has coordinates","291033","2024-04-05","00:06:48",""
"7063084","9.31509","0.00006","19.69557","0.00013","20.1738","0.00014","90","","90","","90","","3701.21","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8,10-dimethyl-12-(4-nitrophenyl)-7a,8,11a,12-tetrahydro-9H-benzo[5,6]chromeno[2,3-d]pyrimidine-9,11(10H)-dione","","- C23 H17 N3 O5 -","- C23 H17 N3 O5 -","- C184 H136 N24 O40 -","8","1","","Das, Arindam; Dey, Sovan; Yadav, Ram Naresh; Dutta, Prajna; Dhiman, Subham; Boruah, Palash Jyoti; Sarkar, Koushik; Sahu, Abhishek; Jana, Anupam; Paul, Amit Kumar; Hossain, Md. Firoj","Unleashing Naphthopyranopyrimidine's Anticancer Potential: A Deep Eutectic Solvent (DES) Study","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00796D","","x-ray","1.54184","CuKα","","0.0372","0.0361","","","0.0971","0.0982","","","","","","1.056","","","","has coordinates","290472","2024-03-13","01:39:54",""
"7063088","20.1618","0.0005","25.4106","0.0006","28.8931","0.0007","90","","90","","90","","14802.6","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H225 Cu20 N7 O72 -","- C82 H207 Cu20 N7 O72 -","- C328 H828 Cu80 N28 O288 -","4","0.5","","Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.","Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase","New Journal of Chemistry","2024","48","14","6232","6245","10.1039/D3NJ04959K","","x-ray","1.54184","CuKα","","0.0486","0.0432","","","0.124","0.1277","","","","","","1.045","","","","has coordinates,has disorder","291017","2024-04-05","00:04:20",""
"7063172","17.1","0.03","15.16","0.04","22.21","0.04","90","","90","","90","","5758","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H49 B12 N O2 -","- C18 H49 B12 N O2 -","- C144 H392 B96 N8 O16 -","8","1","","Kolbunova, Anastasia V.; Klyukin, Ilya N.; Novikov, Alexander S.; Nelyubin, Alexey V.; Zhdanov, Andrey P.; Kubasov, Alexey S.; Selivanov, Nikita A.; Bykov, Alexander Yu.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Carboxonium derivatives based on closo-dodecaborate anions [1,2-B12H10O2CR]−: synthesis and molecular orbital analysis","New Journal of Chemistry","2024","","","","","10.1039/D4NJ01048E","","","0.71073","MoKα","","0.1093","0.0621","","","0.1461","0.1755","","","","","","1.015","","","","has coordinates,has disorder","291281","2024-04-19","02:32:38",""
"7100016","12.088","0.005","19.348","0.005","48.185","0.005","90","0.005","90","0.005","90","0.005","11269","6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(Ni2(m-H2O)(O2CCMe3)4(HO2CCMe3)4","","","- C40 H78 Ni2 O17 -","- C40 H78 Ni2 O17 -","- C320 H624 Ni16 O136 -","8","1","","R. Winpenny; F. P. Booy; Kirsten Christensen; Finn Larsen; Gopalan Rajaraman; G.A.Timco","Theoretical studies on bi and tetranuclear Ni pivalate complexes","Chemical Communications","2005","","","","","10.1039/b502115d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100042","13.3549","0.0009","14.8313","0.001","19.7845","0.0011","90","","90","","90","","3918.7","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br Fe2 N O6 S2 -","- C15 H10 Br Fe2 N O6 S2 -","- C120 H80 Br8 Fe16 N8 O48 S16 -","8","1","","Wang, Fujun; Wang, Mei; Liu, Xiaoyang; Jin, Kun; Dong, Weibing; Li, Guanghua; Åkermark, Björn; Sun, Licheng","Spectroscopic and crystallographic evidence for the N-protonated Fe^I^Fe^I^ azadithiolate complex related to the active site of Fe-only hydrogenases","Chemical Communications (Cambridge, United Kingdom)","2005","","25","3221","3223","10.1039/b503371c","","","","","","","","","","","","","","","","","","","","","has coordinates","209694","2020-10-21","18:00:00",""
"7100057","25.241","0.003","20.053","0.004","26.004","0.002","90","","90","","90","","13162","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H96 Cl2 O P2 Pd -","- C70 H96 Cl2 O P2 Pd -","- C560 H768 Cl16 O8 P16 Pd8 -","8","1","","P.W.N.M.Van Leeuwen; Maria Caporali; Christian Mueller; Anthony L. Spek; Bastiaan B. P. Staal; D.M. Tooke","New diphosphine ligands based on diphenyl ether for the Pd-catalyzed CO/ethene copolymerization","Chemical Communications","2005","","","","","10.1039/b503764f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100067","15.8771","0.0007","20.0007","0.0007","26.177","0.001","90","","90","","90","","8312.6","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H65 Fe N3 Si2 -","- C41 H65 Fe N3 Si2 -","- C328 H520 Fe8 N24 Si16 -","8","1","","Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch","Square planar bis(imino)pyridine iron halide and alkyl complexes","Chemical Communications","2005","","","","","10.1039/b504063a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100075","17.575","0.003","22.434","0.003","38.629","0.008","90","","90","","90","","15231","5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H58 O4 Ti3 -","- C36 H58 O4 Ti3 -","- C576 H928 O64 Ti48 -","16","2","","","","Chemical Communications","2005","","","","","10.1039/b504467g","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100152","7.8368","0.0004","15.0948","0.0007","20.6056","0.001","90","","90","","90","","2437.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag B F4 N2 O -","- C11 H8 Ag B F4 N2 O -","- C88 H64 Ag8 B8 F32 N16 O8 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100153","7.9427","0.0005","15.0779","0.001","20.8084","0.0014","90","","90","","90","","2492","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag Cl N2 O5 -","- C11 H8 Ag Cl N2 O5 -","- C88 H64 Ag8 Cl8 N16 O40 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100154","7.5654","0.0005","15.1624","0.001","20.531","0.0013","90","","90","","90","","2355.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag N3 O4 -","- C11 H8 Ag N3 O4 -","- C88 H64 Ag8 N24 O32 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100155","7.2786","0.0015","15.972","0.003","21.4","0.004","90","","90","","90","","2487.9","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag Cl N2 O4 -","- C11 H8 Ag Cl N2 O4 -","- C88 H64 Ag8 Cl8 N16 O32 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100156","7.1774","0.0004","15.4432","0.0009","20.6586","0.0011","90","","90","","90","","2289.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Ag N3 O3 -","- C11 H8 Ag N3 O3 -","- C88 H64 Ag8 N24 O24 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100157","7.0155","0.0003","15.5043","0.0007","21.0588","0.001","90","","90","","90","","2290.57","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Ag N2 O3 -","- C12 H9 Ag N2 O3 -","- C96 H72 Ag8 N16 O24 -","8","1","","T. C. W. Mak; Xu-Dong Chen","Order of coordinating ability of polyatomic monoanions established from their interaction with a disilver(I) metallacyclophane skeleton","Chemical Communications","2005","","","","","10.1039/b505919d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100254","8.2299","0.0006","9.3483","0.0007","17.8999","0.0014","90","","90","","90","","1377.14","0.18","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(Co(C5N6H3)2)","","","- C10 H6 Co N12 -","- C10 H6 Co N12 -","- C40 H24 Co4 N48 -","4","0.5","","E. Colacio; Raikko Kivekas; Antonio Rodriguez","Unique Self-Assembled 2D Metal-Tetrazolate networks: Crystal Structure and Magnetic Properties of [M(pmtz)2] (M=Co(II) and Fe(II); Hpmzt=5 (pyrimidyl)tetrazole)","Chemical Communications","2005","","","","","10.1039/b509069e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100255","8.0193","0.0005","8.7837","0.0005","18.0385","0.0011","90","","90","","90","","1270.62","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Fe(C5N6H3)2]","","","- C10 H6 Fe N12 -","- C10 H6 Fe N12 -","- C40 H24 Fe4 N48 -","4","0.5","","E. Colacio; Raikko Kivekas; Antonio Rodriguez","Unique Self-Assembled 2D Metal-Tetrazolate networks: Crystal Structure and Magnetic Properties of [M(pmtz)2] (M=Co(II) and Fe(II); Hpmzt=5 (pyrimidyl)tetrazole)","Chemical Communications","2005","","","","","10.1039/b509069e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100294","8.969","0.002","17.068","0.003","19.951","0.004","90","","90","","90","","3054.2","1.1","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H36 Cu2 N4 O4 -","- C32 H36 Cu2 N4 O4 -","- C128 H144 Cu8 N16 O16 -","4","0.5","","Guillem Aromi; Tamoghna Mitra; Juan Novoa; Alok Ranjan Paital; Debashis Ray; Joan Ribas; J.Ribas-Arino; Wing-tak Wong","Substituted m-Phenylene Bridges as Strong Ferrocouplers for CuII-bridge-CuII Magnetic Interactions: New Perspectives","Chemical Communications","2005","","","","","10.1039/b510074g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100324","18.76","0.003","19.969","0.003","36.601","0.006","90","","90","","90","","13711","4","175","2","175","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C76 H120 O4 -","- C76 H120 O4 -","- C608 H960 O32 -","8","1","","Anthony Coleman; Srinivasan S. Kuduva; Patrick Shahgaldian; Michael J. Zaworotko","Amphiphilic Behavior of an Apparently Non-polar Calix-arene","Chemical Communications","2005","","","","","10.1039/b412925n","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100391","5.934","0.007","10.242","0.005","16.436","0.003","90","","90","","90","","998.9","1.3","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N O -","- C4 H7 N O -","- C32 H56 N8 O8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b418869a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100393","5.72","0.0004","10.16","0.0005","16.241","0.0007","90","","90","","90","","943.85","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N O -","- C4 H7 N O -","- C32 H56 N8 O8 -","8","1","","","","Chemical Communications","2005","","","","","10.1039/b418869a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100395","16.7547","0.0001","20.0887","0.0001","25.9733","0.0003","90","","90","","90","","8742.1","0.1","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Pt2(mu–kappaP:eta2- P(tBu)2–CC–Ph)(mu,eta2–C(Ph)CH2)(CO)(P(tBu)2H))(PF6)","","","- C37 H59 F6 O3 P3 Pt2 -","- C37 H59 F6 O3 P3 Pt2 -","- C296 H472 F48 O24 P24 Pt16 -","8","1","","A. Albinati; Valeria Filippi; Piero Leoni; Lorella Marchetti; Marco Pasquali; V. Passarelli","Unprecedented Reversible Coupling of Alkynyl and Phosphide ligands on a Dinuclear Platinum Framework","Chemical Communications","2005","","","","","10.1039/b418893d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100414","21.124","0.01","22.856","0.011","38.962","0.019","90","","90","","90","","18811","16","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H70 F3 N3 O3 S Ti -","- C48 H70 F3 N3 O3 S Ti -","- C768 H1120 F48 N48 O48 S16 Ti16 -","16","2","","Daniel Mindiola; Brad C. Bailey; Falguni Basuli; Doug Brown; Rodney L. Clark; John C. Huffman","Latent low-coordinate titanium imides supported by a sterically encumbering beta-diketiminate ligand","Chemical Communications","2005","","","","","10.1039/b500350d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100495","7.4742","0.0011","5.9733","0.0008","53.194","0.007","90","","90","","90","","2374.9","0.6","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-(4-Methoxyphenoxy)benzoic acid","","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100500","27.516","0.012","14.904","0.007","5.724","0.003","90","","90","","90","","2347.4","1.8","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4,4'dicarboxylicdiphenyl ether","","","- C14 H10 O5 -","- C14 H10 O5 -","- C112 H80 O40 -","8","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100607","13.916","0.003","15.097","0.003","16.116","0.003","90","","90","","90","","3385.9","1.2","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ba2 Ge H18 O9 Se4 -","- Ba2 Ge H18 O9 Se4 -","- Ba16 Ge8 H144 O72 Se32 -","8","1","","Stefanie Dehnen; Rodolphe Clerac; Maike Melullis","Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units","Chemical Communications","2005","","","","","10.1039/b513305j","","","","","","","","","","","","","","","","","","","","","has coordinates","189180","2020-10-21","18:00:00",""
"7100617","16.048","0.003","13.798","0.003","16.47","0.003","90","","90","","90","","3646.9","1.3","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl N5 O3 Ru -","- C16 H20 Cl N5 O3 Ru -","- C128 H160 Cl8 N40 O24 Ru8 -","8","1","","Perez, Julio; Laura Ion; Richard A. Kowenicki; M. McPartlin; Dolores Morales; Lucia Riera; V. Riera","ruthenium biimidazole complexes as anion receptors","Chemical Communications","2006","","","","","10.1039/b510016j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100627","13.6274","0.0009","10.036","0.0007","28.5576","0.0019","90","","90","","90","","3905.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Co3 O10 -","- C16 H22 Co3 O10 -","- C128 H176 Co24 O80 -","8","1","","Yan-Zhen Zheng; Ming-Liang Tong; Wei-Xiong Zhang; Xiao-Ming Chen","An Organically Sandwiched Cobalt Hydroxide Possessing a Distorted Kagom/'e Lattice: Evidence for coexistence of Spin Frustration and Long range ordering","Chemical Communications","2006","","","","","10.1039/b511612k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100635","21.3832","0.0018","14.9241","0.0013","24.177","0.002","90","","90","","90","","7715.5","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H39 B N6 O S2 Zn -","- C42 H39 B N6 O S2 Zn -","- C336 H312 B8 N48 O8 S16 Zn8 -","8","1","","P.J.Farmer; D.Brayton; S.M.Cohen; F.E.Jacobsen","A novel heterocyclic atom exchange reaction with Lawessons reagent: one-pot synthesis of dithiomaltol","Chemical Communications","2006","","","","","10.1039/b511966a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100669","11.592","0.002","14.568","0.003","16.342","0.003","90","","90","","90","","2759.7","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","Shengming Ma.; Youqian Deng.; Zhenhua Gu.","From Allene to Allene: A Palladium-Catalyzed Approach to b-Allenyl Butenolides and Their Application to the Synthesis of Polysubstituted Benzene Derivatives","Chemical Communications","2006","","","","","10.1039/b513371h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100681","6.9153","0.0004","13.1212","0.0007","18.9869","0.001","90","","90","","90","","1722.82","0.16","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","potassium 4-nitrophenyl sulfate","","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100857","16.221","0.0011","6.5971","0.0005","27.0692","0.0019","90","","90","","90","","2896.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydrate of 1:1 complex of barbituric acid and bipyridine-bis- N-oxide","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100861","12.94","0.003","7.3496","0.0019","13.087","0.003","90","","90","","90","","1244.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pyridine-2-carboxamide-N-oxide","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C48 H48 N16 O16 -","8","1","","A. Nangia; N. Jagadeesh Babu; L. Sreenivas Reddy","Carboxamide pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals","Chemical Communications","2006","","","","","10.1039/b515510j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100918","9.663","0.003","14.7448","0.0017","16.435","0.003","90","","90","","90","","2341.6","0.8","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H4 Br F6 I O -","- C9 H4 Br F6 I O -","- C72 H32 Br8 F48 I8 O8 -","8","1","","C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White","Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents","Chemical Communications","2006","","","","","10.1039/b600455e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100961","18.133","0.005","24.621","0.005","37.774","0.005","90","","90","","90","","16864","6","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl4 F N3 O4 -","- C44 H50 Cl4 F N3 O4 -","- C704 H800 Cl64 F16 N48 O64 -","16","2","","Philip Gale; Simon J. Brooks; Louise S. Evans; Michael B. Hursthouse; Mark E. Light","'Twisted' isophthalamide analogues","Chemical Communications","2005","","","","","10.1039/b413654c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100984","17.343","0.003","16.989","0.002","27.436","0.004","90","","90","","90","","8084","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H50 Fe N5 O2 -","- C46 H50 Fe N5 O2 -","- C368 H400 Fe8 N40 O16 -","8","1","","Danopoulos, Andreas A.; Wright, Joseph A.; Motherwell, Willam B.","Molecular N2 complexes of iron stabilised by N-heterocyclic 'pincer' dicarbene ligands","Chemical Communications","2005","","","","","10.1039/b415562a","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101019","8.4474","0.0006","13.9712","0.001","40.105","0.003","90","","90","","90","","4733.2","0.6","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[PhClBTMe][OTf]","","","- C21 H13 Cl F3 N5 O3 S3 -","- C21 H13 Cl F3 N5 O3 S3 -","- C168 H104 Cl8 F24 N40 O24 S24 -","8","1","","Richard Oakley; Leanne Beer; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson; Donald G. VanderVeer","Resonance stabilized bis-thiadiazinyl radicals","Chemical Communications","2005","","","","","10.1039/b417236a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101023","15.0448","0.0007","15.9323","0.0008","17.13","0.0008","90","","90","","90","","4106","0.3","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N6 -","- C24 H20 N6 -","- C192 H160 N48 -","8","1","","Francois Diederich; Ivan Biaggio; Corinne Boudon; Jean-Paul Gisselbrecht; Maurice Gross; J.H. Lim; Joshua C. May; Tsuyoshi Michinobu; Paul Seiler","A new class of organic donor-acceptor molecules with large third-order optical nonlinearities","Chemical Communications","2005","","","","","10.1039/b417393g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101040","13.9666","0.0008","15.9302","0.0009","16.6479","0.0009","90","","90","","90","","3704","0.4","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N4 Ni3 O16 -","- C34 H34 N4 Ni3 O16 -","- C136 H136 N16 Ni12 O64 -","4","0.5","","R. Morris; Zhuojia Lin; David S. Wragg","Microwave-assisted Synthesis of Anionic Metal-Organic Frameworks under Ionothermal Conditions","Chemical Communications","2006","","","","","10.1039/b600814c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101055","8.0828","0.0003","18.1324","0.0005","22.083","0.0007","90","","90","","90","","3236.5","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C144 H168 N8 O24 S8 -","8","1","","Varinder Aggarwal; Christoforos G. Kokotos","Hemi-aminals as substrates for sulfur ylides: Direct asymmetric syntheses of functionalised pyrrolidines and piperidines","Chemical Communications","2006","","","","","10.1039/b602226j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7101139","15.1229","0.0017","17.561","0.002","19.738","0.002","90","","90","","90","","5241.8","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Fe N P3 -","- C26 H38 Fe N P3 -","- C208 H304 Fe8 N8 P24 -","8","1","","Hans-Friedrich Klein; Robert Beck; Sebnem Camadanli; Ulrich Florke","Meridional Bicyclometalation with Iron: a Novel Way of Forming Dianionic [C,N,C]-Ligands","Chemical Communications","2005","","3","","","10.1039/b413409e","","","0.71073","MoKα","","0.0503","0.0334","","","0.0852","0.0932","","","","","","1.011","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101154","19.2023","0.0005","34.9478","0.0009","12.2308","0.0002","90","","90","","90","","8207.8","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H44 Cl2 N6 Ni O12 -","- C38 H44 Cl2 N6 Ni O12 -","- C304 H352 Cl16 N48 Ni8 O96 -","8","1","","Lisa Berreau; Atta M. Arif; Magdalena M. Makowska-Grzyska; Katarzyna Rudzka; Ewa Szajna","Neutral acetohydroxamic acid coordination to a mononuclear Ni(II) center stabilized by a intramolecular hydrogen-bonding interaction","Chemical Communications","2005","","4","","","10.1039/b413683g","","","0.71073","MoKα","","0.0962","0.0555","","","0.1229","0.144","","","","","","1.021","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101194","13.3813","0.0003","15.6376","0.0003","20.5571","0.0005","90","","90","","90","","4301.6","0.16","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H28 N2 Ni O2 -","- C23 H28 N2 Ni O2 -","- C184 H224 N16 Ni8 O16 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.0677","0.038","","","0.0828","0.0926","","","","","","1.011","","","","has coordinates","180113","2020-10-21","18:00:00",""
"7101201","19.031","0.0005","16.9081","0.0004","23.1607","0.0007","90","","90","","90","","7452.6","0.3","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H40 N Ni O2 P3 -","- C42 H40 N Ni O2 P3 -","- C336 H320 N8 Ni8 O16 P24 -","8","1","","Dirk Walther; Reinald Fischer; Helmar Gorls; Jens Langer; Astrid Malassa; Gavin Vaughan","A Key Step of the Formation of Acrylic Acid from CO~2~ and Ethylene: The Transformation of a Nickelalactone into a Nickel-acrylate Complex","Chemical Communications","2006","","23","","","10.1039/b603540j","","","0.71073","MoKα","","0.1271","0.0622","","","0.1266","0.156","","","","","","1.037","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7101272","13.1128","0.0002","23.9042","0.0005","10.194","0.0002","90","","90","","90","","3195.32","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,3',4,4',5,5',6,6',7,7',8,8'-dodecafluoro-1,1'-binaphthyl","","","- C20 H2 F12 -","- C20 H2 F12 -","- C160 H16 F96 -","8","1","","W.Piers; Robert McDonald; Darryl J. Morrison; Masood Parvez; Susanne D. Riegel","2,2'-Disubstituted F12Binaphthyl Derivatives: Stannanes, Boranes, and (R)-F12BINOL","Chemical Communications","2006","","27","","","10.1039/b605716k","","","0.71069","MoKα","","0.0649","0.0407","","","0.1084","0.1298","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101435","18.504","0.001","19.606","0.001","45.288","0.001","90","","90","","90","","16430","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H66 N8 O4 Zn5 -","- C24 H66 N8 O4 Zn5 -","- C384 H1056 N128 O64 Zn80 -","16","2","","Norbert Mitzel; Raphael J. F. Berger; Roland Frohlich; Surajit Jana","First mixed hydrazide/hydroxylamide metal aggregates - fine tuning the N:O content of zinc compounds","Chemical Communications","2006","","38","","","10.1039/b608135e","","","0.71073","MoKα","","0.1335","0.0548","","","0.0878","0.1055","","","","","","1.011","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101549","20.989","0.003","19.577","0.003","29.775","0.004","90","","90","","90","","12235","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H76 O22 Rh2 -","- C60 H76 O22 Rh2 -","- C480 H608 O176 Rh16 -","8","1","","J.Du Bois; B.H.Brodsky","Entrapment of a Dirhodium Tetracarboxylate Unit Inside the Aromatic Bowl of a Calix[4]arene: Unique Catalysts for C-H Amination","Chemical Communications","2006","","45","","","10.1039/b611280c","","","0.71073","MoKα","","0.1255","0.0903","","","0.1882","0.2045","","","","","","1.26","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101576","9.6278","0.0005","20.9561","0.0011","28.0324","0.0014","90","","90","","90","","5655.8","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1-bis(4-Hydroxyphenyl)cyclohexane","1,1-bis(4-Hydroxyphenyl)cyclohexane","","- C18 H20 O2 -","- C18 H20 O2 -","- C288 H320 O32 -","16","2","","A.Nangia; S.Roy; B.Sarma","Polymorphs of 1,1-bis(4-hydroxyphenyl)cyclohexane and multiple Z' structures by melt and sublimation crystallization","Chemical Communications","2006","","47","","","10.1039/b610323e","","","0.71073","MoKα","","0.0715","0.0582","","","0.1164","0.1217","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101586","18.875","0.002","10.6604","0.001","28.891","0.003","90","","90","","90","","5813.3","1","115","","115","","","","","","","","local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C23 H43 B10 N Si -","- C23 H43 B10 N Si -","- C184 H344 B80 N8 Si8 -","8","1","","Graca Vicente; Frank R. Fronczek; Erhong Hao.","Carborane functionalized pyrroles and porphyrins via the Suzuki cross-coupling reaction","Chemical Communications","2006","","47","","","10.1039/b611571c","","","0.71073","MoKα","","0.104","0.057","","","0.126","0.146","","","","","","1.022","","","","has coordinates,has disorder","277870","2022-09-15","11:09:07",""
"7101606","15.0482","0.0016","16.1047","0.0016","32.609","0.004","90","","90","","90","","7902.7","1.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C352 H416 N32 O48 -","16","2","","R.E.Grigg; V.Sridharana; A.M.Derrick; A.Keep; C.Kilner; Christian Lofberg","Sequential One-Pot Bimetallic Ir(III) / Pd(0) Catalysed Mono- / Bis-Alkylation and Spirocyclisation Processes of 1,3-Dimethylbarbituric Acid and Allenes","Chemical Communications","2006","","48","","","10.1039/b614098j","","","0.71073","MoKα","","0.0824","0.0434","","","0.0921","0.1138","","","","","","1.038","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101629","7.83","0.001","21.154","0.002","22.289","0.003","90","","90","","90","","3691.9","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N4 -","- C21 H20 N4 -","- C168 H160 N32 -","8","1","","Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G","Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions.","Chemical communications (Cambridge, England)","2006","","2","126","128","10.1039/b609365e","","","0.71073","MoKα","","0.1413","0.0576","","","0.1341","0.1788","","","","","","1.004","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101683","15.6334","0.0002","18.3691","0.0003","23.607","0.0003","90","","90","","90","","6779.26","0.16","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound X","","","- C30.5 H25 Au Bi Cl F10 N2 -","- C30.5 H25 Au Bi Cl F10 N2 -","- C244 H200 Au8 Bi8 Cl8 F80 N16 -","8","1","","Fernández, Eduardo J; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Nema, Mihai; Olmos, M Elena; Pérez, Javier; Silvestru, Cristian","Experimental and theoretical evidence of the first Au(i)...Bi(iii) interaction.","Chemical communications (Cambridge, England)","2007","","6","571","573","10.1039/b613365g","","","0.71073","MoKα","","0.1023","0.0477","","","0.0933","0.1097","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7101753","16.0817","0.0016","22.922","0.003","18.5487","0.0015","90","","90","","90","","6837.4","1.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H53 Ga O Sr -","- C34 H53 Ga O Sr -","- C272 H424 Ga8 O8 Sr8 -","8","1","","Wiecko, Michal; Roesky, Peter W; Nava, Paola; Ahlrichs, Reinhart; Konchenko, Sergey N","Gallium(I)-alkaline earth metal donor-acceptor bonds.","Chemical communications (Cambridge, England)","2007","","9","927","929","10.1039/b614165j","","","0.71073","MoKα","","0.0754","0.0474","","","0.0952","0.1051","","","","","","1.006","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101862","10.2048","0.001","15.5662","0.0015","17.4159","0.0017","90","","90","","90","","2766.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C128 H112 N32 -","8","1","","Wang, Yaobing; Fu, Hongbing; Peng, Aidong; Zhao, Yongsheng; Ma, Jinshi; Ma, Ying; Yao, Jiannian","Distinct nanostructures from isomeric molecules of bis(iminopyrrole) benzenes: effects of molecular structures on nanostructural morphologies.","Chemical communications (Cambridge, England)","2007","","16","1623","1625","10.1039/b701327b","","","0.71073","MoKα","","0.0571","0.0369","","","0.0914","0.0999","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101897","10.861","0.002","19.288","0.004","28.695","0.006","90","","90","","90","","6011","2","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis-(1,3-di(isopropyl)imidazol-2-ylidene- )(Phenylthiooxyl)(phenyl)nickel(ii)","Bis-{1,3-di(isopropyl)imidazol-2-ylidene-}(Phenylthiooxyl)(phenyl)nickel(II)","","- C30 H42 N4 Ni O S -","- C30 H42 N4 Ni O S -","- C240 H336 N32 Ni8 O8 S8 -","8","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Unusual nickel-mediated C‒S cleavage of alkyl and aryl sulfoxides","Chemical Communications (Cambridge, United Kingdom)","2007","","20","2037","2039","10.1039/b618632g","","","0.71073","MoKα","","0.0816","0.0645","","","0.1696","0.2007","","","","","","1.255","","","","has coordinates","210514","2020-10-21","18:00:00",""
"7101975","19.1742","0.001","19.4623","0.0009","19.9819","0.0012","90","","90","","90","","7456.7","0.7","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H68 Al Li O8 -","- C32 H68 Al Li O8 -","- C256 H544 Al8 Li8 O64 -","8","1","","García-Álvarez, Joaquín; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.","Lewis base stabilized lithium TMP-aluminates: an unexpected fragmentation and capture reaction involving cyclic ether 1,4-dioxane","Chemical Communications (Cambridge, United Kingdom)","2007","","23","2402","2404","10.1039/b700785j","","","0.71073","MoKα","","0.1021","0.0666","","","0.1311","0.1501","","","","","","1.177","","","","has coordinates","209745","2020-10-21","18:00:00",""
"7102031","16.2729","0.0006","21.7473","0.0006","22.4638","0.0007","90","","90","","90","","7949.8","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H124 Cl6 Li2 N12 O4 U2 -","- C68 H124 Cl6 Li2 N12 O4 U2 -","- C272 H496 Cl24 Li8 N48 O16 U8 -","4","0.5","","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","The first urea azine molecule and its coordination to uranium in the first actinide guanidinate complexes.","Chemical communications (Cambridge, England)","2007","","27","2832","2834","10.1039/b705224c","","","0.71073","MoKα","","0.0541","0.0307","","","0.0558","0.0601","","","","","","1.019","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102083","34.218","0.006","11.2574","0.0019","8.8953","0.0015","90","","90","","90","","3426.5","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H32 O4 S4 -","- C42 H32 O4 S4 -","- C168 H128 O16 S16 -","4","0.5","","Colquhoun, Howard M.; Paoloni, Francois P. V.; Drew, Michael G. B.; Hodge, Philip","Dithioacetalisation of PEEK: a general technique for the solubilisation and characterisation of semi-crystalline aromatic polyketones","Chemical Communications (Cambridge, United Kingdom)","2007","","32","3365","3367","10.1039/b708116b","","","0.71073","MoKα","","0.2002","0.0931","","","0.2383","0.2881","","","","","","0.792","","","","has coordinates","210652","2020-10-21","18:00:00",""
"7102242","9.6205","0.0003","13.8569","0.0005","16.7988","0.0006","90","","90","","90","","2239.45","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C104 H136 O8 -","4","0.5","","Spikes, Geoffrey H; Bill, Eckhard; Weyhermüller, Thomas; Wieghardt, Karl","Unusual mixed valent FeIIIFeII complex (St = 3/2) stabilised by a reduced bulky 1,2-diketone.","Chemical communications (Cambridge, England)","2007","","42","4339","4341","10.1039/b713062g","","","0.71073","MoKα","","0.0579","0.0426","","","0.101","0.1065","","","","","","1.037","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102282","17.2319","0.0005","16.5102","0.0003","17.688","0.0005","90","","90","","90","","5032.3","0.2","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C72 F36 -","- C72 F35.982 -","- C288 F143.928 -","4","0.5","","Omelyanyuk, Nadezhda A; Goryunkov, Alexey A; Tamm, Nadezhda B; Avdoshenko, Stanislav M; Ioffe, Ilya N; Sidorov, Lev N; Kemnitz, Erhard; Troyanov, Sergey I","New trifluoromethylated derivatives of [60]fullerene, C60(CF3)n with n = 12 and 14.","Chemical communications (Cambridge, England)","2007","","45","4794","4796","10.1039/b709684d","","","0.905","synchrotron","","0.1047","0.0952","","","0.2133","0.2316","","","","","","1.238","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102286","18.381","0.002","15.4611","0.0017","19.772","0.002","90","","90","","90","","5619","1.1","151","2","151","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H51 Mn N3 P2 Si -","- C22 H44 Mn N3 P2 Si -","- C176 H352 Mn8 N24 P16 Si8 -","8","1","","Chomitz, Wayne A; Arnold, John","Transition metal dinitrogen complexes supported by a versatile monoanionic [N2P2] ligand.","Chemical communications (Cambridge, England)","2007","","45","4797","4799","10.1039/b709763h","","","0.71073","MoKα","","0.0907","0.0534","","","0.1263","0.1382","","","","","","1.19","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102293","16.8238","0.0005","6.9549","0.0002","42.3258","0.0014","90","","90","","90","","4952.5","0.3","90","0.2","90","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H30 O4 -","- C34 H30 O4 -","- C272 H240 O32 -","8","1","","Anthony, John E; Gierschner, Johannes; Landis, Chad A; Parkin, Sean R; Sherman, Jes B; Bakus Ii, Ronald C","A new functionalization strategy for pentacene.","Chemical communications (Cambridge, England)","2007","","45","4746","4748","10.1039/b711296c","","","1.54178","CuKα","","0.0824","0.0648","","","0.1514","0.1639","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102315","13.9108","0.0005","7.1936","0.0003","15.6965","0.0006","90","","90","","90","","1570.73","0.11","298","","298","","","","","","","","R. Forgan","4","P b c a","-P 2ac 2ab","61","3-Methoxysalicylaldoxime","3-Methoxysalicylaldoxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Forgan, Ross S.; Wood, Peter A.; Campbell, John; Henderson, David K.; McAllister, Fiona E.; Parsons, Simon; Pidcock, Elna; Swart, Ronald M.; Tasker, Peter A.","Supramolecular chemistry in metal recovery; H-bond buttressing to tune extractant strength","Chemical Communications (Cambridge, United Kingdom)","2007","","46","4940","4942","10.1039/b712278k","","","0.71073","MoKα","","0.081","0.0296","","0.1256","0.0746","0.1256","","","","","","1.1328","","","","has coordinates","209675","2020-10-21","18:00:00",""
"7102344","21.858","0.005","12.108","0.003","24.59","0.004","90","","90","","90","","6508","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H37 N3 O4 S Sn -","- C32 H37 N3 O4 S Sn -","- C256 H296 N24 O32 S8 Sn8 -","8","1","","Kim, Sang-Hoon; Oh, Seung-Ju; Kim, Yurim; Yu, Chan-Mo","A diastereoselective carbocyclisation of allene-hydrazones through the intramolecular allylic transfer reaction.","Chemical communications (Cambridge, England)","2007","","47","5025","5027","10.1039/b712856h","","","0.71073","MoKα","","0.2761","0.0916","","","0.1749","0.2509","","","","","","0.959","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102361","10.9385","0.0003","19.5849","0.0005","32.2466","0.0008","90","","90","","90","","6908.2","0.3","100","2","100","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","Potassium 4-Cl-2,6-Dimethylphenoxide Dioxane","","","- C15 H22 Cl K O4.5 -","- C15 H22 Cl K O4.5 -","- C240 H352 Cl16 K16 O72 -","16","2","","Morris, J Jacob; Noll, Bruce C; Henderson, Kenneth W","High-connectivity networks: characterization of the first uninodal 9-connected net and two topologically novel 7-connected nets.","Chemical communications (Cambridge, England)","2007","","48","5191","5193","10.1039/b711668c","","x-ray","0.71073","MoKα","","0.0555","0.0479","","","0.1086","0.1123","","","","","","1.151","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7102363","11.324","0.002","19.659","0.004","32.308","0.007","90","","90","","90","","7192","2","100","2","100","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","Rubidium 4-Cl-2,6-Dimethylphenoxide Dioxane","","","- C30 H44 Cl2 O9 Rb2 -","- C30 H44 Cl2 O9 Rb2 -","- C240 H352 Cl16 O72 Rb16 -","8","1","","Morris, J Jacob; Noll, Bruce C; Henderson, Kenneth W","High-connectivity networks: characterization of the first uninodal 9-connected net and two topologically novel 7-connected nets.","Chemical communications (Cambridge, England)","2007","","48","5191","5193","10.1039/b711668c","","x-ray","0.71073","MoKα","","0.0765","0.0561","","","0.1269","0.1356","","","","","","1.129","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102391","10.587","0.003","25.273","0.006","39.355","0.007","90","","90","","90","","10530","4","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cu2 N10 O10 -","- C48 H70 Cu2 N10 O10 -","- C384 H560 Cu16 N80 O80 -","8","1","","Saha, Manas K; Bernal, Ivan; Fronczek, Frank R","Novel ambient light induced trimerization of a simple copper(II) monomeric Schiff base complex.","Chemical communications (Cambridge, England)","2004","","1","84","85","10.1039/b310764g","","x-ray","0.71073","MoKα","","0.1688","0.0603","","","0.1369","0.1993","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102394","13.5362","0.0002","18.8739","0.0002","41.3548","0.0007","90","","90","","90","","10565.4","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H66 Cl2 N10 O6 S2 -","- C47 H66 Cl2 N10 O6 S2 -","- C376 H528 Cl16 N80 O48 S16 -","8","1","","Odriozola, Ibon; Kyritsakas, Nathalie; Lehn, Jean-Marie","Structural codons: linearity/helicity interconversion by pyridine/pyrimidine exchange in molecular strands.","Chemical communications (Cambridge, England)","2004","","1","62","63","10.1039/b311045a","","","0.71073","Mo-Kα","","0.201","0.086","","0.29","","0.103","","","1.499","","","1.057","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102410","14.497","0.003","29.039","0.006","33.189","0.007","90","","90","","90","","13972","5","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","Pd-macrocycle-barbiturate complex","","","- C72 H59.6 Cl6 I N8 O7.3 P2 Pd -","- C72 H58 Cl6 I N8 O7.3 P2 Pd -","- C576 H464 Cl48 I8 N64 O58.4 P16 Pd8 -","8","1","","Larsen, Jens; Rasmussen, Brian S.; Hazell, Rita G.; Skrydstrup, Troels","Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies.","Chemical communications (Cambridge, England)","2004","","2","202","203","10.1039/b309863j","","","0.71073","MoKα","","","0.133","","","","0.158","","","","","","1.62","","","","has coordinates","193994","2020-10-21","18:00:00",""
"7102421","10.7857","0.0002","17.2422","0.0004","20.1713","0.0005","90","","90","","90","","3751.24","0.15","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Fe2 N14 O2 Se2 -","- C34 H26 Fe2 N14 O2 Se2 -","- C136 H104 Fe8 N56 O8 Se8 -","4","0.5","","Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D","Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.","Chemical communications (Cambridge, England)","2004","","2","156","157","10.1039/b311818e","","","0.71073","MoKα","","0.1262","0.0687","","","0.1887","0.2367","","","","","","1.16","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102422","10.7857","0.0006","17.249","0.0017","20.137","0.0015","90","","90","","90","","3746.3","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Fe(mu-PyPz)(PyPzH)(NCSe))2.2H2O","","","- C34 H26 Fe2 N14 O2 Se2 -","- C34 H26 Fe2 N14 O2 Se2 -","- C136 H104 Fe8 N56 O8 Se8 -","4","0.5","","Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D","Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.","Chemical communications (Cambridge, England)","2004","","2","156","157","10.1039/b311818e","","","0.71073","MoKα","","0.2082","0.1112","","","0.2654","0.3453","","","","","","1.114","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102423","11.0548","0.0003","17.3638","0.0006","20.6543","0.0008","90","","90","","90","","3964.7","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Fe(mu-PyPz)(PyPzH)(NCSe))2.2H2O","","","- C34 H26 Fe2 N14 O2 Se2 -","- C34 H26 Fe2 N14 O2 Se2 -","- C136 H104 Fe8 N56 O8 Se8 -","4","0.5","","Leita, Ben A; Moubaraki, Boujemaa; Murray, Keith S; Smith, Jonathan P; Cashion, John D","Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.","Chemical communications (Cambridge, England)","2004","","2","156","157","10.1039/b311818e","","","0.71073","MoKα","","0.2346","0.1058","","","0.2763","0.3639","","","","","","1.091","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102457","9.9608","0.0018","14.688","0.003","14.925","0.003","90","","90","","90","","2183.7","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 Co O6 -","- C4 H7.68 Co O6 -","- C48 H92.16 Co12 O72 -","12","1.5","","Forster, Paul M; Burbank, Andrea R; Livage, Carine; Férey, Gérard; Cheetham, Anthony K","The role of temperature in the synthesis of hybrid inorganic-organic materials: the example of cobalt succinates.","Chemical communications (Cambridge, England)","2004","","4","368","369","10.1039/b311156c","","","0.71073","MoKα","","0.0379","0.0307","","","0.0792","0.0837","","","","","","0.833","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102529","7.3015","0.0001","18.5002","0.0003","31.4241","0.0005","90","","90","","90","","4244.74","0.11","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Triphenyl-phosphabarrelen (4a)","Triphenyl-phosphabarrelen (4a)","","- C29 H21 P -","- C29 H21 P -","- C232 H168 P8 -","8","1","","Breit, Bernhard; Fuchs, Evelyn","Phosphabarrelene-rhodium complexes as highly active catalysts for isomerization free hydroformylation of internal alkenes.","Chemical communications (Cambridge, England)","2004","","6","694","695","10.1039/b315709a","","","0.71073","MoKα","","0.082","0.044","","","0.103","0.116","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102538","14.955","0.003","13.659","0.003","19.433","0.004","90","","90","","90","","3969.4","1.4","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","Cis-1,5-dichloro-9,10-diethynyl-9,10-dihydroxy-9,10-dihydroanthracene","","- C22 H21 Cl2 N O2 -","- C22 H21 Cl2 N O2 -","- C176 H168 Cl16 N8 O16 -","8","1","","Mondal, Raju; Howard, Judith A K; Banerjee, Rahul; Desiraju, Gautam R","Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism?","Chemical communications (Cambridge, England)","2004","","6","644","645","10.1039/b316270b","","","0.71073","MoKα","","0.0923","0.0656","","","0.123","0.1315","","","","","","1.161","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102547","7.224","0.003","14.064","0.006","32.806","0.011","90","","90","","90","","3333","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O3 S -","- C15.993 H22.993 N O2.998 S0.999 -","- C127.944 H183.944 N8 O23.984 S7.992 -","8","1","","Armstrong, Alan; Cumming, Graham R; Pike, Kurt","Aminative rearrangement of 2-alkoxy-3,4-dihydro-2H-pyrans: a novel stereocontrolled route to substituted pyrrolidines.","Chemical communications (Cambridge, England)","2004","","7","812","813","10.1039/b316554j","","","1.54178","CuKα","","0.0937","0.072","","","0.1668","0.1755","","","","","","1.346","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102553","23.43","0.01","23.594","0.011","22.051","0.009","90","","90","","90","","12190","9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H75 Mo O4 P2 S4 Ti -","- C64 H72 Mo O4 P2 S4 Ti -","- C512 H576 Mo8 O32 P16 S32 Ti8 -","8","1","","Takemoto, Shin; Tanaka, Shinpei; Mizobe, Yasushi; Hidai, Masanobu","Ti-Mo heterobimetallic thiacalix[4]arene complex containing an unusual alpha-agostic micro2-eta5:eta2-cyclopentadienyl ligand.","Chemical communications (Cambridge, England)","2004","","7","838","839","10.1039/b316972c","","","0.7107","MoKα","","0.2346","0.1726","","","0.2641","0.2878","","","","","","1.28","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102558","14.968","0.003","15.662","0.003","17.193","0.003","90","","90","","90","","4030.5","1.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 I2 N3 O2 U -","- C15 H15 I2 N3 O2 U -","- C120 H120 I16 N24 O16 U8 -","8","1","","Berthet, Jean-Claude; Nierlich, Martine; Ephritikhine, Michel","Synthesis of the stable UO2I2, the last of the uranyl dihalides. X-ray crystal structure of [UO2I2(py)3].","Chemical communications (Cambridge, England)","2004","","7","870","871","10.1039/b400717d","","","0.71073","MoKα","","0.0538","0.0339","","","0.0676","0.0764","","","","","","0.884","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102572","19.753","0.005","22.214","0.007","9.936","0.003","90","","90","","90","","4360","2","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C224 H184 N8 O16 -","8","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.07","0.051","","0.218","0.217","0.217","","","1.327","0.869","0.869","0.869","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102717","13.3412","0.0015","11.6686","0.0015","24.183","0.003","90","","90","","90","","3764.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","-3,4-ethylenedithio-4'-(-3- pyridincarmaboyl)tetrathiafulvalene, tetrahydrofurane solvate.","-3,4-ethylenedithio-4'-(-3-pyridincarmaboyl)tetrathiafulvalene, tetrahydrofurane solvate.","","- C16 H14 N2 O1.5 S6 -","- C16 H10 N2 O1.5 S6 -","- C128 H80 N16 O12 S48 -","8","1","","Devic, Thomas; Batail, Patrick; Avarvari, Narcis","[2 + 2]Photocyclization in a single-crystal-to-single-crystal transformation of a TTF-amido-pyridine.","Chemical communications (Cambridge, England)","2004","","13","1538","1539","10.1039/b404482g","","","0.71073","MoKα","","0.0974","0.0598","","","0.1287","0.1461","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102718","14.3756","0.0013","11.1605","0.0007","22.9236","0.0019","90","","90","","90","","3677.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(-3,4-ethylenedithio-4'-(-3- pyridincarmaboyl)tetrathiafulvalene), tetrahydrofurane solvate.","bis(-3,4-ethylenedithio-4'-(-3-pyridincarmaboyl)tetrathiafulvalene), tetrahydrofurane solvate.","","- C32 H28 N4 O3 S12 -","- C32 H20 N4 O3 S12 -","- C128 H80 N16 O12 S48 -","4","0.5","","Devic, Thomas; Batail, Patrick; Avarvari, Narcis","[2 + 2]Photocyclization in a single-crystal-to-single-crystal transformation of a TTF-amido-pyridine.","Chemical communications (Cambridge, England)","2004","","13","1538","1539","10.1039/b404482g","","","0.71073","MoKα","","0.169","0.047","","","0.0903","0.108","","","","","","0.595","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102810","16.119","0.003","14.615","0.003","25.53","0.005","90","","90","","90","","6014","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Br N2 O P -","- C30 H44 Br N2 O P -","- C240 H352 Br8 N16 O8 P8 -","8","1","","Lu, Zheng; Findlater, Michael; Cowley, Alan H.","A β-diketiminato hydroxyphosphenium cation: phosphinous acid‒secondary phosphine oxidetautomerism revisited","Chemical Communications (Cambridge, United Kingdom)","2008","","2","184","186","10.1039/b716389d","","","0.71073","MoKα","","0.2696","0.0915","","","0.1908","0.2915","","","","","","0.988","","","","has coordinates","210786","2020-10-21","18:00:00",""
"7102848","14.836","0.002","5.6318","0.0009","26.458","0.004","90","","90","","90","","2210.7","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 S3 -","- C12 H10 S3 -","- C96 H80 S24 -","8","1","","Granados, Alejandro M; Fracaroli, Alejandro M; de Rossi, Rita H; Fuertes, Pedro; Torroba, Tomás","Alkynyl Fischer carbene complex as a traceless directing group for the regioselective cycloaddition of dithiolethiones to arylacetylene: synthesis of E-dithiafulvene thione and dithioesters.","Chemical communications (Cambridge, England)","2008","","4","483","485","10.1039/b715857b","","","0.71073","MoKα","","0.0603","0.0394","","","0.1086","0.1282","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102962","10.5533","0.0002","14.0126","0.0003","15.1145","0.0003","90","","90","","90","","2235.12","0.08","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C96 H104 N24 O8 -","8","1","","Yang, Jye-Shane; Huang, Guan-Jhih; Liu, Yi-Hung; Peng, Shie-Ming","Photoisomerization of the green fluorescence protein chromophore and the meta- and para-amino analogues.","Chemical communications (Cambridge, England)","2008","","11","1344","1346","10.1039/b717714c","","","0.71073","MoKα","","0.0743","0.0564","","","0.1667","0.1799","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103045","15.714","0.003","8.2622","0.0015","20.989","0.004","90","","90","","90","","2725","0.8","293","2","293","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N O6 -","- C13 H17 N O6 -","- C104 H136 N8 O48 -","8","1","","Berkovich-Berger, Dvora; Gabriel Lemcoff, N","Facile acetal dynamic combinatorial library.","Chemical communications (Cambridge, England)","2008","","14","1686","1688","10.1039/b800384j","","x-ray","0.71073","MoKα","","0.1218","0.0484","","","0.1273","0.1683","","","","","","0.966","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103067","17.4125","0.0009","11.1909","0.0005","21.151","0.0012","90","","90","","90","","4121.5","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C224 H176 O16 -","8","1","","Fudickar, Werner; Linker, Torsten","Remote substituent effects on the photooxygenation of 9,10-diarylanthracenes: strong evidence for polar intermediates.","Chemical communications (Cambridge, England)","2008","","15","1771","1773","10.1039/b719637g","","","0.71073","MoKα","","0.0499","0.0388","","","0.1005","0.106","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103092","17.6894","0.0012","20.7503","0.0014","26.9268","0.0018","90","","90","","90","","9883.8","1.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","PyrScBzB","","","- C49 H42 B F20 N2 O2 Sc -","- C49 H42 B F20 N2 O2 Sc -","- C392 H336 B8 F160 N16 O16 Sc8 -","8","1","","Nishiura, Masayoshi; Mashiko, Tomohiro; Hou, Zhaomin","Synthesis and styrene polymerisation catalysis of eta5- and eta1-pyrrolyl-ligated cationic rare earth metal aminobenzyl complexes.","Chemical communications (Cambridge, England)","2008","","17","2019","2021","10.1039/b719182k","","","0.71073","MoKα","","0.0634","0.0427","","","0.1098","0.1189","","","","","","1.021","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103099","17.266","0.004","7.1904","0.0017","25.133","0.006","90","","90","","90","","3120.2","1.3","300","2","300","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Si -","- C18 H20 Si -","- C144 H160 Si8 -","8","1","","Shimizu, Masaki; Tatsumi, Hironori; Mochida, Kenji; Hiyama, Tamejiro","Solid state structures and photophysical properties of (trimethylsilyl)methyl-substituted anthracenes and pyrenes.","Chemical communications (Cambridge, England)","2008","","18","2134","2136","10.1039/b716770a","","","0.71073","MoKα","","0.0669","0.0496","","","0.1288","0.1415","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103111","19.906","0.004","21.982","0.004","39.23","0.008","90","","90","","90","","17166","6","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116.5 Cl6.5 Li13 N6 O13.75 P6 -","- C55 H116.5 Cl6.5 Li13 N6 O13.75 P6 -","- C440 H932 Cl52 Li104 N48 O110 P48 -","8","1","","Chan, Wesley Ting Kwok; Eisler, Dana; García, Felipe; Gonzalez-Calera, Silvia; McPartlin, Mary; Morey, James V; Mulvey, Robert E; Singh, Sanjay; Steiner, Alexander; Wright, Dominic S","Synthesis and structure of the Li13 cage [[[O-P(mu-NtBu)]2Li2]3(LiCl)6Li(Cl/OnBu)0.5(thf)7], containing a [O-P(mu-NtBu)]2(2-) dianion.","Chemical communications (Cambridge, England)","2008","","19","2251","2253","10.1039/b800051d","","","0.71073","MoKα","","0.1231","0.0698","","","0.1609","0.1853","","","","","","0.99","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7103181","8.9391","0.0005","23.5173","0.0017","44.243","0.005","90","","90","","90","","9300.9","1.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H60 N12 O5 Pt3 -","- C42 H48 N12 O5 Pt3 -","- C336 H384 N96 O40 Pt24 -","8","1","","Taylor, Russell A; Law, David J; Sunley, Glenn J; White, Andrew J P; Britovsek, George J P","Hydrogen bonding directs the H2O2 oxidation of platinum(II) to a cis-dihydroxo platinum(IV) complex.","Chemical communications (Cambridge, England)","2008","","24","2800","2802","10.1039/b803370f","","","0.71073","MoKα","","0.1821","0.1529","","","0.2889","0.2956","","","","","","1.803","","","","has coordinates,has disorder","180133","2020-10-21","18:00:00",""
"7103277","7.327","0.0007","11.9741","0.0011","23.187","0.002","90","","90","","90","","2034.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","trichloro(1,2dimethoxyethane)oxoniobium(V)","","","- C4 H10 Cl3 Nb O3 -","- C4 H10 Cl3 Nb O3 -","- C32 H80 Cl24 Nb8 O24 -","8","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","From 1,2-dialkoxyalkanes to 1,4-dioxanes. A transformation mediated by NbCl(5)via multiple C-O bond cleavage at room temperature.","Chemical communications (Cambridge, England)","2008","","31","3651","3653","10.1039/b804432e","","","0.71073","MoKα","","0.0338","0.0239","","","0.0526","0.0562","","","","","","1.042","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103321","10.5821","0.0007","16.6027","0.0008","33.0952","0.0018","90","","90","","90","","5814.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H41 Fe P -","- C33 H41 Fe P -","- C264 H328 Fe8 P8 -","8","1","","Deng, Shining; Schwarzmaier, Christoph; Eichhorn, Christiane; Scherer, Otto; Wolmershäuser, Gotthelf; Zabel, Manfred; Scheer, Manfred","Synthesis and unprecedented coordination behaviour of a novel 1,2,3-triphosphaferrocene complex.","Chemical communications (Cambridge, England)","2008","","34","4064","4066","10.1039/b807658h","","","0.71073","MoKα","","0.093","0.04","","","0.0802","0.0925","","","","","","0.845","","","","has coordinates,has disorder","180136","2020-10-21","18:00:00",""
"7103339","13.566","0.003","10.62","0.002","18.434","0.004","90","","90","","90","","2655.9","0.9","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 F2 N O4 -","- C14 H17 F2 N O4 -","- C112 H136 F16 N8 O32 -","8","1","","Rudler, Henri; Parlier, Andrée; Hamon, Louis; Herson, Patrick; Daran, Jean-Claude","Lactonizations of carboxylic acid-substituted 3-fluorodihydropyridines with electrophiles: peculiar behaviour of F(+).","Chemical communications (Cambridge, England)","2008","","35","4150","4152","10.1039/b807092j","","","0.71073","MoKα","","0.1648","0.069","","","0.149","0.2136","","","","","","0.877","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103442","11.5001","0.0001","16.1708","0.0002","19.6834","0.0002","90","","90","","90","","3660.44","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C184 H208 N16 O8 -","8","1","","Barrett, Anthony G M; Boorman, Tanya C; Crimmin, Mark R; Hill, Michael S; Kociok-Köhn, Gabriele; Procopiou, Panayiotis A","Heavier group 2 element-catalysed hydroamination of isocyanates.","Chemical communications (Cambridge, England)","2008","","41","5206","5208","10.1039/b809649j","","","0.71073","MoKα","","0.0786","0.0531","","","0.1285","0.1466","","","","","","1.027","","","","has coordinates,has disorder","180137","2020-10-21","18:00:00",""
"7103462","26.101","0.007","11.662","0.003","27","0.007","90","","90","","90","","8218","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50 H27 N7 O6 -","- C50 H27 N7 O6 -","- C400 H216 N56 O48 -","8","1","","Das, Dinabandhu; Barbour, Leonard J","Concomitant formation of two different solvates of a hexa-host from a binary mixture of solvents.","Chemical communications (Cambridge, England)","2008","","41","5110","5112","10.1039/b813891e","","","0.71073","MoKα","","0.1482","0.0789","","","0.1669","0.1982","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103468","11.3952","0.0006","11.9039","0.0006","33.5993","0.0017","90","","90","","90","","4557.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H39 O2 P -","- C22 H39 O2 P -","- C176 H312 O16 P8 -","8","1","","Ionkin, Alex S; Marshall, William J; Fish, Brian M; Schiffhauer, Matthew F; McEwen, Charles N","A stable enol in small ring systems: clear differentiation between penta- and tri-valency of phosphorus atoms.","Chemical communications (Cambridge, England)","2008","","42","5432","5434","10.1039/b809877h","","","0.71073","MoKα","","0.0639","0.0506","","","0.133","0.1426","","","","","","1.073","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103472","12.6264","0.0011","12.6725","0.0011","15.9427","0.0014","90","","90","","90","","2551","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H20 I N O -","- C11 H20 I N O -","- C88 H160 I8 N8 O8 -","8","1","","Lauru, Stephanie; Simpkins, Nigel S; Gethin, David; Wilson, Claire","Enantioselective synthesis of cyclopropylcarboxamides using s-BuLi-sparteine-mediated metallation.","Chemical communications (Cambridge, England)","2008","","42","5390","5392","10.1039/b810441g","","","0.71073","MoKα","","0.0451","0.0372","","","0.0956","0.102","","","","","","1.08","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103486","10.5367","0.0004","12.484","0.0005","42.662","0.002","90","","90","","90","","5611.8","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Ge N2 -","- C31 H42 Ge N2 -","- C248 H336 Ge8 N16 -","8","1","","Yao, Shenglai; van Wüllen, Christoph; Driess, Matthias","Striking reactivity of ylide-like germylene toward terminal alkynes: [4+2] cycloaddition versus C-H bond activation.","Chemical communications (Cambridge, England)","2008","","42","5393","5395","10.1039/b811952j","","","0.71073","MoKα","","0.1361","0.042","","","0.0584","0.0705","","","","","","0.721","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103515","16.594","0.005","17.531","0.005","19.604","0.006","90","","90","","90","","5703","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H82 I2 Nd2 O6 P2 -","- C48 H82 I2 Nd2 O6 P2 -","- C192 H328 I8 Nd8 O24 P8 -","4","0.5","","Cui, Peng; Chen, Yaofeng; Xu, Xin; Sun, Jie","An unprecedented lanthanide phosphinidene halide: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2008","","43","5547","5549","10.1039/b813075b","","","0.71073","MoKα","","0.0675","0.0473","","","0.1096","0.1182","","","","","","0.963","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103517","21.679","0.002","18.6294","0.0017","23.275","0.002","90","","90","","90","","9400","1.5","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H43 B F15 P Pt S -","- C51 H43 B F15 P Pt S -","- C408 H344 B8 F120 P8 Pt8 S8 -","8","1","","Hesp, Kevin D; McDonald, Robert; Ferguson, Michael J; Schatte, Gabriele; Stradiotto, Mark","(kappa(2)-P,S)Pt(benzyl) complexes derived from 1/3-P(i)Pr(2)-2-S(t)Bu-indene: facile synthesis of carbanion- and borate-containing zwitterions.","Chemical communications (Cambridge, England)","2008","","43","5645","5647","10.1039/b813421a","","","0.71073","MoKα","","0.084","0.0379","","","0.0716","0.0892","","","","","","1.06","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103573","18.673","0.005","23.053","0.007","19.701","0.006","90","","90","","90","","8481","4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H52 B N O S -","- C52 H52 B N O S -","- C416 H416 B8 N8 O8 S8 -","8","1","","Kobayashi, Junji; Nakafuji, Shin-ya; Yatabe, Atsushi; Kawashima, Takayuki","A novel ylide-stabilized carbene; formation and electron donating ability of an amino(sulfur-ylide)carbene.","Chemical communications (Cambridge, England)","2008","","46","6233","6235","10.1039/b813454e","","","0.7107","MoKα","","0.065","0.0509","","","0.126","0.1369","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103594","17.327","0.004","12.11","0.002","22.42","0.005","90","","90","","90","","4704.4","1.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Br4 In2 N4 -","- C12 H32 Br4 In2 N4 -","- C96 H256 Br32 In16 N32 -","8","1","","Green, Shaun P; Jones, Cameron; Stasch, Andreas","Synthesis and structural characterisation of a soluble, metastable indium(I) halide complex, [InBr(tmeda)].","Chemical communications (Cambridge, England)","2008","","47","6285","6287","10.1039/b814658f","","","0.71073","MoKα","","0.1199","0.0552","","","0.1213","0.1493","","","","","","1.027","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103715","11.3464","0.0009","15.2076","0.0013","27.249","0.002","90","","90","","90","","4701.9","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Mg N2 O -","- C24 H38 Mg N2 O -","- C192 H304 Mg8 N16 O8 -","8","1","","Bailey, Philip J.; Loroño-González, Daniel; Parsons, Simon","6-Aminofulvene-2-aldimine, a novel class of ambidentate cyclopentadienyl/diimine ligand: synthesis and characterisation of magnesium complexes","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1426","1427","10.1039/b303540a","","","0.71073","MoKα","","0.0876","0.0652","","","0.1469","0.1578","","","","","","1.078","","","","has coordinates,has disorder","209724","2020-10-21","18:00:00",""
"7103756","28.294","0.002","9.1628","0.0008","29.053","0.002","90","","90","","90","","7532.1","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C368 H288 N32 O32 -","16","2","","Jason Love; Alexander J. Blake; Peter B. Hitchcock; Andrew Novak; Stuart D. Reid; Claire Wilson","The syntheses and structures of Group 1 expanded dipyrrolides: the formation of a 12-rung amidolithium circular ladder","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303611a","","","0.71073","MoKα","","0.0624","0.0426","","","0.1068","0.1131","","","","","","0.992","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7103778","9.443","0.001","9.3681","0.001","16.0755","0.0017","90","","90","","90","","1422.1","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Cu3 N2 O12 P4 -","- C4 H12 Cu3 N2 O12 P4 -","- C16 H48 Cu12 N8 O48 P16 -","4","0.5","","Abraham Clearfield; Deyuan Kong; Yan Li; Joseph H. Ross","A novel copper arganophosphonate with a pore-like 3D network and Cu-Cu magnetic ordering","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b304610a","","","0.71073","MoKα","","0.0609","0.0527","","","0.1323","0.136","","","","","","1.042","","","","has coordinates","180140","2020-10-21","18:00:00",""
"7103844","12.447","0.0009","11.465","0.0007","12.4929","0.0009","90","","90","","90","","1782.8","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H13 Ag N4 O3 -","- C5 H13 Ag N4 O3 -","- C40 H104 Ag8 N32 O24 -","8","1","","Seeber, Georg; Pickering, Alexandra L.; Long, De-liang; Cronin, Leroy","Controlling Dimensionality of Silver(I) Coordination Networks with Rigid Aliphatic Amino Ligands: From a 2D to a 3D Network of Unprecedented Topology Comprising Helical Channels","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b305188a","","","0.71073","MoKα","","0.0775","0.0407","","","0.0695","0.0775","","","","","","1.105","","","","has coordinates","180141","2020-10-21","18:00:00",""
"7103855","24.6741","0.0013","15.4148","0.0008","30.8125","0.0016","90","","90","","90","","11719.4","1.1","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H51 Mo5 N9 Ni2 O32.5 P2 -","- C38 H28 Mo5 N9 Ni2 O32.4 P2 -","- C304 H224 Mo40 N72 Ni16 O259.2 P16 -","8","1","","Burkholder, Eric; Golub, Vladimir; O'Connor, Charles J.; Zubieta, Jon","A building block approach to the synthesis of organic‒inorganic oxide materials: the hydrothermal synthesis and network structure of [{Ni4(tpypyz)3}{Mo5O15(O3PCH2CH2PO3)}2]·23H2O (tpypyz = tetra-2-pyridylpyrazine)","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2128","2129","10.1039/b303659f","","","0.71073","MoKα","","0.1249","0.072","","","0.1179","0.1379","","","","","","1.117","","","","has coordinates,has disorder","210529","2020-10-21","18:00:00",""
"7103864","18.167","0.0003","20.5004","0.0004","22.0406","0.0003","90","","90","","90","","8208.6","0.2","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","3(SbF6)2","3(SbF6)2","","- C35 H36 Ag F6 N O3 P2 Pt0.5 Sb -","- C35 H30 Ag F6 N O3 P2 Pt0.5 Sb -","- C280 H240 Ag8 F48 N8 O24 P16 Pt4 Sb8 -","8","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Ma, Zhen; Shi, Lin-Xi; Chen, Zhong-Ning","Luminescent heterohexanuclear complexes with platinum alkynyl and silver diphosphine as components","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2188","2189","10.1039/b305284b","","","0.71073","MoKα","","0.0937","0.0502","","","0.1106","0.1321","","","","","","1.166","","","","has coordinates","209740","2020-10-21","18:00:00",""
"7103906","17.173","0.003","17.584","0.003","20.164","0.003","90","","90","","90","","6088.8","1.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 N2 O7 P2 Pd -","- C32 H26 N2 O7 P2 Pd -","- C256 H208 N16 O56 P16 Pd8 -","8","1","","Viton, Florian; White, Peter S.; Gagné, Michel R.","Crown-ether functionalised second coordination sphere palladium catalysts by molecular imprinting","Chemical Communications (Cambridge, United Kingdom)","2003","","24","3040","3041","10.1039/b309072h","","","0.71073","MolybdenumKα","","0.077","0.053","","0.056","0.053","","","","","2.85","2.85","","","","","has coordinates","210414","2020-10-21","18:00:00",""
"7103949","8.6479","0.0004","19.4712","0.0009","19.5345","0.0009","90","","90","","90","","3289.3","0.3","100","","100","","","","","","","","see paper","4","P b c a","-P 2ac 2ab","61","","","","- C36 H48 N4 Zn2 -","- C36 H48 N4 Zn2 -","- C144 H192 N16 Zn8 -","4","0.5","","Bette, Virginie; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François","Direct Zn‒diamine promoted reduction of C=O and C=N bonds by polymethylhydrosiloxane in methanol","Chemical Communications (Cambridge, United Kingdom)","2003","","3","332","333","10.1039/b210144k","","","0.71073","MoKα","","0.1177","0.0535","","","0.0899","0.1037","","","","","","0.996","","","","has coordinates","210500","2020-10-21","18:00:00",""
"7103953","19.676","0.004","20.606","0.004","21.642","0.004","90","","90","","90","","8775","3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Ga4 I8 Si4 -","- C20 H36 Ga4 I8 Si4 -","- C160 H288 Ga32 I64 Si32 -","8","1","","Baker, Robert J.; Jones, Cameron","The reaction of ""GaI"" with a 1,3-diyne: synthesis, characterisation and reactivity of a novel C‒C coupled ene‒diyne‒bis(gem-organodigallium(III)) complex","Chemical Communications (Cambridge, United Kingdom)","2003","","3","390","391","10.1039/b210868m","","","0.71073","MoKα","","0.0792","0.0471","","","0.0823","0.0914","","","","","","1.084","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103961","11.751","0.001","38.246","0.003","15.542","0.001","90","","89","","89","","6985","1","243.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H39 Cl I2 P2 S -","- C31 H39 Cl I2 P2 S -","- C248 H312 Cl8 I16 P16 S8 -","8","1","","Ito, Shigekazu; Liang, Hongze; Yoshifuji, Masaaki","Preparation, structure, and some coordination properties of 2-chloro-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-t-butylphenyl)-1,3-diphosphapropene","Chemical Communications (Cambridge, United Kingdom)","2003","","3","398","399","10.1039/b211230b","","","0.7107","MoKα","","","0.0453","","","","0.0531","","","","","","1.19","","","","has coordinates","210610","2020-10-21","18:00:00",""
"7103987","11.302","0.008","9.337","0.006","17.947","0.012","90","","90","","90","","1894","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,3-dimethylimidazolium hexafluorophosphate","","","- C5 H9 F6 N2 P -","- C5 H9 F6 N2 P -","- C40 H72 F48 N16 P8 -","8","1","","Holbrey, John D.; Reichert, W. Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D.","Liquid clathrate formation in ionic liquid‒aromatic mixtures","Chemical Communications (Cambridge, United Kingdom)","2003","","4","476","477","10.1039/b212726a","","","0.71073","MoKα","","0.0413","0.0335","","","0.086","0.0892","","","","","","1.05","","","","has coordinates","209744","2020-10-21","18:00:00",""
"7103988","11.254","0.002","9.3606","0.0019","17.986","0.004","90","","90","","90","","1894.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,3-dimethylimidazolium hexafluorophosphate","1,3-dimethylimidazolium hexafluorophosphate","","- C5 H9 F6 N2 P -","- C5 H9 F6 N2 P -","- C40 H72 F48 N16 P8 -","8","1","","Holbrey, John D.; Reichert, W. Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D.","Liquid clathrate formation in ionic liquid‒aromatic mixtures","Chemical Communications (Cambridge, United Kingdom)","2003","","4","476","477","10.1039/b212726a","","","0.71073","MoKα","","0.0708","0.0529","","","0.1408","0.1528","","","","","","1.024","","","","has coordinates","209744","2020-10-21","18:00:00",""
"7104007","14.5486","0.0002","14.5834","0.0004","28.1825","0.0008","90","","90","","90","","5979.4","0.2","156","2","156","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Cu F3 N2 O4 S -","- C31 H35 Cu F3 N2 O4 S -","- C248 H280 Cu8 F24 N16 O32 S8 -","8","1","","","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b212921c","","","0.71073","MoKα","","0.0589","0.0304","","","0.06","0.0639","","","","","","0.875","","","","has coordinates","180143","2020-10-21","18:00:00",""
"7104021","26.1826","0.0013","9.6386","0.0004","27.42","0.002","90","","90","","90","","6919.7","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,3',5,5'-Tetramethyl-4,4'-Bipyrazole, Methanol solvate","3,3',5,5'-Tetramethyl-4,4'-Bipyrazole, Methanol solvate","","- C31 H46 N12 O -","- C31 H46 N12 O -","- C248 H368 N96 O8 -","8","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Sieler, Joachim; Blaurock, Steffen; Domasevitch, Konstantin V.","Construction of extended networks with a trimeric pyrazole synthon","Chemical Communications (Cambridge, United Kingdom)","2003","","6","740","741","10.1039/b212540d","","","0.71073","MoKα","","0.1368","0.0475","","0.1148","0.0956","","","","0.772","1.041","1.041","","","","","has coordinates","210466","2020-10-21","18:00:00",""
"7104024","14.1052","0.0007","16.7914","0.0005","26.9961","0.0013","90","","90","","90","","6393.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H35 N3 O8 U Zn -","- C33 H27 N3 O8 U Zn -","- C264 H216 N24 O64 U8 Zn8 -","8","1","","Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Girerd, Jean-Jacques; Ephritikhine, Michel","Structure and magnetism of the first strictly dinuclear compound containing paramagnetic 3d and 5f metal ions. Major influence of the CuII ion coordination on the exchange CuII‒UIV interaction","Chemical Communications (Cambridge, United Kingdom)","2003","","6","762","763","10.1039/b212635d","","","0.71073","MoKα","","0.1024","0.0626","","","0.1036","0.117","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104034","17.26305","0.00032","6.39336","0.00011","6.20451","0.0001","90","","90","","90","","684.785","","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ethylenediaminozinc(II) Sulfide","","","- C H4 N S Zn -","- C H4 N S Zn -","- C8 H32 N8 S8 Zn8 -","8","1","","Ouyang, Xiang; Tsai, Tsung-Yen; Chen, Dong-Hwang; Huang, Qi-Jie; Cheng, Wu-Hsun; Clearfield, Abraham","Ab initio structure study from in-house powder diffraction of a novel ZnS(EN)0.5 structure with layered wurtzite ZnS fragment","Chemical Communications (Cambridge, United Kingdom)","2003","","7","886","887","10.1039/b212335p","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0472","","1.74","","","","","","","has coordinates","210658","2020-10-21","18:00:00",""
"7104051","18.709","0.004","19.238","0.004","23.1","0.005","90","","90","","90","","8314","3","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H50 Cl3 Cu2 N8 O14.5 -","- C31 H49 Cl3 Cu2 N8 O14.5 -","- C248 H392 Cl24 Cu16 N64 O116 -","8","1","","Li, Shu-an; Li, Dong-feng; Yang, De-xi; Li, Yi-zhi; Huang, Jin; Yu, Kai-bei; Tang, Wen-xia","A novel imidazolate-bridged heterodinuclear Cu(II)Zn(II) complex derived from a unique macrocyclic ligand with two hydroxyethyl pendants","Chemical Communications (Cambridge, United Kingdom)","2003","","7","880","881","10.1039/b300013c","","","0.71073","MoKα","","0.2001","0.0735","","","0.1679","0.2115","","","","","","0.797","","","","has coordinates,has disorder","210520","2020-10-21","18:00:00",""
"7104069","17.2295","0.0001","14.369","0.0001","17.9638","0.0001","90","","90","","90","","4447.31","0.05","173","","173","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Lu -","- C18 H39 Al2 Lu -","- C144 H312 Al16 Lu8 -","8","1","","Anwander, Reiner; Klimpel, Michael G.; Dietrich, H. Martin; Shorokhov, Dmitry J.; Scherer, Wolfgang","High tetraalkylaluminate fluxionality in half-sandwich complexes of the trivalent rare-earth metals","Chemical Communications (Cambridge, United Kingdom)","2003","","8","1008","1009","10.1039/b212754g","","","0.71073","MoKα","","0.0253","0.0208","","","0.0478","0.0499","","","","","","1.137","","","","has coordinates","210638","2020-10-21","18:00:00",""
"7104101","10.732","0.019","21.72","0.04","35.49","0.05","90","","90","","90","","8272","24","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Cl2 In3 Rh -","- C40 H60 Cl2 In3 Rh -","- C320 H480 Cl16 In24 Rh8 -","8","1","","Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.","Insertion of organoindium carbenoids into rhodium halide bonds: revisiting a classic type of transition metal‒group 13 metal bond formation","Chemical Communications (Cambridge, United Kingdom)","2003","","9","1066","1067","10.1039/b301928d","","","0.71073","MoKα","","0.0906","0.0558","","","0.1241","0.1392","","","","","","1.037","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104121","10.31","0.001","18.846","0.001","43.61","0.001","90","","90","","90","","8473.5","1","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H58 P2 Pd Si4 -","- C38 H58 P2 Pd Si4 -","- C304 H464 P16 Pd8 Si32 -","8","1","","Blug, Matthias; Guibert, Clément; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal","1-phosphabarrelene complexes of palladium and their use in Suzuki-Miyaura coupling reactions.","Chemical communications (Cambridge, England)","2008","34","2","201","203","10.1039/b814886d","","","0.71069","MoKα","","0.0918","0.0647","","","0.1956","0.2271","","","","","","1.005","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104142","16.4954","0.0002","13.9284","0.0003","26.6078","0.0005","90","","90","","90","","6113.26","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H35 N O5 S2 -","- C34 H35 N O5 S2 -","- C272 H280 N8 O40 S16 -","8","1","","Carballares, Santiago; Craig, Donald; Hyland, Christopher J T; Lu, Pengfei; Mathie, Tanya; White, Andrew J P","Highly regioselective ring-opening of trisubstituted aziridines by sulfur-stabilised carbanions.","Chemical communications (Cambridge, England)","2009","34","4","451","453","10.1039/b815971h","","","0.71073","MoKα","","0.084","0.067","","","0.1414","0.1469","","","","","","1.233","","","","has coordinates,has disorder","180144","2020-10-21","18:00:00",""
"7104143","15.6552","0.0002","12.3842","0.0002","28.0436","0.0004","90","","90","","90","","5437.01","0.14","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 N O3 S2 -","- C29 H33 N O3 S2 -","- C232 H264 N8 O24 S16 -","8","1","","Carballares, Santiago; Craig, Donald; Hyland, Christopher J T; Lu, Pengfei; Mathie, Tanya; White, Andrew J P","Highly regioselective ring-opening of trisubstituted aziridines by sulfur-stabilised carbanions.","Chemical communications (Cambridge, England)","2009","34","4","451","453","10.1039/b815971h","","","1.54248","CuKα","","0.0854","0.0423","","","0.0761","0.0867","","","","","","0.995","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104247","10.571","0.001","6.448","0.001","28.57","0.003","90","","90","","90","","1947.4","0.4","198","2","198","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","","","- C6 H12 N4 O4 -","- C6 H12 N4 O4 -","- C48 H96 N32 O32 -","8","1","","Knott, Kerstin E; Auschill, Stefan; Jäger, Anne; Knölker, Hans-Joachim","First total synthesis of the whole series of the antiostatins A and B.","Chemical communications (Cambridge, England)","2009","34","12","1467","1469","10.1039/b821039j","","x-ray","0.71073","MoKα","","0.0551","0.0386","","","0.0919","0.1015","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104277","10.638","0.002","7.562","0.0015","30.221","0.006","90","","90","","90","","2431.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","O2-Methyl 1-(4-Phenylpiperazin-1-yl)diazen-1-ium-1,2-diolate","","","- C11 H16 N4 O2 -","- C11 H16 N4 O2 -","- C88 H128 N32 O16 -","8","1","","Huang, Zhangjian; Zhang, Yihua; Fang, Lei; Zhang, Zhiguo; Lai, Yisheng; Ding, Ye; Cao, Fengqi; Zhang, Ji; Peng, Sixun","Nanometre-sized titanium dioxide-catalyzed reactions of nitric oxide with aliphatic cyclic and aromatic amines.","Chemical communications (Cambridge, England)","2009","34","13","1763","1765","10.1039/b820535c","","","0.71073","MoKα","","0.1502","0.0827","","","0.1771","0.2105","","","","","","1.035","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104282","15.4274","0.0009","12.0826","0.0007","29.1463","0.0017","90","","90","","90","","5433","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(Zr2Cp2(/n2-OH)2(H2O)6(OSO2C6F5)4(H2O)6)","[Zr2Cp2(/n2-OH)2(H2O)6(OSO2C6F5)4(H2O)6]","","- C34 H36 F20 O26 S4 Zr2 -","- C34 H36 F20 O26 S4 Zr2 -","- C136 H144 F80 O104 S16 Zr8 -","4","0.5","","Qiu, Renhua; Xu, Xinhua; Li, Yinhui; Zhang, Guoping; Shao, Lingling; An, Delie; Yin, Shuangfeng","Synthesis and structure of air-stable Lewis acidic binuclear complex of zirconocene pentafluorophenylsulfonate and its catalytic application in the allylation of carbonyl compounds with tetraallyltin.","Chemical communications (Cambridge, England)","2009","34","13","1679","1681","10.1039/b821366f","","","0.71073","MoKα","","0.0571","0.044","","","0.1185","0.1249","","","","","","1.038","","","","has coordinates","180145","2020-10-21","18:00:00",""
"7104312","18.7586","0.0002","18.7004","0.0002","20.4731","0.0002","90","","90","","90","","7181.83","0.13","111","2","111","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H56 Hf N4 O8 -","- C28 H56 Hf N4 O8 -","- C224 H448 Hf8 N32 O64 -","8","1","","Pothiraja, Ramasamy; Milanov, Andrian P; Barreca, Davide; Gasparotto, Alberto; Becker, Hans-Werner; Winter, Manuela; Fischer, Roland A; Devi, Anjana","Hafnium carbamates and ureates: new class of precursors for low-temperature growth of HfO2 thin films.","Chemical communications (Cambridge, England)","2009","34","15","1978","1980","10.1039/b821128k","","","0.71073","MoKα","","0.0621","0.0299","","","0.0534","0.0686","","","","","","1.301","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104465","10.2826","0.0002","20.5801","0.0006","35.641","0.001","90","","90","","90","","7542.2","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H59 N7 O2 -","- C40 H59 N7 O2 -","- C320 H472 N56 O16 -","8","1","","Fisher, Matthew G; Gale, Philip A; Hiscock, Jennifer R; Hursthouse, Michael B; Light, Mark E; Schmidtchen, Franz P; Tong, Christine C","1,2,3-triazole-strapped calix[4]pyrrole: a new membrane transporter for chloride.","Chemical communications (Cambridge, England)","2009","34","21","3017","3019","10.1039/b904089g","","","0.71073","MoKα","","0.1318","0.0656","","","0.1445","0.1737","","","","","","1.03","","","","has coordinates","180147","2020-10-21","18:00:00",""
"7104475","15.983","0.004","19.88","0.004","21.062","0.005","90","","90","","90","","6692","3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C49 H25 Cl2 -","- C49 H25 Cl2 -","- C392 H200 Cl16 -","8","1","","Gholami, Mojtaba; Chaur, Manuel N; Wilde, Myron; Ferguson, Michael J; McDonald, Robert; Echegoyen, Luis; Tykwinski, Rik R","Radiaannulenes: synthesis, electrochemistry, and solid-state structure.","Chemical communications (Cambridge, England)","2009","34","21","3038","3040","10.1039/b904762j","","","0.71073","MoKα","","0.0636","0.04","","","0.0911","0.1039","","","","","","1.03","","","","has coordinates","180147","2020-10-21","18:00:00",""
"7104521","14.0086","0.0019","16.332","0.002","16.622","0.002","90","","90","","90","","3802.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H42 N4 Ni3 O16 -","- C38 H42 N4 Ni3 O16 -","- C152 H168 N16 Ni12 O64 -","4","0.5","","Xu, Ling; Yan, Shihai; Choi, Eun-Young; Lee, Jin Yong; Kwon, Young-Uk","Product control by halide ions of ionic liquids in the ionothermal syntheses of Ni-(H)BTC metal-organic frameworks.","Chemical communications (Cambridge, England)","2009","34","23","3431","3433","10.1039/b902223f","","","0.71073","MoKα","","0.1015","0.0675","","","0.1645","0.1988","","","","","","1.084","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104522","14.0636","0.0006","15.9152","0.0007","16.5858","0.0007","90","","90","","90","","3712.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N4 Ni3 O16 -","- C34 H34 N4 Ni3 O16 -","- C136 H136 N16 Ni12 O64 -","4","0.5","","Xu, Ling; Yan, Shihai; Choi, Eun-Young; Lee, Jin Yong; Kwon, Young-Uk","Product control by halide ions of ionic liquids in the ionothermal syntheses of Ni-(H)BTC metal-organic frameworks.","Chemical communications (Cambridge, England)","2009","34","23","3431","3433","10.1039/b902223f","","","0.71073","MoKα","","0.0899","0.0605","","","0.1616","0.1905","","","","","","1.095","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7104523","14.1349","0.0005","16.2961","0.0005","16.524","0.0005","90","","90","","90","","3806.2","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H38 N4 Ni3 O16 -","- C36 H38 N4 Ni3 O16 -","- C144 H152 N16 Ni12 O64 -","4","0.5","","Xu, Ling; Yan, Shihai; Choi, Eun-Young; Lee, Jin Yong; Kwon, Young-Uk","Product control by halide ions of ionic liquids in the ionothermal syntheses of Ni-(H)BTC metal-organic frameworks.","Chemical communications (Cambridge, England)","2009","34","23","3431","3433","10.1039/b902223f","","","0.71073","MoKα","","0.0653","0.0365","","","0.0908","0.1172","","","","","","1.063","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104541","12.255","0.003","12.558","0.003","24.929","0.006","90","","90","","90","","3836.4","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O3 Pt -","- C22 H19 N O3 Pt -","- C176 H152 N8 O24 Pt8 -","8","1","","Zhou, Guijiang; Wang, Qi; Ho, Cheuk-Lam; Wong, Wai-Yeung; Ma, Dongge; Wang, Lixiang","Duplicating ""sunlight"" from simple WOLEDs for lighting applications.","Chemical communications (Cambridge, England)","2009","34","24","3574","3576","10.1039/b904382a","","","0.71073","MoKα","","0.0538","0.0407","","","0.1039","0.1147","","","","","","1.052","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104587","13.1323","0.0003","16.589","0.0004","22.2175","0.0005","90","","90","","90","","4840.12","0.19","296","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H37 Au F6 P Sb -","- C19 H37 Au F6 P Sb -","- C152 H296 Au8 F48 P8 Sb8 -","8","1","","Hooper, Thomas N; Green, Michael; McGrady, John E; Patel, Jaynika R; Russell, Christopher A","Synthesis and structural characterisation of stable cationic gold(I) alkene complexes.","Chemical communications (Cambridge, England)","2009","34","26","3877","3879","10.1039/b908109g","","x-ray","0.71074","MoKα","","0.0313","0.0234","","","0.0505","0.0531","","","","","","1.008","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104665","11.4981","0.0003","16.0118","0.0005","18.253","0.0004","90","","90","","90","","3360.47","0.16","290","","290","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Re S5 -","- C12 H17 Re S5 -","- C96 H136 Re8 S40 -","8","1","","De Montigny, Frederic; Guy, Laure; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Lombardi, Rosina; Freedman, Teresa B; Nafie, Laurence A; Crassous, Jeanne","Subtle chirality in oxo- and sulfidorhenium(v) complexes.","Chemical communications (Cambridge, England)","2009","34","32","4841","4843","10.1039/b907924f","","","0.71073","MoKα","","0.091","0.0492","","0.1211","0.0603","0.0603","","","","","","1.0841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104703","13.838","0.003","12.784","0.003","16.885","0.003","90","","90","","90","","2987","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc-triazolato-oxalate","","","- C6 H7 N8 O4.5 Zn2 -","- C6 H5 N8 O4.5 Zn2 -","- C48 H40 N64 O36 Zn16 -","8","1","","Vaidhyanathan, Ramanathan; Iremonger, Simon S; Dawson, Karl W; Shimizu, George K H","An amine-functionalized metal organic framework for preferential CO(2) adsorption at low pressures.","Chemical communications (Cambridge, England)","2009","34","35","5230","5232","10.1039/b911481e","","","1.5406","CuKα","","0.0711","0.0504","","","0.1204","0.1306","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104763","20.5747","0.0008","16.6713","0.0007","30.6305","0.001","90","","90","","90","","10506.5","0.7","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H80 B3 Ir O6 P2 -","- C49 H80 B3 Ir O6 P2 -","- C392 H640 B24 Ir8 O48 P16 -","8","1","","Liskey, Carl W; Wei, Carolyn S; Pahls, Dale R; Hartwig, John F","Pronounced effects of substituents on the iridium-catalyzed borylation of aryl C-H bonds.","Chemical communications (Cambridge, England)","2009","34","37","5603","5605","10.1039/b913949d","","","0.71073","MoKα","","0.0872","0.0395","","","0.0693","0.0833","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7104794","17.8013","0.0006","19.2789","0.0006","27.0247","0.0009","90","","90","","90","","9274.6","0.5","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H52 N4 Ni O2 -","- C60 H52 N4 Ni O2 -","- C480 H416 N32 Ni8 O16 -","8","1","","Connor, Eric F.; Younkin, Todd R.; Henderson, Jason I.; Waltman, Andrew W.; Grubbs, Robert H.","Synthesis of neutral nickel catalysts for ethylene polymerization ‒ the influence of ligand size on catalyst stability","Chemical Communications (Cambridge, United Kingdom)","2003","","18","2272","2273","10.1039/b306701g","","","0.71073","MoKα","","0.0833","0.0439","","","0.0566","0.0589","","","","","","1.805","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7104796","18.0982","0.0013","14.4","0.001","22.383","0.0016","90","","90","","90","","5833.3","0.7","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N2 Ni O -","- C36 H36 N2 Ni O -","- C288 H288 N16 Ni8 O8 -","8","1","","Connor, Eric F.; Younkin, Todd R.; Henderson, Jason I.; Waltman, Andrew W.; Grubbs, Robert H.","Synthesis of neutral nickel catalysts for ethylene polymerization ‒ the influence of ligand size on catalyst stability","Chemical Communications (Cambridge, United Kingdom)","2003","","18","2272","2273","10.1039/b306701g","","","0.71073","MoKα","","0.0387","0.0287","","","0.0518","0.0527","","","","","","1.913","","","","has coordinates","209777","2020-10-21","18:00:00",""
"7104820","14.271","0.002","21.144","0.007","40.875","0.005","90","","90","","90","","12333","5","298","","","","","","","","","","Local laboratory","6","P b c a","-P 2ac 2ab","61","","","","- C68 H48 B Br5 N6 Ru -","- C68 H48 B Br5 N6 Ru -","- C544 H384 B8 Br40 N48 Ru8 -","8","1","","Carella, Alexandre; Jaud, Joël; Rapenne, Gwénaël; Launay, Jean-Pierre","Technomimetic molecules: synthesis of ruthenium(II) 1,2,3,4,5-penta(p-bromophenyl)cyclopentadienyl hydrotris(indazolyl)borate, an organometallic molecular turnstile","Chemical Communications (Cambridge, United Kingdom)","2003","","19","2434","2435","10.1039/b307577j","","","0.71073","MoKα","","0.484","0.088","","0.366","0.144","0.139","","","5.29","4.557","4.557","4.39","","","","has coordinates","210456","2020-10-21","18:00:00",""
"7104963","12.702","0.004","18.693","0.006","25.481","0.007","90","","90","","90","","6050","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((P)Au(eta2-H2=CH-4-C6H4Me))+ SbF6-","","","- C29 H37 Au F6 P Sb -","- C29 H37 Au F6 P Sb -","- C232 H296 Au8 F48 P8 Sb8 -","8","1","","Brown, Timothy J; Dickens, Marina G; Widenhoefer, Ross A","Syntheses and X-ray crystal structures of cationic, two-coordinate gold(I) pi-alkene complexes that contain a sterically hindered o-biphenylphosphine ligand.","Chemical communications (Cambridge, England)","2009","","42","6451","6453","10.1039/b914632f","","","0.71073","MoKα","","0.0415","0.0291","","","0.0649","0.0683","","","","","","1.426","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7104970","17.9055","0.0008","19.9639","0.0009","27.1312","0.0013","90","","90","","90","","9698.4","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H41 B F24 N2 O Pd -","- C43 H41 B F24 N2 O Pd -","- C344 H328 B8 F192 N16 O8 Pd8 -","8","1","","Walter, Marc D; White, Peter S; Brookhart, Maurice","Gamma-agostic interactions stabilize the propagating species in the vinyl addition polymerization of norbornene.","Chemical communications (Cambridge, England)","2009","","42","6361","6363","10.1039/b916457j","","","0.71073","MoKα","","0.077","0.0583","","","0.1505","0.1659","","","","","","1.018","","","","has coordinates,has disorder","180153","2020-10-21","18:00:00",""
"7105058","8.8103","0.0003","7.9336","0.0002","38.3842","0.0011","90","","90","","90","","2682.96","0.14","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O4 S -","- C15 H12 O4 S -","- C120 H96 O32 S8 -","8","1","","Gopinath, Pushparathinam; Nilaya, Surapaneni; Debi, Tripathy Ranjan; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","As many as six tandem reactions in one step! Unprecedented formation of highly functionalized benzothiophenes.","Chemical communications (Cambridge, England)","2009","","46","7131","7133","10.1039/b914424b","","","0.71073","MoKα","","0.1004","0.0454","","","0.0867","0.1134","","","","","","1.002","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105123","7.9613","0.0001","17.2291","0.0003","20.1287","0.0004","90","","90","","90","","2760.97","0.08","93.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 -","- C17.4971 H19.3714 O5.16571 -","- C122.48 H135.6 O36.16 -","7","0.875","","Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K","Synthesis of functionalized maoecrystal V core structures.","Chemical communications (Cambridge, England)","2009","46","1","70","72","10.1039/b917045f","","","0.71075","MoKα","","","0.0625","","","","0.0633","","","","","","2.77","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105125","7.9585","0.0016","17.241","0.003","20.159","0.004","90","","90","","90","","2766","1","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C136 H144 O40 -","8","1","","Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K","Synthesis of functionalized maoecrystal V core structures.","Chemical communications (Cambridge, England)","2009","46","1","70","72","10.1039/b917045f","","","0.71073","MoKα","","0.0635","0.0576","","","0.1336","0.1384","","","","","","1.132","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105131","20.3371","0.0004","16.492","0.0003","26.8598","0.0006","90","","90","","90","","9008.8","0.3","110","2","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H33 B Cu F20 N3 S -","- C43 H33 B Cu F20 N3 S -","- C344 H264 B8 Cu8 F160 N24 S8 -","8","1","","Park, Ga Young; Lee, Yunho; Lee, Dong-Heon; Woertink, Julia S; Narducci Sarjeant, Amy A; Solomon, Edward I; Karlin, Kenneth D","Thioether S-ligation in a side-on micro-eta2:eta2-peroxodicopperii complex.","Chemical communications (Cambridge, England)","2009","46","1","91","93","10.1039/b918616f","","","0.71073","MoKα","","0.157","0.091","","","0.1169","0.1412","","","","","","1.253","","","","has coordinates,has disorder","180155","2020-10-21","18:00:00",""
"7105149","18.68","0.002","7.2722","0.0008","19.09","0.002","90","","90","","90","","2593.3","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Wu, Liang; Aliev, Abil E; Caddick, Stephen; Fitzmaurice, Richard J; Tocher, Derek A; King, Frank D","A facile synthesis of dibenzopyrroloazepinones as tetracyclic allocolchicinoids‒an unusual 1,2-phenyl shift.","Chemical communications (Cambridge, England)","2009","46","2","318","320","10.1039/b919114c","","","0.71073","MoKα","","0.0778","0.0526","","","0.1224","0.1339","","","","","","1.047","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105161","12.2153","0.0008","13.1102","0.0008","28.6077","0.0018","90","","90","","90","","4581.4","0.5","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H22 B Br2 Co F2 N4 O2 -","- C20 H22 B Br2 Co F2 N4 O2 -","- C160 H176 B8 Br16 Co8 F16 N32 O16 -","8","1","","Berben, Louise A; Peters, Jonas C","Hydrogen evolution by cobalt tetraimine catalysts adsorbed on electrode surfaces.","Chemical communications (Cambridge, England)","2010","46","3","398","400","10.1039/b921559j","","","0.71073","MoKα","","0.0501","0.035","","","0.0803","0.0872","","","","","","1.021","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105186","19.5589","0.0007","8.1704","0.0003","24.0587","0.0009","90","","90","","90","","3844.7","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C200 H176 O16 -","8","1","","Xiao, Yuanjing; Zhang, Junliang","Tetrasubstituted allenes by Pd0-catalyzed three-component tandem Michael addition/cross-coupling reaction.","Chemical communications (Cambridge, England)","2010","46","5","752","754","10.1039/b919060k","","","0.71073","MoKα","","0.0415","0.037","","","0.0924","0.0973","","","","","","1.054","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105196","20.627","0.002","22.087","0.003","30.628","0.004","90","","90","","90","","13953","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C71 H54 Cl12 Co2 N9 O -","- C71 H54 Cl12 Co2 N9 O -","- C568 H432 Cl96 Co16 N72 O8 -","8","1","","Askarizadeh, Elham; Yaghoob, Sahar Bani; Boghaei, Davar M; Slawin, Alexandra M Z; Love, Jason B","Tailoring dicobalt Pacman complexes of Schiff-base calixpyrroles towards dioxygen reduction catalysis.","Chemical communications (Cambridge, England)","2010","46","5","710","712","10.1039/b923189g","","","0.71073","MoKα","","0.2146","0.0981","","","0.2","0.2514","","","","","","0.985","","","","has coordinates,has disorder","180155","2020-10-21","18:00:00",""
"7105335","11.1316","0.0008","14.5857","0.0011","21.9255","0.0015","90","","90","","90","","3559.9","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Cl2 N3 -","- C21 H15 Cl2 N3 -","- C168 H120 Cl16 N24 -","8","1","","Maiti, Dilip K; Chatterjee, Nirbhik; Pandit, Palash; Hota, Sandip K","Generation of azomethine imine and metal-free formal 1,3-dipolar cycloaddition of imine with PhIO: reaction, scope, and synthesis.","Chemical communications (Cambridge, England)","2010","46","12","2022","2024","10.1039/b924761k","","","0.71073","MoKα","","0.0597","0.039","","","0.1246","0.1421","","","","","","0.962","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105345","13.5158","0.0018","18.242","0.002","18.874","0.002","90","","90","","90","","4653.5","0.9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Au Br2 F4 N3 O2 -","- C17 H24 Au Br2 F4 N3 O2 -","- C136 H192 Au8 Br16 F32 N24 O16 -","8","1","","Reeds, Jonathan P; Whitwood, Adrian C; Healy, Mark P; Fairlamb, Ian J S","Remarkable anion effects uncovered in the development of a Au(III)-catalyzed tandem nucleophilic substitution-1,5-enyne cycloisomerization process.","Chemical communications (Cambridge, England)","2010","46","12","2046","2048","10.1039/b925919h","","","0.71073","MoKα","","0.0502","0.043","","","0.0989","0.1011","","","","","","1.439","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105374","9.0084","0.0002","19.0142","0.0005","19.072","0.0005","90","","90","","90","","3266.8","0.14","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O7 -","- C16 H19 N O7 -","- C128 H152 N8 O56 -","8","1","","Xu, Zhen-Jiang; Zhu, Di; Zeng, Xiaofei; Wang, Fei; Tan, Bin; Hou, Yuxuan; Lv, Yunbo; Zhong, Guofu","Diastereoselective HOTf-catalyzed three-component one-pot 1,3-dipolar cycloaddition of alpha-diazo ester, nitrosobenzene and electron-deficient alkene.","Chemical communications (Cambridge, England)","2010","46","14","2504","2506","10.1039/b924575h","","","0.71073","MoKα","","0.0708","0.0463","","","0.1189","0.1353","","","","","","1.03","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105409","17.1642","0.0008","16.825","0.0008","12.4068","0.0006","90","","90","","90","","3582.9","0.3","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3,3-Trimethylspiro[indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine]","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Harada, Jun; Kawazoe, Yuta; Ogawa, Keiichiro","Photochromism of spiropyrans and spirooxazines in the solid state: low temperature enhances photocoloration","Chemical Communications","2010","46","15","2593","","10.1039/b925514a","","","0.71073","MoKα","","0.0852","0.0554","","","0.1347","0.1645","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105410","17.275","0.002","16.559","0.002","12.2061","0.0017","90","","90","","90","","3491.6","0.8","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3,3-Trimethylspiro[indoline-2,3'-[3H]naphth[2,1-b][1,4]oxazine]","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Harada, Jun; Kawazoe, Yuta; Ogawa, Keiichiro","Photochromism of spiropyrans and spirooxazines in the solid state: low temperature enhances photocoloration","Chemical Communications","2010","46","15","2593","","10.1039/b925514a","","","0.71073","MoKα","","0.0492","0.0448","","","0.1226","0.1284","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105424","7.7124","0.0004","19.8082","0.0009","20.3303","0.001","90","","90","","90","","3105.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","","Zhu, Yingguang; Zhai, Changwei; Yang, Liping; Hu, Wenhao","Copper(II)-catalyzed highly diastereoselective three-component reactions of aryl diazoacetates with alcohols and chalcones: an easy access to furan derivatives.","Chemical communications (Cambridge, England)","2010","46","16","2865","2867","10.1039/b924845e","","","0.71073","MoKα","","0.0559","0.0501","","","0.1258","0.1334","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105461","15.3835","0.0016","11.4337","0.0012","19.997","0.002","90","","90","","90","","3517.3","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N6 S -","- C19 H16 N6 S -","- C152 H128 N48 S8 -","8","1","","Bose, Purnandhu; Ghosh, Pradyut","Visible and near-infrared sensing of fluoride by indole conjugated urea/thiourea ligands.","Chemical communications (Cambridge, England)","2010","46","17","2962","2964","10.1039/b919128c","","","0.71073","MoKα","","0.0434","0.0361","","","0.0971","0.1029","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105574","11.7652","0.0002","7.1877","0.0002","17.1679","0.0003","90","","90","","90","","1451.8","0.05","","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Nelyubina, Yulia V.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","“Higher density does not mean higher stability” mystery of paracetamol finally unraveled","Chemical Communications","2010","46","20","3469","","10.1039/b927429d","","","0.71073","MoKα","","0.022","0.018","","","","0.021","","","","","","2.222","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105593","21.4667","0.0015","12.2495","0.0009","24.7299","0.0018","90","","90","","90","","6502.9","0.8","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H25 Co N6.5 O3 -","- C39 H25 Co N6.5 O3 -","- C312 H200 Co8 N52 O24 -","8","1","","Wu, Jin-Ji; Cao, Man-Li; Ye, Bao-Hui","Spontaneous chiral resolution of mer-[Co(II)(N,N,O-L3)2] enantiomers mediated by pi-pi interactions.","Chemical communications (Cambridge, England)","2010","46","21","3687","3689","10.1039/c002167a","","","0.71073","MoKα","","0.075","0.0531","","","0.1405","0.1624","","","","","","1.126","","","","has coordinates,has disorder","180159","2020-10-21","18:00:00",""
"7105653","7.7475","0.0004","14.4249","0.0008","34.686","0.002","90","","90","","90","","3876.4","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B I O2 S -","- C19 H22 B I O2 S -","- C152 H176 B8 I8 O16 S8 -","8","1","","Zhang, Hui-jun; Wei, Junnian; Zhao, Fei; Liang, Yun; Wang, Zitao; Xi, Zhenfeng","Selective synthesis of dibenzo[a,c]cyclooctatetraenes via palladium-catalyzed [4+4] cyclic homocoupling of borylvinyl iodobenzene derivatives.","Chemical communications (Cambridge, England)","2010","46","39","7439","7441","10.1039/c0cc02380a","","","0.71073","MoKα","","0.0536","0.047","","","0.0988","0.1024","","","","","","1.151","","","","has coordinates,has disorder","180160","2020-10-21","18:00:00",""
"7105701","19.5216","0.0006","21.1148","0.0006","21.3064","0.0007","90","","90","","90","","8782.4","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42.5 H40 B Cl3 F15 P -","- C42.5 H39 B Cl3 F15 P -","- C340 H312 B8 Cl24 F120 P8 -","8","1","","Jason Morton; Meghan Dureen; Douglas Stephan","Ring-Opening of Cyclopropanes by Frustrated Lewis Pairs","Chem.Commun.","2010","46","","8947","","10.1039/c0cc02862b","","","0.71073","MoKα","","0.0928","0.0601","","","0.159","0.183","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105747","7.3748","0.0002","10.0622","0.0002","25.6743","0.0008","90","","90","","90","","1905.21","0.09","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Br N -","- C23 H26 Br N -","- C92 H104 Br4 N4 -","4","0.5","","Wenbo Chen; Souad Elfeky; Yse Nonne; Louise Male; Kabir Ahmed; Claire Amiable; Philip Axe; Shinji Yamada; Tony James; Steven Bull; John Fossey","A Pyridinium Cation-I Interaction Sensor for the Fluorescent Detection of Alkyl Halides","Chem.Commun.","2011","47","","253","","10.1039/c0cc01420f","","","0.71073","MoKα","","0.0986","0.095","","","0.2009","0.202","","","","","","1.439","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105766","16.8522","0.0004","12.7158","0.0004","19.3676","0.0007","90","","90","","90","","4150.3","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Mg Na Si3 -","- C12 H33 Mg Na Si3 -","- C96 H264 Mg8 Na8 Si24 -","8","1","","Sharon Baillie; William Clegg; Pablo Garcia-Alvarez; Eva Hevia; Alan R. Kennedy; Jan Klett; Luca Russo","Synthesis and Characterization of an Infinite Sheet of Metal-Alkyl Bonds: Unfolding the Elusive Structure of an Unsolvated Alkali-Metal Trisalkylmagnesiate","Chem.Commun.","2011","47","","388","","10.1039/c0cc02164d","","","0.71073","MoKα","","0.0919","0.0361","","","0.0642","0.0707","","","","","","0.78","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105881","10.308","0.002","7.6365","0.0016","42.549","0.009","90","","90","","90","","3349.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F3 N2 -","- C22 H13 F3 N2 -","- C176 H104 F24 N16 -","8","1","","Jiangtao Zhu; Haibo Xie,; Zixian Chen; Shan Li; Yongming Wu","Synthesis of 6-trifluoromethylindolo[1,2-c]quinazolines and related heterocycles using N-(2-iodophenyl)trifluoroacetimidoyl chlorides as starting material via C–H bond functionalization","Chem.Commun.","2011","47","","1512","","10.1039/c0cc03197f","","","0.71073","MoKα","","0.1215","0.0684","","","0.1563","0.1698","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105897","10.1603","0.0007","7.3231","0.0005","15.872","0.0006","90","","90","","90","","1180.95","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","1","","Jinjing Li; Susan A. Bourne; Mino R. Caira","New polymorphs of the cocrystal formers isonicotinamide and nicotinamide","Chem.Commun.","2011","47","","1530","","10.1039/c0cc04117c","","","0.71073","MoKα","","0.0699","0.0453","","","0.096","0.1086","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105942","8.1377","0.0002","16.8436","0.0005","24.7285","0.0006","90","","90","","90","","3389.49","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N3 Pt -","- C19 H18 Cl N3 Pt -","- C152 H144 Cl8 N24 Pt8 -","8","1","","Alexander W. Garner; Caleb F. Harris; Dileep A. K. Vezzu; Robert D. Pike; Shouquan Huo","Solvent-Controlled Switch of Selectivity between sp2 and sp3 C-H Bond Activation by Platinum (II)","Chem.Commun.","2011","47","","1902","","10.1039/c0cc04581k","","","1.54178","CuKα","","0.0331","0.0323","","","0.0943","0.0949","","","","","","1.153","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105968","18.6001","0.0012","7.5076","0.0005","21.9761","0.0014","90","","90","","90","","3068.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Cu N4 O5 S -","- C12 H16 Cu N4 O5.37 S -","- C96 H128 Cu8 N32 O42.96 S8 -","8","1","","Sabbani Supriya; Samar K. Das","Solid-to-solid formation at the solid–liquid interface leading to a chiral coordination polymer from an achiral monomer","Chem.Commun.","2011","47","","2062","","10.1039/c0cc04375c","","","0.71073","MoKα","","0.0481","0.0401","","","0.087","0.0897","","","","","","1.097","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7106011","17.595","0.004","18.176","0.005","18.778","0.005","90","","90","","90","","6005","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H32 Br Cd N2 O11 -","- C25 H32 Br Cd N2 O11 -","- C200 H256 Br8 Cd8 N16 O88 -","8","1","","Xu-Hui Jin Jian-Ke Sun Li-Xuan Cai Jie Zhang","2D flexible metal-organic frameworks with [Cd2(u2-X)2](X = Cl or Br) units exhibiting selective fluorescence sensing for small molecules","Chem.Commun.","2011","47","","2667","","10.1039/c0cc04084c","","","0.71073","MoKα","","0.0824","0.0796","","","0.1595","0.1612","","","","","","1.092","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7106012","17.559","0.007","17.974","0.007","18.688","0.007","90","","90","","90","","5898","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H32 Cd Cl N2 O11 -","- C25 H32 Cd Cl N2 O11 -","- C200 H256 Cd8 Cl8 N16 O88 -","8","1","","Xu-Hui Jin Jian-Ke Sun Li-Xuan Cai Jie Zhang","2D flexible metal-organic frameworks with [Cd2(u2-X)2](X = Cl or Br) units exhibiting selective fluorescence sensing for small molecules","Chem.Commun.","2011","47","","2667","","10.1039/c0cc04084c","","","0.71073","MoKα","","0.0522","0.0437","","","0.1093","0.1159","","","","","","1.026","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7106028","18.7562","0.0001","25.4332","0.0001","53.9834","0.0003","90","","90","","90","","25751.7","0.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H55 B F25 Ir N2 -","- C65 H55 B F25 Ir N2 -","- C1040 H880 B16 F400 Ir16 N32 -","16","2","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.1052","0.0659","","0.1733","0.1526","0.1733","","","","","","0.9412","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106040","11.0431","0.0009","15.8867","0.0013","33.671","0.003","90","","90","","90","","5907.2","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H24 F6 N4 Os P -","- C32 H24 F6 N4 Os P -","- C256 H192 F48 N32 Os8 P8 -","8","1","","Ricardo Ceron-Camacho; Simon Hernandez; Ronan Le Lagadec; Alexander D. Ryabov","Cyclometalated [Os(C~N)x(N~N)3-x]^m+^ Mimetics of Tris(2,2'-bipyridine)osmium(II): Covering a 2 V Potencial Range by knwon (x = 0,1) and new (x = 3) species (C~N = o-2-phenylpiriinato)","Chem.Commun.","2011","47","","2823","","10.1039/c0cc04582a","","","0.71073","MoKα","","0.0736","0.0432","","","0.105","0.1215","","","","","","1","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106155","13.4491","0.0004","9.6202","0.0003","31.1212","0.001","90","","90","","90","","4026.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H52 B6 N8 -","- C42 H52 B6 N8 -","- C168 H208 B24 N32 -","4","0.5","","Xiaochen Xie; Mairi F. Haddow; Stephen M. Mansell; Nicholas C. Norman; Christopher A. Russell","New Polycyclic Borazine Species","Chem.Commun.","2011","47","","3748","","10.1039/c1cc10196j","","","1.54178","CuKα","","0.0481","0.0453","","","0.1142","0.1161","","","","","","1.093","","","","has coordinates","180165","2020-10-21","18:00:00",""
"7106213","11.2924","0.0004","15.4265","0.0007","25.3239","0.0011","90","","90","","90","","4411.5","0.3","100","","100","","","","","","","","LOC ETH Zurich","3","P b c a","-P 2ac 2ab","61","","","","- C27 H21 N7 -","- C27 H21 N7 -","- C216 H168 N56 -","8","1","","Govindasamy Jayamurugan; Jean-Paul Gisselbrecht; Corinne Boudon; Franziska Schoenebeck; W. Bernd Schweizer; Bruno Bernet; Francois Diederich","Expanding the chemical space for push-pull chromophores by non-concerted [2+2] and [4+2] cycloadditions: access to a highly functionalized 6,6-dicyanofulvene with an intense, low-energy charge-transfer band;","Chem.Commun.","2011","47","","4520","","10.1039/c1cc10247h","","","0.71073","MoKα","","0.0925","0.0699","","","0.1766","0.1882","","","","","","1.249","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106221","11.3085","0.0018","19.412","0.003","23.713","0.004","90","","90","","90","","5205.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H36 N4 O2 -","- C30 H36 N4 O2 -","- C240 H288 N32 O16 -","8","1","","Sanjeev P. Mahanta; B. Sathish Kumar; Pradeepta K. Panda","Meso-diacylated calix[4]pyrrole: Structural diversities and enhanced binding towards dihydrogenphosphate ion","Chem.Commun.","2011","47","","4496","","10.1039/c1cc10284b","","","0.71073","MoKα","","0.2978","0.0887","","","0.1303","0.1924","","","","","","0.945","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106281","12.345","0.0002","16.7408","0.0003","18.0363","0.0004","90","","90","","90","","3727.48","0.12","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C26 H60 Mg2 N8 Si4 -","- C26 H60 Mg2 N8 Si4 -","- C104 H240 Mg8 N32 Si16 -","4","0.5","","Benjamin M. Day; Natalie E. Mansfield; Martyn P. Coles; Peter B. Hitchcock","Bicyclic guanidinate compounds of magnesium and their activity as pre-catalysts in the Tishchenko reaction","Chem.Commun.","2011","47","","4995","","10.1039/c0cc04789a","","x-ray","0.71073","MoKα","","0.043","0.033","","","0.0818","0.0868","","","","","","1.08","","","","has coordinates,has disorder","180166","2020-10-21","18:00:00",""
"7106283","14.325","0.0011","12.745","0.0012","15.7313","0.0014","90","","90","","90","","2872.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H23 In O2 -","- C13 H23 In O2 -","- C104 H184 In8 O16 -","8","1","","Peckermann, Ilja; Raabe, Gerhard; Spaniol, Thomas P.; Okuda, Jun","Tris(allyl) indium compounds: synthesis and structural characterization","Chemical Communications (Cambridge, United Kingdom)","2011","47","17","5061","5063","10.1039/c1cc00039j","","","0.71073","MoKα","","0.0734","0.0295","","","0.0574","0.0676","","","","","","0.986","","","","has coordinates","210838","2020-10-21","18:00:00",""
"7106288","12.536","0.003","7.9916","0.0017","34.462","0.007","90","","90","","90","","3452.5","1.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","","Palash Sanphui; N. Rajesh Goud; U. B. Rao Khandavilli; Sreenu Bhanoth; Ashwini Nangia","New polymorphs of curcumin","Chem.Commun.","2011","47","","5013","","10.1039/c1cc10204d","","","0.71073","MoKα","","0.2681","0.0893","","","0.1125","0.1681","","","","","","0.93","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106306","21.631","0.005","7.5648","0.0012","22.783","0.004","90","","90","","90","","3728.1","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Cl N2 O3 -","- C22 H17 Cl N2 O3 -","- C176 H136 Cl8 N16 O24 -","8","1","","K. Siva Kumar; P. Mahesh Kumar; K. Anil Kumar; M. Sreenivasulu; Ahamed A. Jafar; D. Rambabu; G. Rama Krishna; C. Malla Reddy; Ravikumar Kapavarapu; K. Shivakumar; K. Krishna Priya; Kishore V. L. Parsa; Manojit Pal","A new three-component reaction: Green synthesis of novel isoindolo[2,1-a]quinazoline derivatives as potent inhibitors of TNF-a","Chem.Commun.","2011","47","","5010","","10.1039/c1cc10715a","","","0.71073","MoKα","","0.084","0.0523","","","0.1278","0.1509","","","","","","0.967","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106314","15.406","0.003","11.1729","0.0019","19.3","0.003","90","","90","","90","","3322.1","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C152 H152 N8 O24 -","8","1","","Zhongxuan Xu; Kun Huang; Tong Liu; Mingjin Xie; Hongbin Zhang","Synthesis of spirocyclic ?-keto-lactams: copper catalyzed process","Chem.Commun.","2011","47","","4923","","10.1039/c1cc10916b","","","0.71073","MoKα","","0.1621","0.066","","","0.126","0.1616","","","","","","1.01","","","","has coordinates","180167","2020-10-21","18:00:00",""
"7106389","22.3376","0.0017","18.7149","0.0014","23.471","0.0016","90","","90","","90","","9812","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C97 H106 Au8 F12 O P6 -","- C96 H102 Au8 F12 P6 -","- C384 H408 Au32 F48 P24 -","4","0.5","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Matti Haukka; Chun-Wei Shih; Pi-Tai Chou; Sergey P. Tunik; Tapani A. Pakkanen","Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic luminescence","Chem.Commun.","2011","47","","5533","","10.1039/c1cc11352f","","","0.71073","MoKα","","0.0735","0.0404","","","0.067","0.072","","","","","","0.879","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106390","22.3988","0.0012","18.9734","0.0011","23.7764","0.0013","90","","90","","90","","10104.5","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H102 Au8 F12 P6 -","- C96 H102 Au8 F12 P6 -","- C384 H408 Au32 F48 P24 -","4","0.5","","Igor O. Koshevoy; Chia-Li Lin; Antti J. Karttunen; Matti Haukka; Chun-Wei Shih; Pi-Tai Chou; Sergey P. Tunik; Tapani A. Pakkanen","Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic luminescence","Chem.Commun.","2011","47","","5533","","10.1039/c1cc11352f","","","0.71073","MoKα","","0.0691","0.0369","","","0.0689","0.0786","","","","","","1.033","","","","has coordinates,has disorder","180167","2020-10-21","18:00:00",""
"7106440","8.5222","0.0009","10.2842","0.0011","37.821","0.004","90","","90","","90","","3314.8","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl4 O14 U2 -","- C28 H16 Cl4 O14 U2 -","- C112 H64 Cl16 O56 U8 -","4","0.5","","N.P.Deifel; C.L.Cahill","Combining coordination and supramolecular chemistry for the formation of uranyl-organic hybrid materials","Chem.Commun.","2011","47","","6114","","10.1039/c1cc11116g","","","0.71073","MoKα","","0.0502","0.0371","","","0.0958","0.1124","","","","","","1.315","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106466","16.4918","0.0003","22.0793","0.0004","22.2875","0.0004","90","","90","","90","","8115.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C68 H64 N32 O33.5 -","- C68 H64 N32 O33.508 -","- C272 H256 N128 O134.032 -","4","0.5","","Barry Pemberton; Raushan Singh; Alexander C. Johnson; Steffen Jockusch; Jose Paulo Da Silva; Angel Ugrinov; Nicholas J. Turro; D. K. Srivastava; Jayaraman Sivaguru","Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin","Chem.Commun.","2011","47","","6323","","10.1039/c1cc11164g","","","1.54178","CuKα","","0.077","0.0705","","","0.1966","0.2084","","","","","","1.067","","","","has coordinates,has disorder","180168","2020-10-21","18:00:00",""
"7106548","9.1245","0.0005","10.4518","0.0005","24.8224","0.0011","90","","90","","90","","2367.2","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-Dibenz(b,f)azepine-5-carboxamide","5H-Dibenz(b,f)azepine-5-carboxamide","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","","Jean-Baptiste Arlin; Louise S. Price; Sarah L. Price; Alastair J. Florence","A strategy for producing predicted polymorphs: catemeric carbamazepine form V","Chem.Commun.","2011","47","","7074","","10.1039/c1cc11634g","","","1.5418","CuKα","","0.0872","0.045","","","0.0924","0.1018","","","","","","0.824","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106594","17.4108","0.0004","16.0201","0.0009","21.0923","0.0012","90","","90","","90","","5883.1","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H27 B10 Br N2 Pt -","- C27 H27 B10 Br N2 Pt -","- C216 H216 B80 Br8 N16 Pt8 -","8","1","","Anton M. Prokhorov; Pavel A. Slepukhin; Vladimir L. Rusinov; Valery N. Kalinin; Dmitry N. Kozhevnikov","2,2'-Bipyridinyl carboranes as B,N,N-ligands in cyclometallated complexes of platinum(II)","Chem.Commun.","2011","47","","7713","","10.1039/c1cc12230d","","","0.71073","MoKα","","0.0689","0.0255","","","0.0359","0.0373","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106623","9.166","0.002","17.124","0.004","23.657","0.005","90","","90","","90","","3713.2","1.4","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C168 H176 N16 O32 -","8","1","","Hiromitsu Maeda; Yoshitaka Terashima","Solvent-dependent supramolecular assemblies based on multiple noncovalent interactions such as hydrogen bonding and p-p stacking of p-conjugated anion-responsive acyclic oligopyrroles","Chem.Commun.","2011","47","","7620","","10.1039/c1cc12827b","","","0.71075","MoK?","","0.0547","0.0391","","","0.0935","0.1006","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106637","13.237","0.001","14.763","0.001","24.055","0.001","90","","90","","90","","4700.8","0.5","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 N4 O4 -","- C26 H28 N4 O4 -","- C208 H224 N32 O32 -","8","1","","Laurent El Kaim; Laurence Grimaud; Xavier-Frederic Le Goff; Luis D. Miranda; Martha Menes-Arzate","Straightforward four-component access to spiroindolines.","Chem. Commun.","2011","47","","8145","","10.1039/c1cc12236c","","","0.71069","MoKα","","0.0755","0.0555","","","0.1322","0.1465","","","","","","1.031","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106666","15.3486","0.0014","15.1069","0.0017","18.343","0.0019","90","","90","","90","","4253.2","0.8","293","","293","","","","130","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-4","","","- C15 H19 N9 O Zn2 -","- C15 H19 N9 O Zn2 -","- C120 H152 N72 O8 Zn16 -","8","1","","Thomas Bennett; Petra Simoncic; Stephen Moggach; Fabia Gozzo; Piero Macchi; David Keen; Jin-Chong Tan; Tony Cheetham","Reversible pressure-induced amorphization of a zeolitic imidazolate framework (ZIF-4)","Chem.Commun.","2011","47","","7983","","10.1039/c1cc11985k","","x-ray","0.71073","MoKα","","0.181","0.0559","","0.2249","0.0946","0.2249","","","","","","0.8034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106695","14.9722","0.0003","14.3214","0.0003","32.18","0.0007","90","","90","","90","","6900.1","0.3","298","2","298","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C31 H43 Cl2 O P3 Pd -","- C31 H43 Cl2 O P3 Pd -","- C248 H344 Cl16 O8 P24 Pd8 -","8","1","","Eric J. Derrah; Sonia Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Original Phenyl-P(O) Bond Cleavage at Palladium(0): a Combined Experimental and Computational Study","Chem. Commun.","2011","47","","8611","","10.1039/c1cc12477c","","x-ray","0.71073","MoKα","","0.0789","0.0492","","","0.1089","0.1243","","","","","","1.083","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106729","16.5673","0.0004","18.2209","0.0005","22.5867","0.0007","90","","90","","90","","6818.3","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H40 I3 N2 O3 Si4 U -","- C18 H40 I3 N2 O3 Si4 U -","- C144 H320 I24 N16 O24 Si32 U8 -","8","1","","Olivier Benaud; Jean-Claude Berthet; Pierre Thuery; Michel Ephritikhine","Towards high-valent uranium compounds from metallacyclic uranium(IV) precursors","Chem.Commun.","2011","47","","9057","","10.1039/c1cc13112e","","","0.71073","MoKα","","0.0809","0.0507","","","0.1315","0.1425","","","","","","1.03","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106767","14.226","0.002","19.13","0.003","19.557","0.004","90","","90","","90","","5322.3","1.6","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H68 B2 Cl0 F4 N4 O6 -","- C60 H68 B2 F4 N4 O6 -","- C240 H272 B8 F16 N16 O24 -","4","0.5","","Hiromitsu Maeda; Kanako Kitaguchi; Yohei Haketa","Anion-responsive covalently linked and metal-ridged oligomers","Chem.Commun.","2011","47","","9342","","10.1039/c1cc12822a","","","0.71075","MoK_a","","0.0871","0.0498","","","0.1131","0.129","","","","","","1.033","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106777","12.923","0.0007","7.439","0.0012","30.766","0.002","90","","90","","90","","2957.7","0.5","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Eliska Matousova; Ales Ruzicka; Jiri Kunes; Jarmila Kralova; Milan Pour","TFP as a ligand in Au(I)-catalyzed dihydropyran synthesis. Unprecedented rearrangement of dihydropyrans into cyclopentenones","Chem.Commun.","2011","47","","9390","","10.1039/c1cc13525b","","","0.71073","MoKα","","0.0853","0.0548","","","0.1065","0.1215","","","","","","1.14","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106815","15.596","0.003","14.935","0.003","20.531","0.004","90","","90","","90","","4782.2","1.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-(2-chlorophenylthio)-3-methyl-2-cyclohexenone","2-(2-chlorophenylthio)-3-methyl-2-cyclohexenone","","- C13 H13 Cl O S -","- C13 H13 Cl O S -","- C208 H208 Cl16 O16 S16 -","16","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0463","0.0393","","","0.093","0.0969","","","","","","1.063","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106816","15.73","0.005","15.142","0.005","20.59","0.006","90","","90","","90","","4904","3","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-(2-bromophenylthio)-3-methyl-2-cyclohexenone","2-(2-bromophenylthio)-3-methyl-2-cyclohexenone","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C208 H208 Br16 O16 S16 -","16","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0525","0.0345","","","0.0771","0.0839","","","","","","1.014","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106819","15.8902","0.0004","15.2239","0.0003","20.654","0.0005","90","","90","","90","","4996.4","0.2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","mixed crystal","mixed crystal","","- C26 H26 Br Cl O2 S2 -","- C26 H26 Br Cl O2 S2 -","- C208 H208 Br8 Cl8 O16 S16 -","8","1","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0889","0.0413","","","0.0969","0.1068","","","","","","0.815","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106820","15.591","0.003","15.064","0.003","20.669","0.004","90","","90","","90","","4854.4","1.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27.18 H29.54 Br0.82 O2 S2 -","- C27.1806 H29.5418 Br0.8194 O2 S2 -","- C217.445 H236.334 Br6.5552 O16 S16 -","8","1","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0574","0.0464","","","0.1092","0.1129","","","","","","1.112","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106821","15.5798","0.0004","15.0633","0.0004","20.6424","0.0005","90","","90","","90","","4844.4","0.2","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","mixed crystal","mixed crystal","","- C13.9 H15.7 Br0.1 O S -","- C13.9 H15.7 Br0.1 O S -","- C222.4 H251.2 Br1.6 O16 S16 -","16","2","","Ryo Sekiya; Reiko Kuroda","Controlling stereoselectivity of solid-state photoreactions by co-crystal formation","Chem.Commun.","2011","47","","10097","","10.1039/c1cc13484a","","x-ray","0.71073","MoKα","","0.0653","0.0517","","","0.1215","0.1273","","","","","","1.193","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106930","23.49","0.005","16.875","0.003","24.537","0.005","90","","90","","90","","9726","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C100 H160 Cu2 N8 O12 -","- C100 H160 Cu2 N8 O12 -","- C400 H640 Cu8 N32 O48 -","4","0.5","","Maria Castellano; Jesus Ferrando-Soria; Emilio Pardo; Miguel Julve; Francesc Lloret; Corine Mathoniere; Jorge Pasan; Catalina Ruiz-Perez; Laura Canadillas-Delgado; Rafael Ruiz-Garcia; Joan Cano","Photoswitching of the antiferromagnetic coupling in an oxamato-based dicopper(II) anthracenophane","Chem.Commun.","2011","47","","11035","","10.1039/c1cc15087a","","x-ray","0.738","synchrotron","","0.0695","0.0641","","","0.1804","0.1918","","","","","","0.957","","","","has coordinates,has disorder","180173","2020-10-21","18:00:00",""
"7107008","9.346","0.006","23.25","0.015","33.59","0.02","90","","90","","90","","7299","8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C352 H320 N48 O32 -","8","1","","Srinu Tothadi; Arijit Mukherjee; Gautam R. Desiraju","Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering","Chem.Commun.","2011","47","","12080","","10.1039/c1cc14567c","","","0.71073","MoKα","","0.1216","0.0996","","","0.2561","0.2708","","","","","","1.186","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107014","15.568","0.0007","11.9747","0.0005","35.0893","0.0018","90","","90","","90","","6541.4","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H40 N7 O3 S -","- C31 H32 N7 O2 S -","- C248 H256 N56 O16 S8 -","8","1","","Nichole P. H. Tan; Michelle K. Taylor; Steven E. Bottle; Christine E. Wright; James Ziogas; Jonathan M. White; Carl H. Schiesser; Nitya V. Jani","Novel Paramagnetic AT1 Receptor Antagonists","Chem.Commun.","2011","47","","12083","","10.1039/c1cc14920b","","","1.5418","CuKα","","0.1058","0.0475","","","0.09","0.0998","","","","","","0.712","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107015","27.574","0.003","13.8942","0.0017","44.874","0.006","90","","90","","90","","17192","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H38 I6 N12 O0 Zn3 -","- C56 H38 I6 N12 Zn3 -","- C448 H304 I48 N96 Zn24 -","8","1","","Yasuhide Inokuma; Satoshi Nishiguchi; Koki Ikemoto; Makoto Fujita","Shedding light on hidden reaction pathways in radical polymerization by a porous coordination network","Chem.Commun.","2011","47","","12113","","10.1039/c1cc15053g","","","0.71073","MoKα","","0.0939","0.0804","","","0.1978","0.2084","","","","","","0.616","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7107078","12.7459","0.0015","12.77","0.0013","23.352","0.003","90","","90","","90","","3800.9","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 B F2 N3 -","- C20 H22 B F2 N3 -","- C160 H176 B8 F16 N24 -","8","1","","Dhiraj Murale; Kang Mun Lee; Kibong Kim; David G. Churchill","Facile 'one pot' route to the novel benzazulene-type dye class: asymmetric, derivatizable, 5-7-6 fused ring puckered half BODIPY design","Chem.Commun.","2011","47","","12512","","10.1039/c1cc15433h","","","0.71073","MoKα","","0.1461","0.0539","","","0.1215","0.174","","","","","","1.017","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107084","9.9499","0.0006","11.0634","0.0005","19.3835","0.0009","90","","90","","90","","2133.73","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Fe N4 O2 -","- C24 H18 Fe N4 O2 -","- C96 H72 Fe4 N16 O8 -","4","0.5","","Lihong Li; Guy J. Clarkson; David J. Evans; Martin R. Lees; Scott S. Turner; Peter Scott","Isomeric Fe(II) MOFs: from a diamond-framework spin-crossover material to a 2D hard magnet","Chem.Commun.","2011","47","","12646","","10.1039/c1cc15574a","","","1.54178","CuKα","","0.1027","0.083","","","0.1831","0.1936","","","","","","1.177","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107130","34.541","0.002","9.5379","0.0007","7.8246","0.0006","90","","90","","90","","2577.8","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H26 O4 -","- C36 H26 O4 -","- C144 H104 O16 -","4","0.5","","Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu","Oxygen bridged neutral annulenes: a novel class of materials for organic field-effect transistors","Chem.Commun.","2012","48","","121","","10.1039/c1cc16344b","","","0.71073","MoKα","","0.1091","0.0418","","","0.0776","0.0872","","","","","","0.813","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107131","12.808","0.003","12.205","0.002","15.019","0.003","90","","90","","90","","2347.8","0.8","105","2","105","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 B2 F4 N4 -","- C28 H24 B2 F4 N4 -","- C112 H96 B8 F16 N16 -","4","0.5","","Matthew T. Whited; Niral Patel; Sean T. Roberts; Peter I. Djurovich; Stephen E. Bradforth; Mark E. Thompson","Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads","Chem.Commun.","2012","48","","284","","10.1039/c1cc12260f","","","0.71073","MoKα","","0.1215","0.0571","","","0.0838","0.0926","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107136","8.9125","0.001","13.3287","0.0015","19.424","0.002","90","","90","","90","","2307.4","0.4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C112 H160 O16 -","8","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","0.0593","0.0564","","","0.1546","0.157","","","","","","1.147","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107139","8.5343","0.0009","12.8315","0.0014","19.306","0.002","90","","90","","90","","2114.2","0.4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","0.0464","0.0447","","","0.1122","0.1138","","","","","","1.069","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107140","8.9596","0.0005","14.2109","0.0006","18.8285","0.0007","90","","90","","90","","2397.32","0.19","299.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C112 H160 O16 -","8","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","","0.0521","","","","0.0548","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107170","12.8719","0.0017","9.8278","0.0013","32.197","0.004","90","","90","","90","","4073","0.9","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C184 H208 O56 -","8","1","","Amol M. Vibhute; Rajesh G. Gonnade; R. S. Swathi; Kana M. Sureshan","Strength from weakness: opportunistic CH - O hydrogen bonds differentially dictate the conformational fate in solid and solution states","Chem.Commun.","2012","48","","717","","10.1039/c1cc15051k","","","0.71073","MoKα","","0.1337","0.1224","","","0.2242","0.2291","","","","","","1.377","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107184","21.9609","0.0004","22.9148","0.0002","32.8557","0.0005","90","","90","","90","","16534","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H42 Dy2 F36 O18 S4 -","- C60 H42 Dy2 F36 O18 S4 -","- C480 H336 Dy16 F288 O144 S32 -","8","1","","Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab","A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge","Chem.Commun.","2012","48","","714","","10.1039/c1cc16314k","","","0.71073","MoKα","","0.0881","0.0507","","","0.1392","0.1756","","","","","","1.115","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107220","25.0873","0.001","16.7913","0.0007","26.7582","0.0011","90","","90","","90","","11271.8","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50.5 H66.75 N2.25 O15 S4 V -","- C50.5 H66 N2.25 O15 S4 V -","- C404 H528 N18 O120 S32 V8 -","8","1","","Carl Redshaw; Mark R. J. Elsegood; Joseph A. Wright; Hugo Baillie-Johnson; Takehiko Yamato; Stephen De Giovanni; Anja Mueller","Cellular uptake of a fluorescent vanadyl sulfonylcalix[4]arene","Chem.Commun.","2012","48","","1129","","10.1039/c2cc16480a","","","0.71073","MoKα","","0.0645","0.0496","","","0.1361","0.1483","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107230","14.8703","0.0004","15.7929","0.0004","26.5312","0.0007","90","","90","","90","","6230.7","0.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C27 H38 F3 N O3 P Pd S Si -","- C27 H38 F3 N O3 P Pd S Si -","- C216 H304 F24 N8 O24 P8 Pd8 S8 Si8 -","8","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0245","0.0208","","","0.0534","0.0556","","","","","","1.056","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107231","18.097","0.003","16.248","0.002","19.608","0.003","90","","90","","90","","5765.5","1.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl N P2 Pt Si -","- C26 H44 Cl N P2 Pt Si -","- C208 H352 Cl8 N8 P16 Pt8 Si8 -","8","1","","Adam J. Ruddy; Samuel Mitton; Robert McDonald; Laura Turculet","'Hemilabile' silyl pincer ligation: platinum group PSiN complexes and triple C-H activation to form a (PSiC)Ru carbene complex","Chem.Commun.","2012","48","","1159","","10.1039/c2cc16751d","","","0.71073","MoKα","","0.0293","0.0241","","","0.0526","0.0543","","","","","","1.116","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107253","14.2434","0.0015","18.594","0.002","27.175","0.003","90","","90","","90","","7197.1","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C35 H45 N2 O5 Si W -","- C35 H45 N2 O5 Si W -","- C280 H360 N16 O40 Si8 W8 -","8","1","","SM Ibrahim Al-Rafia; Adam C. Malcolm; Robert McDonald; Michael J. Ferguson; Eric Rivard","Efficient generation of stable adducts of Si(II) dihydride","Chem.Commun.","2012","48","","1308","","10.1039/c2cc17101e","","","0.71073","MoKα","","0.1119","0.085","","","0.2093","0.2254","","","","","","1.162","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107361","21.033","0.01","14.212","0.007","22.672","0.011","90","","90","","90","","6777","6","291","2","291","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H37 B10 Cl2 Ir N2 O3 S2 -","- C21 H37 B10 Cl2 Ir N2 O3 S2 -","- C168 H296 B80 Cl16 Ir8 N16 O24 S16 -","8","1","","Wei Zhong; Mingshi Xie; Qibai Jiang; Yizhi Li; Hong Yan","Unprecedented C-C and C-S Bond Formation via C-H Activation or Group Migration in the Reactions of Cp*IrS2C2B10H10 and Aryl Azides","Chem.Commun.","2012","48","","2152","","10.1039/c2cc16943f","","","0.71073","MoKα","","0.0766","0.0443","","","0.1086","0.1213","","","","","","1.051","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107391","14.653","0.003","7.9432","0.0018","23.492","0.005","90","","90","","90","","2734.3","1","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Gen-Qiang Chen; Xiang-Ying Tang; Min Shi","HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes","Chem.Commun.","2012","48","","2340","","10.1039/c2cc17581a","","","0.71073","MoKα","","0.1024","0.059","","","0.1234","0.1411","","","","","","1.052","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107403","16.8291","0.0006","16.4962","0.0006","29.6189","0.001","90","","90","","90","","8222.7","0.5","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 Cl4 Fe4 N4 O8 -","- C32 H48 Cl4 Fe4 N4 O8 -","- C256 H384 Cl32 Fe32 N32 O64 -","8","1","","Francesco Piga; Fabrizio Moro; Itana Krivokapic; Alexander J. Blake; Ruth Edge; Eric J. L. McInnes; Fernando Luis; Marco Evangelisti; David J. Evans; Jonathan McMaster; Joris van Slageren","Magnetic properties of a novel family of ferrous cubanes","Chem.Commun.","2012","48","","2430","","10.1039/c2cc16853g","","","0.71073","MoKα","","0.0337","0.0295","","","0.0729","0.0757","","","","","","1.034","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107411","32.301","0.007","11.246","0.002","36.097","0.007","90","","90","","90","","13112","4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C101 H50 N2 O5 -","- C97.35 H44.0855 N2 O5 -","- C778.8 H352.684 N16 O40 -","8","1","","Liangbing Gan; Shuming Liu; Yuanhua Shao","Synthesis of a green [60]fullerene derivative through cage-opening reactions","Chem.Commun.","2012","48","","2531","","10.1039/c2cc17164c","","","0.71073","MoKα","","0.0871","0.0735","","","0.2215","0.236","","","","","","1.068","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107434","15.881","0.0003","14.7548","0.0003","17.2786","0.0003","90","","90","","90","","4048.74","0.13","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H22 B Cu F4 N4 -","- C20 H22 B Cu F4 N4 -","- C160 H176 B8 Cu8 F32 N32 -","8","1","","Gojko Buncic; Zhiguang Xiao; Simon C. Drew; Jonathan M. White; Anthony G. Wedd; Paul S. Donnelly","Copper complexes of a novel non-innocent quadridentate ligand","Chem.Commun.","2012","48","","2570","","10.1039/c2cc16658e","","","1.54184","CuKα","","0.0487","0.0453","","","0.1218","0.1243","","","","","","1.025","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107465","20.1847","0.0014","20.4366","0.0013","20.6242","0.0014","90","","90","","90","","8507.6","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C80 H120 N8 Nb2 -","- C80 H120 N8 Nb2 -","- C320 H480 N32 Nb8 -","4","0.5","","Alexander R. Fox; Christopher C. Cummins","A highly reduced cyanogen ligand derived from cyanide reductive coupling","Chem.Commun.","2012","48","","3061","","10.1039/c2cc17212g","","","0.71073","MoKα","","0.0672","0.0459","","","0.1013","0.1091","","","","","","1.089","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107479","13.4362","0.0014","29.6111","0.0012","37.4139","0.0018","90","","90","","90","","14885.5","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H109 Co8 N6 O90 -","- C90 H109 Co8 N6 O90 -","- C360 H436 Co32 N24 O360 -","4","0.5","","Zhi-Guo Gu; Xin-Xin Xu; Wen Zhou; Chun-Yan Pang; Fei-Fei Bao; Zaijun Li","A new type of entangled coordination network: coexistence of polythreading and polyknotting involved molecular braids","Chem.Commun.","2012","48","","3212","","10.1039/c2cc17821d","","","0.71073","MoKα","","0.0908","0.0503","","","0.1145","0.1447","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7107535","12.3714","0.0004","10.18","0.0003","20.735","0.0006","90","","90","","90","","2611.38","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","1","","Jiangling Peng; Lanying Liu; Ziwei Hu; Jinbo Huang; Qiang Zhu","Direct carboxamidation of indoles by palladium-catalyzed C-H activation and isocyanide insertion","Chem.Commun.","2012","48","","3772","","10.1039/c2cc30351e","","","1.54184","CuKα","","0.0598","0.0421","","","0.1086","0.1224","","","","","","1.064","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107575","13.3925","0.0014","10.8664","0.0012","22.61","0.002","90","","90","","90","","3290.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cl N O4 -","- C18 H14 Cl N O4 -","- C144 H112 Cl8 N8 O32 -","8","1","","Bidyut Kumar Dinda; Amit Kumar Jana; Dipakranjan Mal","Anionic [4+3] heteroannulation of 2-azidoacrylates: A direct synthesis of 2-benzazepin-1-ones","Chem.Commun.","2012","48","","3999","","10.1039/c2cc30279a","","","0.71073","MoKα","","0.1243","0.0508","","","0.1035","0.1425","","","","","","0.901","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107622","19.2649","0.0002","20.4622","0.0003","26.949","0.0004","90","","90","","90","","10623.4","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H75 B Mg N2 O4 -","- C61 H75 B Mg N2 O4 -","- C488 H600 B8 Mg8 N16 O32 -","8","1","","Merle Arrowsmith; Terrance J. Hadlington; Michael S. Hill; Gabriele Kociok-Kohn","Magnesium-catalysed hydroboration of aldehydes and ketones","Chem.Commun.","2012","48","","4567","","10.1039/c2cc30565h","","","0.71073","MoKα","","0.0893","0.0543","","","0.1281","0.1465","","","","","","1.08","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107670","12.0102","0.0002","13.7886","0.0003","20.7109","0.0004","90","","90","","90","","3429.8","0.11","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(1-Benzyl-4-(dimethoxymethyl)-1,4-dihydropyridine-3,5-diyl)diethanone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","x-ray","0.71073","MoKα","K-L~3~","0.048","0.0355","","","0.0877","0.0941","","","","","","1.028","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107729","16.8528","0.0006","19.2437","0.0005","20.3447","0.0005","90","","90","","90","","6598","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H59 N4 Na O2 Zn -","- C28 H59 N4 Na O2 Zn -","- C224 H472 N32 Na8 O16 Zn8 -","8","1","","Jennifer A. Garden; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Ambient temperature zincation of N-Boc pyrrolidine and its solvent dependency","Chem.Commun.","2012","48","","5265","","10.1039/c2cc31793a","","","0.71073","MoKα","","0.0816","0.0425","","","0.0819","0.0949","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107858","14.973","0.003","12.682","0.002","20.506","0.003","90","","90","","90","","3893.8","1.1","91","2","91","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 Cu4 N10 O11 -","- C34 H36 Cu4 N10 O11 -","- C136 H144 Cu16 N40 O44 -","4","0.5","","Nicholas G. White; Jonathan A. Kitchen; John A. Joule; Sally Brooker","Copper-induced N-N bond cleavage results in an octanuclear expanded-core grid-like complex","Chem.Commun.","2012","48","","6229","","10.1039/c2cc32018e","","","0.71073","MoKα","","0.1108","0.0676","","","0.1431","0.1674","","","","","","1.025","","","","has coordinates,has disorder","180182","2020-10-21","18:00:00",""
"7107871","24.0493","0.0016","21.2442","0.0013","11.3248","0.0005","90","","90","","90","","5785.9","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O6 S2 -","- C30 H32 N4 O6 S2 -","- C240 H256 N32 O48 S16 -","8","1","","Nicholas J. W. Rattray; Waleed A. Zalloum; David Mansell; Joe Latimer; Carl H. Schwalbe; Alexander J. Blake; Elena V. Bichenkova; Sally Freeman","Fluorescent probe for detection of bacteria: conformational trigger upon bacterial reduction of an azo bridge","Chem.Commun.","2012","48","","6393","","10.1039/c2cc32521g","","","0.7107","MoKα","","0.1376","0.073","","","0.1781","0.2199","","","","","","1.039","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107995","8.773","0.0001","23.8938","0.0004","30.215","0.0005","90","","90","","90","","6333.68","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H55 O P Si -","- C35 H55 O P Si -","- C280 H440 O8 P8 Si8 -","8","1","","Christopher B. Lavery; Robert McDonald; Mark Stradiotto","Efficient palladium-catalyzed synthesis of substituted indoles employing a new (silanyloxyphenyl)phosphine ligand","Chem.Commun.","2012","48","","7277","","10.1039/c2cc33071g","","","1.54178","CuKα","","0.0414","0.0371","","","0.1012","0.1057","","","","","","1.035","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108072","16.2578","0.0008","8.2615","0.0004","28.7208","0.0015","90","","90","","90","","3857.6","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H21 N -","- C27 H21 N -","- C216 H168 N8 -","8","1","","Kai Chen; Zhen Zhang; Yin Wei; Min Shi","Thermally induced [3+2] cyclization of aniline-tethered alkylidenecyclopropanes: a facile synthetic protocol of pyrrolo[1,2-a]indoles","Chem.Commun.","2012","48","","7696","","10.1039/c2cc33269h","","","0.71073","MoKα","","0.057","0.0433","","","0.108","0.1165","","","","","","1.03","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108097","14.423","0.0019","6.1054","0.0008","30.487","0.004","90","","90","","90","","2684.6","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Hailong Yang; Peng Sun; Yan Zhu; Hong Yan; Linhua Lu; Xiaoming Qu; Tingyi Li; Jincheng Mao","Copper-catalyzed decarboxylative C(sp2)-C(sp3) coupling reactions via radical mechanism","Chem.Commun.","2012","48","","7847","","10.1039/c2cc33203e","","","0.71073","MoKα","","0.0555","0.0402","","","0.0991","0.1051","","","","","","1.042","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108166","17.7471","0.0001","31.6276","0.0002","48.1971","0.0002","90","","90","","90","","27052.9","0.3","153","2","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 Ge N9 O36 W10 -","- C102 Ge N9 O36 W10 -","- C816 Ge8 N72 O288 W80 -","8","1","","Kosei Sugahara; Toshihiro Kimura; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno","A highly negatively charged Y-Keggin germanodecatungstate efficient for Knoevenagel condensation","Chem.Commun.","2012","48","67","8422","8424","10.1039/c2cc33839d","","x-ray","0.71069","MoKα","","","0.0866","","","","0.2543","","","","","","1.271","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108245","18.633","0.006","17.515","0.005","25.292","0.008","90","","90","","90","","8254","4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H44 Co O -","- C56 H44 Co O -","- C448 H352 Co8 O8 -","8","1","","Benjamin M. Gridley; Alexander J. Blake; Adrienne L. Davis; William Lewis; Graeme J. Moxey; Deborah L. Kays","Low-coordinate cobalt(II) terphenyl complexes: precursors to sterically encumbered ketones","Chem.Commun.","2012","48","","8910","","10.1039/c2cc34525k","","","0.71073","MoKα","","0.0956","0.0627","","","0.128","0.141","","","","","","1.05","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108278","16.6967","0.0011","18.366","0.0012","18.5592","0.0012","90","","90","","90","","5691.2","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F3 N2 O3 S -","- C29 H33 F3 N2 O3 S -","- C232 H264 F24 N16 O24 S8 -","8","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.086","0.0521","","","0.1317","0.1532","","","","","","1.023","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108327","11.8524","0.0008","19.2981","0.0011","21.5647","0.0016","90","","90","","90","","4932.5","0.6","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H37 B10 N P2 -","- C18 H37 B10 N P2 -","- C144 H296 B80 N8 P16 -","8","1","","Evamarie Hey-Hawkins; Peter Lonnecke; Anika Kreienbrink; Matthias Findeisen","Endocyclic P-P bond cleavage in carbaborane-substituted 1,2-diphosphetane ‒ A new route to secondary phosphinocarbaboranes","Chem.Commun.","2012","48","","9385","","10.1039/c2cc34860h","","","0.71073","MoKα","","0.1788","0.0759","","","0.1504","0.1942","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7108332","12.491","0.002","9.1019","0.0017","30.464","0.006","90","","90","","90","","3463.5","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C136 H184 N8 O32 S8 -","8","1","","Ryan M. Gorman; Marc A. Little; James A. Morris; Visuvanathar Sridharan","Rhodium-catalysed isomerisation/formal 1,3-dipolar cycloaddition cascades to fused-ring heterocycles","Chem.Commun.","2012","48","","9537","","10.1039/c2cc35372e","","","0.71073","MoKα","","0.0618","0.0552","","","0.151","0.1581","","","","","","1.043","","","","has coordinates,has disorder","180187","2020-10-21","18:00:00",""
"7108351","11.671","0.007","19.299","0.012","21.86","0.014","90","","90","","90","","4924","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl N O Rh -","- C29 H27 Cl N O Rh -","- C232 H216 Cl8 N8 O8 Rh8 -","8","1","","Jun Zhang; Jun Fu; Xiaolong Su; Xinke Qin; Meixin Zhao; Min Shi","Abnormal oxazol-4-ylidene and thiazol-4-ylidene rhodium complexes: synthesis, structure, and properties","Chem.Commun.","2012","48","","9625","","10.1039/c2cc35020c","","","0.71073","MoKα","","0.0608","0.0316","","","0.0671","0.0742","","","","","","0.901","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108383","15.845","0.002","9.1061","0.0013","32.832","0.004","90","","90","","90","","4737.2","1.1","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 I3 N2 O6 S2 -","- C15 H21 I3 N2 O6 S2 -","- C120 H168 I24 N16 O48 S16 -","8","1","","Fucke, Katharina; Howard, Judith; Steed, Jonathan","Overcoming the solvation shell during the crystallisation of diatrizoic acid from dimethylsulfoxide","Chemical Communications (Cambridge, United Kingdom)","2012","48","99","12065","12067","10.1039/c2cc35995b","","x-ray","0.71073","MoKα","K-L~3~","0.1695","0.0522","","","0.1036","0.1369","","","","","","0.855","","","","has coordinates","210824","2020-10-21","18:00:00",""
"7108389","7.5757","0.0001","11.7655","0.0002","30.9842","0.0005","90","","90","","90","","2761.68","0.07","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C128 H120 N24 O24 -","8","1","","Charlotte L. Sutherell; Sam Thompson; Richard T. W. Scott; Andrew D. Hamilton","Aryl-linked imidazolidin-2-ones as non-peptidic beta-strand mimetics","Chem.Commun.","2012","48","","9834","","10.1039/c2cc34791a","","","0.71073","MoKα","","0.0703","0.0545","","0.0639","0.0504","0.048","","","","","","1.0864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108431","28.076","0.002","16.5298","0.0013","7.16","0.0005","90","","90","","90","","3322.9","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 I O3 -","- C17 H21 I O3 -","- C136 H168 I8 O24 -","8","1","","Chenjie Zhu; Akira Yoshimura; Pavlo Solntsev; Lei Ji; Yunyang Wei; Victor N. Nemykin; Viktor V. Zhdankin","New highly soluble dimedone-derived iodonium ylides: preparation, X-ray structure, and reaction with carbodiimide leading to oxazole derivatives","Chem.Commun.","2012","48","","10108","","10.1039/c2cc35708a","","","0.71075","MoKα","","0.0462","0.0418","","0.0764","0.0762","0.0764","","","","","","1.2017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108448","25.3631","0.0009","20.7112","0.0007","28.6263","0.0009","90","","90","","90","","15037.4","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H105 N2 O17 S V4 -","- C62 H105 N2 O17 S V4 -","- C496 H840 N16 O136 S8 V32 -","8","1","","Samir Ghorai; Chandan Mukherjee","Ortho-substituent induced triradical-containing tetranuclear oxo-vanadium(IV) cluster formation via ligand C-N bond breaking and C-O bond making","Chem.Commun.","2012","48","","10180","","10.1039/c2cc35963d","","","0.71073","MoKα","","0.1128","0.0618","","","0.1365","0.1524","","","","","","1.274","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7108491","6.6841","0.0005","19.9101","0.0015","22.7748","0.0017","90","","90","","90","","3030.9","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C120 H112 N32 O32 -","8","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.0573","0.036","","","0.0836","0.0954","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108512","19.2272","0.0009","19.8419","0.001","20.2471","0.0009","90","","90","","90","","7724.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","HB026","","","- C49 H42 N4 O Zr -","- C49 H42 N4 O Zr -","- C392 H336 N32 O8 Zr8 -","8","1","","John Arnold; Heather Buckley; Penelope J. Brothers; Daniel Gryko","Synthesis of lithium corrole and its use as a reagent for the preparation of cyclopentadienyl zirconium and titanium corrole complexes","Chem.Commun.","2012","48","","10766","","10.1039/c2cc35984g","","","0.71073","MoKα","","0.0598","0.0354","","","0.0781","0.0886","","","","","","1.044","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108546","8.9306","0.0004","17.9709","0.0007","19.8097","0.0008","90","","90","","90","","3179.3","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C160 H160 O16 -","8","1","","Deepak B. Huple; Rai-Shung Liu","Gold-catalyzed diastereoselective [2+2+2]-cycloaddition of 1,7-enynes with carbonyl compounds","Chem.Commun.","2012","48","","10975","","10.1039/c2cc36219h","","","0.71073","MoKα","","0.1806","0.0731","","","0.1961","0.2528","","","","","","1.018","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108554","14.5775","0.0004","17.1584","0.0005","19.2207","0.0006","90","","90","","90","","4807.6","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H31 Co N3 Si2 -","- C22 H31 Co N3 Si2 -","- C176 H248 Co8 N24 Si16 -","8","1","","Skye Fortier; Octavio Gonzalez-del Moral; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola; Kenneth G. Caulton","Probing the redox non-innocence of dinuclear, three-coordinate Co(II) nindigo complexes: not simply beta-diketiminate variants","Chem.Commun.","2012","48","","11082","","10.1039/c2cc34560a","","","0.41328","Synchrotron","","0.087","0.0382","","0.1103","0.0901","0.1102","","","","","","0.9547","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108763","7.221","0.0014","17.001","0.003","23.199","0.005","90","","90","","90","","2848","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","1","","Qiwen Hou; Zhenhua Zhang; Fanji Kong; Shaozhong Wang; Huaqin Wang; Zhu-Jun Yao","Assembly of fused indenes via Au(I)-catalyzed C1-C5 cyclization of enediynes bearing an internal nucleophile","Chem.Commun.","2013","49","","695","","10.1039/c2cc36245g","","","0.71073","MoKα","","0.0781","0.0462","","","0.1045","0.1174","","","","","","1.004","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108773","20.86","0.0015","6.7273","0.0004","21.7338","0.0012","90","","90","","90","","3049.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl N O -","- C20 H12 Cl N O -","- C160 H96 Cl8 N8 O8 -","8","1","","Peng Sang; Ming Yu; Hangfei Tu; Jianwei Zou; Yuhong Zhang","Highly regioselective synthesis of fused seven-membered rings through copper-catalyzed cross-coupling","Chem.Commun.","2013","49","","701","","10.1039/c2cc37891d","","","0.71073","MoKα","","0.0521","0.0387","","","0.088","0.096","","","","","","1.057","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108952","9.474","0.0001","21.069","0.0002","22.635","0.0002","90","","90","","90","","4518.12","0.08","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 I N2 O4 -","- C23 H21 I N2 O4 -","- C184 H168 I8 N16 O32 -","8","1","","Stephen J. Heffernan; James M. Beddoes; Mary F. Mahon; Alan J. Hennessy; David R. Carbery","Gold-catalysed cascade rearrangements of ynamide propargyl esters","Chem.Commun.","2013","49","","2314","","10.1039/c3cc00273j","","","0.71073","MoKα","","0.0895","0.0768","","","0.2015","0.2137","","","","","","1.087","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7109029","12.4615","0.0006","13.4977","0.0005","17.2015","0.0007","90","","90","","90","","2893.3","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Cl2 N2 O4 -","- C14 H10 Cl2 N2 O4 -","- C112 H80 Cl16 N16 O32 -","8","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0426","0.0323","","","0.0693","0.0753","","","","","","1.036","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109038","12.808","0.0003","15.2538","0.0003","19.2266","0.0004","90","","90","","90","","3756.31","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Al -","- C20 H31 Al -","- C160 H248 Al8 -","8","1","","Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer","Reductive elimination: a pathway to low-valent aluminium species","Chem.Commun.","2013","49","","2858","","10.1039/c3cc38584a","","","1.54178","CuKα","","0.0713","0.0637","","","0.1589","0.1704","","","","","","1.056","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109085","7.323","0.0005","21.4026","0.0017","22.3514","0.0017","90","","90","","90","","3503.2","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.069","0.0436","","","0.1126","0.1309","","","","","","1.025","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109086","7.2592","0.0005","21.3199","0.0014","22.2954","0.0015","90","","90","","90","","3450.6","0.4","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.0673","0.0431","","","0.1099","0.1258","","","","","","1.016","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109087","7.2081","0.0004","21.2504","0.0013","22.2459","0.0013","90","","90","","90","","3407.5","0.3","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.0665","0.043","","","0.1086","0.1232","","","","","","1.031","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109088","7.1778","0.0004","21.207","0.0012","22.1861","0.0012","90","","90","","90","","3377.2","0.3","10","2","10","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.0771","0.0483","","","0.1118","0.1275","","","","","","1.031","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109096","27.3418","0.0006","32.3342","0.0007","30.4098","0.0006","90","","90","","90","","26884.6","1","100","2","100","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C100.5 H173 Cr7 F8 N Ni O33.5 S -","- C100.5 H173 Cr7.04 F8 N Ni1.04 O33.5 S -","- C804 H1384 Cr56.32 F64 N8 Ni8.32 O268 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.1143","0.0707","","","0.172","0.199","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109098","32.4921","0.0004","30.3746","0.0003","27.3877","0.0003","90","","90","","90","","27029.9","0.5","100","2","100","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C95 H163 Cr7 F8 N2 Ni O34 S -","- C95 H163 Cr7 F8 N2 Ni O34 S -","- C760 H1304 Cr56 F64 N16 Ni8 O272 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.1292","0.0857","","","0.2313","0.257","","","","","","1.217","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109101","30.2347","0.0012","27.492","0.001","32.197","0.0012","90","","90","","90","","26762.5","1.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C102 H176 Cr7 F8 N Ni O34 S -","- C102 H176 Cr7.04 F8 N Ni1.04 O34 S -","- C816 H1408 Cr56.32 F64 N8 Ni8.32 O272 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","","1.54178","CuKα","","0.1562","0.0972","","","0.215","0.2489","","","","","","1.011","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109106","17.0365","0.0003","15.9084","0.0003","19.5224","0.0003","90","","90","","90","","5291.03","0.16","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F N P Pt -","- C30 H35 F N P Pt -","- C240 H280 F8 N8 P8 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0805","0.0361","","","0.0722","0.085","","","","","","1.019","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109107","17.6094","0.0002","16.044","0.0002","19.7637","0.0002","90","","90","","90","","5583.74","0.11","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H31 F5 N P Pt -","- C30 H31 F5 N P Pt -","- C240 H248 F40 N8 P8 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0553","0.0294","","","0.07","0.0807","","","","","","1.032","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109196","15.9281","0.0017","16.791","0.003","29.68","0.002","90","","90","","90","","7937.9","1.7","100","","100","","","","","","","","Dichloromethane,ether","7","P b c a","-P 2ac 2ab","61","","","","- C31 H58 B2 Cl2 F8 N4 S -","- C31 H58 B2 Cl2 F8 N4 S -","- C248 H464 B16 Cl16 F64 N32 S8 -","8","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0959","0.0464","","","0.1007","0.1178","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109197","16.003","0.0006","16.9693","0.0007","29.6752","0.0012","90","","90","","90","","8058.6","0.6","100","","100","","","","","","","","dichloromethane,diethylether","7","P b c a","-P 2ac 2ab","61","","","","- C31 H58 B2 Cl2 F8 N4 Se -","- C31 H58 B2 Cl2 F8 N4 Se -","- C248 H464 B16 Cl16 F64 N32 Se8 -","8","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","1.54184","Cu-Kα","","0.0318","0.0301","","","0.0747","0.0756","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109199","15.536","0.002","18.1269","0.0015","32.831","0.004","90","","90","","90","","9245.9","1.8","100","","100","","","","","","","","dichlormethane,diethylether","8","P b c a","-P 2ac 2ab","61","","","","- C33 H58 Cl2 F6 N4 O6 S2 Te -","- C33 H58 Cl2 F6 N4 O6 S2 Te -","- C264 H464 Cl16 F48 N32 O48 S16 Te8 -","8","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0741","0.0559","","","0.1227","0.1299","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109232","21.0603","0.0007","24.5206","0.0008","29.5486","0.001","90","","90","","90","","15259.2","0.9","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H83.88 Al2 N8 O4 -","- C84 H83.884 Al2 N8 O4 -","- C672 H671.072 Al16 N64 O32 -","8","1","","Thomas W. Myers; Louise A. Berben","Redox active aluminium(III) complexes convert CO2 into MgCO3 or CaCO3 in a synthetic cycle using Mg or Ca metal","Chem.Commun.","2013","49","","4175","","10.1039/c2cc37208h","","","1.54178","CuKα","","0.0943","0.0844","","","0.2408","0.2498","","","","","","1.071","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109305","11.729","0.004","8.588","0.003","37.58","0.013","90","","90","","90","","3785","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","0.71073","MoKα","","0.1671","0.1009","","","0.2307","0.2534","","","","","","1.107","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109416","33.746","0.005","16.816","0.004","14.195","0.003","90","","90","","90","","8055","3","163","2","163","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C51 H47 O -","- C51 H45 O1.001 -","- C408 H360 O8.008 -","8","1","","Bradley L. Merner; Kiran Sagar Unikela; Louise N. Dawe; David W. Thompson; Graham J. Bodwell","1,1,n,n-tetramethyl[n](2,11)teropyrenophanes (n = 7-9): a series of armchair SWCNT segments","Chem.Commun.","2013","49","","5930","","10.1039/c3cc43268h","","","0.71075","MoKα","","0.1373","0.0765","","","0.1889","0.2169","","","","","","0.958","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109452","7.4341","0.0007","7.5723","0.0006","23.45","0.002","90","","90","","90","","1320.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C64 H40 O8 S8 -","4","0.5","","Ori Gidron; Neta Varsano; Linda J. W. Shimon; Gregory Leitus; Michael Bendikov","Study of a bifuran vs. bithiophene unit for the rational design of pi-conjugated systems. What have we learned?","Chem.Commun.","2013","49","","6256","","10.1039/c3cc41795f","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1019","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109471","20.0045","0.0002","14.64734","0.00018","21.3848","0.0003","90","","90","","90","","6266.02","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H7 F18 La N3 O7 S2 -","- C23 H7 F18 La N3 O7 S2 -","- C184 H56 F144 La8 N24 O56 S16 -","8","1","","Elisabeth M. Fatila; Rodolphe Clerac; Mathieu Rouzieres; Dmitriy V. Soldatov; Michael Jenningsd; Kathryn E. Preuss","Ferromagnetic superexchange in a 1D -[LaIII-radical]- coordination polymer","Chem.Commun.","2013","49","","6271","","10.1039/c3cc43267j","","","0.71073","MoKα","","0.0241","0.0205","","","0.051","0.0536","","","","","","1.043","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109602","10.4675","0.0007","12.2615","0.0008","19.3299","0.0011","90","","90","","90","","2480.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","DDJS-52","","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","","Animesh Sahana; Arnab Banerjee; Sisir Lohar; Sukanya Panja; Subhra Kanti Mukhopadhyay; Jesus Sanmartin Matalobos; Debasis Das","Fluorescence sensing of arsenate at nanomolar level in a greener way: naphthalene based probe for living cell imaging","Chem.Commun.","2013","49","","7231","","10.1039/c3cc43211d","","x-ray","0.71073","MoKα","","0.0671","0.0453","","","0.1101","0.1213","","","","","","1.063","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109628","11.5073","0.0005","20.3829","0.0009","27.0237","0.0012","90","","90","","90","","6338.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H59 B O Os P2 S -","- C27 H59 B O Os P2 S -","- C216 H472 B8 O8 Os8 P16 S8 -","8","1","","Miguel A. Esteruelas; Ana M. Lopez; Malka Mora; Enrique Onate","B-H activation and H-H formation: two consecutive heterolytic processes on an osmium-hydrogensulfide bond","Chem.Commun.","2013","49","","7543","","10.1039/c3cc44102d","","","0.71073","MoKα","","0.0318","0.0219","","","0.0495","0.0533","","","","","","1.034","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109800","14.7587","0.0018","18.933","0.003","19.809","0.003","90","","90","","90","","5535.2","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H42 B9 N2 O Ta -","- C21 H42 B9 N2 O Ta -","- C168 H336 B72 N16 O8 Ta8 -","8","1","","Li Xiang; Kazushi Mashima; Zuowei Xie","Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds","Chem.Commun.","2013","49","","9039","","10.1039/c3cc44446e","","","0.71073","MoKα","","0.0745","0.0512","","","0.1389","0.183","","","","","","1.299","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109997","19.297","0.002","14.3767","0.0017","24.546","0.003","90","","90","","90","","6809.7","1.4","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H38 N2 O5 -","- C42 H38 N2 O5 -","- C336 H304 N16 O40 -","8","1","","Daobin Yang; Qianqian Yang; Lin Yang; Qian Luo; Yan Huang; Zhiyun Lu; Suling Zhao","Novel high performance asymmetrical squaraines for small molecule organic solar cells with a high open circuit voltage of 1.12 V","Chem.Commun.","2013","49","","10465","","10.1039/c3cc46217j","","","0.71073","MoKα","","0.1119","0.0516","","","0.1304","0.1664","","","","","","0.983","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7110139","20.007","0.0002","21.336","0.0003","32.661","0.0002","90","","90","","90","","13942","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H100 N2 Na6 O10 -","- C70 H100 N2 Na6 O10 -","- C560 H800 N16 Na48 O80 -","8","1","","David M. Cousins; Matthew G. Davidson; Daniel Garcia-Vivo","Unprecedented participation of a four-coordinate hydrogen atom in the cubane core of lithium and sodium phenolates","Chem.Commun.","2013","49","","11809","","10.1039/c3cc47393g","","","0.71073","MoKα","","0.0791","0.0576","","","0.1528","0.1791","","","","","","1.034","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110161","10.2123","0.0002","9.9415","0.0002","19.0947","0.0004","90","","90","","90","","1938.6","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dimethylamine 4-hydroxybenzoate","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","","Sajesh P. Thomas; Mysore S. Pavan; T. N. Guru Row","Experimental evidence for 'carbon bonding' in the solid state from charge density analysis","Chem.Commun.","2013","50","","49","","10.1039/c3cc47226d","","x-ray","0.71073","MoKα","","0.063","0.03","","","","0.055","","","","","","1.027","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110170","14.4029","0.0008","14.4398","0.0008","25.9117","0.0018","90","","90","","90","","5389","0.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-DAC=PPh","","","- C30 H33 N2 O2 P -","- C30 H33 N2 O2 P -","- C240 H264 N16 O16 P8 -","8","1","","Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall","Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts","Chem.Commun.","2014","50","","162","","10.1039/c3cc45134h","","","0.71075","MoKα","","0.0745","0.0491","","","0.1381","0.1583","","","","","","1.01","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110181","15.277","0.0006","12.2434","0.0005","20.3925","0.001","90","","90","","90","","3814.3","0.3","293","2","293","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","unk","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","1","","Sujit Mahato; Surajit Haldar; Chandan K. Jana","Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines","Chem.Commun.","2014","50","","332","","10.1039/c3cc46191b","","x-ray","0.71073","MoKα","","0.1561","0.0708","","","0.2398","0.3194","","","","","","0.908","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110255","13.664","0.0006","15.9211","0.0007","19.2494","0.0009","90","","90","","90","","4187.6","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Cl3 Ru2 -","- C20 H29 Cl3 Ru2 -","- C160 H232 Cl24 Ru16 -","8","1","","Basujit Chatterjee; Chidambaram Gunanathan","Ruthenium catalyzed selective hydrosilylation of aldehydes","Chem.Commun.","2014","50","","888","","10.1039/c3cc47593j","","","0.71073","MoKα","","0.026","0.0195","","","0.0424","0.0447","","","","","","1.037","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110267","10.7586","0.0006","16.5601","0.001","21.471","0.0013","90","","90","","90","","3825.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","1","","Changcheng Jing; Dong Xing; Wenhao Hu","Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones","Chem.Commun.","2014","50","","951","","10.1039/c3cc48067d","","","0.71073","MoKα","","0.055","0.046","","","0.1189","0.1283","","","","","","1.026","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110290","11.049","0.0006","18.8681","0.001","19.8287","0.001","90","","90","","90","","4133.8","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N4 -","- C24 H28 N4 -","- C192 H224 N32 -","8","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71069","MoKα","","0.1237","0.06","","","0.1244","0.1495","","","","","","1.006","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110406","7.351","0.0002","13.8734","0.0004","16.4273","0.0004","90","","90","","90","","1675.31","0.08","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","di(2-pyrrolyl) thioketone","","","- C9 H8 N2 S -","- C9 H8 N2 S -","- C72 H64 N16 S8 -","8","1","","Norsten, Tyler B.; McDonald, Robert; Branda, Neil R.","The self-assembly and spontaneous resolution of a hydrogen-bonded helix","Chemical Communications","1999","","8","719","","10.1039/a808638i","","","1.54178","CuKa","","0.0417","0.0391","","0.1019","0.099","","","","1.155","1.166","1.166","","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110409","11.658","0.001","8.055","0.001","34.764","0.005","90","","90","","90","","3264.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 F6 N2 O6 -","- C15 H10 F6 N2 O6 -","- C120 H80 F48 N16 O48 -","8","1","","Andrews, Mark D.; Brown, Giles A.; Charmant, Jonathan P. H.; Peakman, Torren M.; Rebello, Arlene; Walsh, Kenneth E.; Gallagher, Timothy; Hales, Neil J.","Aldehydes and ketones as dipolarophiles: application to the synthesis of oxapenams","Chemical Communications","1999","","3","249","","10.1039/a808688e","","","0.71073","MoKα","","0.0374","0.0319","","","0.074","0.0765","","","","","","1.194","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110464","8.873","0.003","8","0.004","22.027","0.007","90","","90","","90","","1563.6","1.1","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C3 H6 O -","- C3 H6 O -","- C48 H96 O16 -","16","2","","Allan, David R.; Clark, Stewart J.; Ibberson, Richard M.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","The influence of pressure and temperature on the crystal structure of acetone","Chemical Communications","1999","","8","751","","10.1039/a900558g","","","0.71073","MoKα","","0.1396","0.0528","","","0.1039","0.1351","","","","","","0.928","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110465","9.1669","0.0001","7.5323","0.0001","21.2486","0.0001","90","","90","","90","","1467.17","0.03","5","","5","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Acetone-d6","","- C3 D6 O -","- C3 D6 O -","- C48 D96 O16 -","16","2","","Allan, David R.; Clark, Stewart J.; Ibberson, Richard M.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","The influence of pressure and temperature on the crystal structure of acetone","Chemical Communications","1999","","8","751","","10.1039/a900558g","","neutron","","Neutron","","","","","","","","","","","","","","","","","has coordinates","269434","2021-10-01","13:07:50",""
"7110466","9.172","0.008","7.761","0.008","21.66","0.02","90","","90","","90","","1542","3","110","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C3 H6 O -","- C3 H6 O -","- C48 H96 O16 -","16","2","","Allan, David R.; Clark, Stewart J.; Ibberson, Richard M.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","The influence of pressure and temperature on the crystal structure of acetone","Chemical Communications","1999","","8","751","","10.1039/a900558g","","","0.71073","MoKα","","0.1416","0.0585","","","0.1012","0.1274","","","","","","0.968","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110504","12.8335","0.0004","16.7315","0.0005","18.65","0.0006","90","","90","","90","","4004.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,2,3-Tri-tert.butyl-1,3-2,4-diazaphosphaaluminetidine- trimethylamino-donor","","- C15 H37 Al N3 P -","- C15 H37 Al N3 P -","- C120 H296 Al8 N24 P8 -","8","1","","Schulz, Stephan; Bauer, Tillmann; Nieger, Martin","Synthesis and X-ray structure of the first 1,3,2,4-diazaphosphaaluminetidine","Chemical Communications","1999","","10","879","","10.1039/a901556f","","","0.71073","MoKα","","0.0746","0.05","","","0.1457","0.1535","","","","","","1.004","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110561","24.883","0.005","37.424","0.008","11.98","0.009","90","","90","","90","","11156","9","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H88 As4 N8 Na4 -","- C48 H88 As4 N8 Na4 -","- C384 H704 As32 N64 Na32 -","8","1","","Bashall, Alan; McPartlin, Mary; Beswick, Michael A.; Harron, Eilis A.; Hopkins, Alexander D.; Kidd, Sara J.; Raithby, Paul R.; Wright, Dominic S.; Steiner, Alexander","Geometric control of cage architecture; observation of ligand-selective behaviour in the structures of [{As2(NCy)4}2M4] (M = Na, Cu; Cy = C6H11)","Chemical Communications","1999","","12","1145","","10.1039/a903010g","","","0.71073","MoKα","","0.1515","0.1047","","","0.2379","0.2643","","","","","","1.284","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110562","10.799","0.002","17.252","0.004","20.326","0.004","90","","90","","90","","3786.8","1.3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-dicarbadodecaborane-imino-tris(dimethylamino)phosphorane adduct","","","- C8 H31 B10 N4 P -","- C8 H31 B10 N4 P -","- C64 H248 B80 N32 P8 -","8","1","","Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Neretin, Ivan S.; Wade, Kenneth","Deboronation of ortho-carborane by an iminophosphorane: crystal structures of the novel carborane adduct nido-C2B10H12·HNP(NMe2)3 and the borenium salt [(Me2N)3PNHBNP(NMe2)3]2O2+(C2B9H12−)2","Chemical Communications","1999","","17","1649","","10.1039/a903030a","","","0.71073","MoKα","","0.1681","0.0766","","","0.1457","0.1873","","","","","","1.053","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110603","7.045","0.0005","16.646","0.001","16.866","0.001","90","","90","","90","","1977.9","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C88 H120 N8 O8 -","4","0.5","","Ventrice, Tina; Campi, Eva M.; Roy Jackson, W.; Patti, Antonio F.","A new route to medium and large heterocyclic compounds","Chemical Communications","1999","","16","1463","","10.1039/a904168k","","","0.7107","MoKα","","","0.0637","","","","0.0521","","","","","","3.138","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110621","15.7039","0.0004","19.5502","0.0004","20.336","0.0005","90","","90","","90","","6243.4","0.3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Fe3 N2 O10 P2 -","- C23 H28 Fe3 N2 O10 P2 -","- C184 H224 Fe24 N16 O80 P16 -","8","1","","Bourissou, Didier; Canac, Yves; Gornitzka, Heinz; Baceiredo, Antoine; Bertrand, Guy","Ligand properties of 1H-diphosphirenes and diphosphirenylium salts towards iron carbonyl fragments","Chemical Communications","1999","","16","1535","","10.1039/a904747f","","","0.71073","MoKα","","0.0548","0.0513","","","0.1213","0.1233","","","","","","1.212","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110650","17.7707","0.0004","19.7667","0.0005","20.3416","0.0004","90","","90","","90","","7145.4","0.3","160.2","","160.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 Li N4 -","- C37 H55 Li N4 -","- C296 H440 Li8 N32 -","8","1","","Schmidt, Joseph A. R.; Arnold, John","Mono-amidinate complexes stabilized by a new sterically-hindered amidine†","Chemical Communications","1999","","21","2149","","10.1039/a905620c","","","0.7107","MoKα","","0.056","0.0399","","","0.0428","","","","","1.361","1.361","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110651","18.6326","0.0006","21.4487","0.0005","24.4451","0.0007","90","","90","","90","","9769.4","0.5","140.2","","140.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H75 N4 Si4 Y -","- C43 H75 N4 Si4 Y -","- C344 H600 N32 Si32 Y8 -","8","1","","Schmidt, Joseph A. R.; Arnold, John","Mono-amidinate complexes stabilized by a new sterically-hindered amidine†","Chemical Communications","1999","","21","2149","","10.1039/a905620c","","","0.7107","MoKα","","0.105","0.03","","","0.0309","","","","","0.901","0.901","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110670","25.23","0.01","31.84","0.01","20.951","0.008","90","","90","","90","","16830","11","296.2","","296.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H72 Cu7 F24 N9 P4 S9 W3 -","- C48 H72 Cu7 F24 N9 P4 S9 W3 -","- C384 H576 Cu56 F192 N72 P32 S72 W24 -","8","1","","Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structures of a triply-fused incomplete-cubane cluster [{(η5-C5Me5)WS3}3Cu7(MeCN)9](PF6)4 and a 2D polymer [(η5-C5Me5)WS3Cu3Cl(MeCN)(pz)]PF6 (pz = pyrazine)","Chemical Communications","1999","","22","2315","","10.1039/a906081b","","","0.7107","MoKα","","0.0541","0.0541","","","0.0644","0.0644","","","","","","2.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110671","16.055","0.003","26.78","0.01","12.295","0.005","90","","90","","90","","5286","3","296.2","","296.2","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl Cu3 F6 N3 P S3 W -","- C16 H22 Cl Cu3 F6 N3 P S3 W -","- C128 H176 Cl8 Cu24 F48 N24 P8 S24 W8 -","8","1","","Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structures of a triply-fused incomplete-cubane cluster [{(η5-C5Me5)WS3}3Cu7(MeCN)9](PF6)4 and a 2D polymer [(η5-C5Me5)WS3Cu3Cl(MeCN)(pz)]PF6 (pz = pyrazine)","Chemical Communications","1999","","22","2315","","10.1039/a906081b","","","0.7107","MoKα","","0.0464","0.0464","","","0.05","0.05","","","","","","1.631","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110688","18.9632","0.0009","22.3542","0.0011","22.7952","0.0012","90","","90","","90","","9663","0.8","223","2","223","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H42 B Cl6 I N6 S3 Zn -","- C38 H42 B Cl6 I N6 S3 Zn -","- C304 H336 B8 Cl48 I8 N48 S24 Zn8 -","8","1","","Kimblin, Clare; Bridgewater, Brian M.; Churchill, David G.; Parkin, Gerard","Mononuclear tris(2-mercapto-1-arylimidazolyl)hydroborato complexes of zinc, [TmAr]ZnX: structural evidence that a sulfur rich coordination environment promotes the formation of a tetrahedral alcohol complex in a synthetic analogue of LADH","Chemical Communications","1999","","22","2301","","10.1039/a906561j","","","0.71073","MoKα","","0.0825","0.0585","","","0.1552","0.1751","","","","","","1.027","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110690","19.6233","0.0018","24.93","0.002","33.1","0.002","90","","90","","90","","16193","2","233","2","233","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H42 B Cl N6 O0.5 S3 Zn -","- C36 H40 B Cl N6 O0.5 S3 Zn -","- C576 H640 B16 Cl16 N96 O8 S48 Zn16 -","16","2","","Kimblin, Clare; Bridgewater, Brian M.; Churchill, David G.; Parkin, Gerard","Mononuclear tris(2-mercapto-1-arylimidazolyl)hydroborato complexes of zinc, [TmAr]ZnX: structural evidence that a sulfur rich coordination environment promotes the formation of a tetrahedral alcohol complex in a synthetic analogue of LADH","Chemical Communications","1999","","22","2301","","10.1039/a906561j","","","0.71073","MoKα","","0.1151","0.0461","","","0.1048","0.1208","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110695","21.454","0.011","16.315","0.006","29.651","0.012","90","","90","","90","","10379","8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","vbp-j1","","","- C24 H120 B6 N17 O86 P12 V12 -","- C24 H136.2 B6 N15.2 O85 P12 V12 -","- C96 H544.8 B24 N60.8 O340 P48 V48 -","4","0.5","","Zhao, Yongnan; Zhu, Guangshan; Liu, Wang; Zou, Yongcun; Pang, Wenqin","Synthesis and structures of two new 12-member ring crown-shaped oxovanadium borophosphates","Chemical Communications","1999","","21","2219","","10.1039/a906668c","","","0.71073","MoKα","","0.1014","0.0586","","","0.1708","0.1901","","","","","","0.84","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110696","21.537","0.002","16.2667","0.0013","29.717","0.004","90","","90","","90","","10410.9","1.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","vbp-j2","","","- C28 H128 B6 K N20 O84 P12 V12 -","- C30 H132 B6 K N18 O84 P12 V12 -","- C120 H528 B24 K4 N72 O336 P48 V48 -","4","0.5","","Zhao, Yongnan; Zhu, Guangshan; Liu, Wang; Zou, Yongcun; Pang, Wenqin","Synthesis and structures of two new 12-member ring crown-shaped oxovanadium borophosphates","Chemical Communications","1999","","21","2219","","10.1039/a906668c","","","0.71073","MoKα","","0.0839","0.0576","","","0.154","0.1754","","","","","","0.95","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110797","9.69","0.0004","25.4267","0.0012","25.8065","0.0013","90","","90","","90","","6358.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H33 O7 P3 Re2 S -","- C24 H33 O7 P3 Re2 S -","- C192 H264 O56 P24 Re16 S8 -","8","1","","Reynolds, Michael A.; Angelici, Robert J.; Guzei, Ilia A.","Organometallic models of catalytic hydrodesulfurization: Re2(CO)10-promoted cleavage of C‒S bonds in benzothiophene","Chemical Communications","2000","","6","513","","10.1039/a909161k","","","0.71073","MoKα","","0.0467","0.0242","","","0.0327","0.0349","","","","","","1.007","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110850","18.452","0.001","19.131","0.001","28.239","0.001","90","","90","","90","","9968.5","0.8","117","","117","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H80 N2 O2 Zr -","- C48 H60 N2 O2 Zr -","- C384 H480 N16 O16 Zr8 -","8","1","","Tshuva, Edit Y.; Goldberg, Israel; Kol, Moshe; Weitman, Hana; Goldschmidt, Zeev","Novel zirconium complexes of amine bis(phenolate) ligands. Remarkable reactivity in polymerization of hex-1-ene due to an extra donor arm","Chemical Communications","2000","","5","379","","10.1039/b000396o","","","0.7107","MoKα","","0.148","0.1028","","","0.2636","0.2853","","","","","","1.028","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110852","20.778","0.001","17.918","0.001","21.623","0.001","90","","90","","90","","8050.2","0.7","130","","130","","","","","","","","by syntheses","6","P b c a","-P 2ac 2ab","61","","","","- C33 H51 Cl N5 Si4 V -","- C33 H51 Cl N5 Si4 V -","- C264 H408 Cl8 N40 Si32 V8 -","8","1","","Brussee, Edward A. C.; Meetsma, Auke; Hessen, Bart; Teuben, Jan H.","The N,N′-bis(trimethylsilyl)pentafluorobenzamidinate ligand: enhanced ethene oligomerisation with a neutral V(iii) bis(benzamidinate) alkyl catalyst","Chemical Communications","2000","","6","497","","10.1039/b000397m","","","0.71073","MoKα","","0.1086","0.0514","","","","0.1093","","","","","","1.04","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110931","8.6041","0.0005","13.1932","0.0007","19.0521","0.001","90","","90","","90","","2162.7","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Bassindale, Martin J.; Edwards, Andrew S.; Adams, Harry; Harrity, Joseph P. A.; Hamley, Peter","The synthesis of angularly fused tricyclic compounds via tandem ring closing metathesis reactions","Chemical Communications","2000","","12","1035","","10.1039/b002136i","","","0.71073","MoKα","","0.0693","0.0572","","","0.1503","0.1589","","","","","","0.981","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110964","18.85","0.003","15.338","0.004","20.992","0.004","90","","90","","90","","6069","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29.5 H22 F2 I3 O P2 Rh -","- C29.5 H22 F2 I3 O P2 Rh -","- C236 H176 F16 I24 O8 P16 Rh8 -","8","1","","Carraz, Charles-Antoine; Orpen, A. Guy; Ellis, Dianne D.; Pringle, Paul G.; Ditzel, Evert J.; Sunley, Glenn J.","Rhodium(i) complexes of unsymmetrical diphosphines: efficient and stable methanol carbonylation catalysts","Chemical Communications","2000","","14","1277","","10.1039/b002802i","","","0.71073","MoKα","","0.0526","0.0382","","0.0981","0.0854","","","","1.165","1.132","1.132","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110970","31.771","0.006","14.038","0.004","13.366","0.005","90","","90","","90","","5961","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H43 F6 N2 P Ru -","- C28 H43 F6 N2 P Ru -","- C224 H344 F48 N16 P8 Ru8 -","8","1","","Kondo, Hideo; Yamaguchi, Yoshitaka; Nagashima, Hideo","The first organoruthenium(iv) complexes containing nitrogen donor ligands by oxidative addition of allylic substrates to coordinatively unsaturated Ru(ii) complexes","Chemical Communications","2000","","12","1075","","10.1039/b002927k","","","0.7107","MoKα","","0.0917","0.0492","","","0.1418","0.162","","","","","","1.037","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110986","18.284","0.005","20.171","0.007","17.758","0.005","90","","90","","90","","6549","3","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H35 P Se3 W -","- C34 H35 P Se3 W -","- C272 H280 P8 Se24 W8 -","8","1","","Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","Synthesis and structures of half-sandwich W(vi) tri(selenido) and W(ii) selenolato complexes","Chemical Communications","2000","","14","1299","","10.1039/b003303k","","","0.7107","MoKα","","0.0568","0.0463","","","0.0556","0.058","","","","","","1.439","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110988","13.352","0.003","14.822","0.003","18.105","0.004","90","","90","","90","","3583","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 Br N3 O -","- C18 H28 Br N3 O -","- C144 H224 Br8 N24 O8 -","8","1","","Pidwell, Andrew D.; Collinson, Simon R.; Bruce, Duncan W.; Coles, Simon J.; Hursthouse, Michael B.; Schröder, Martin","The synthesis and properties of surfactant aza macrocycles","Chemical Communications","2000","","11","955","","10.1039/b003368p","","","0.71073","MoKα","","0.0601","0.041","","","0.1123","0.1283","","","","","","0.908","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7111018","16.026","0.005","11.41","0.002","22.56","0.005","90","","90","","90","","4125.2","1.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Li2 N3 O3 P -","- C21 H22 Li2 N3 O3 P -","- C168 H176 Li16 N24 O24 P8 -","8","1","","Burke, Lisa T.; Hevia-Freire, Eva; Holland, Rebecca; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Zagorski, Anette; Steiner, Alexander","Synthesis and structure of a tris imido phosphonate anion; the missing link in imido analogues of phosphorus oxoanions","Chemical Communications","2000","","18","1769","","10.1039/b004192k","","","0.71073","MoKα","","0.0671","0.0402","","0.1042","0.092","","","","1.015","1.065","1.065","","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111023","9.752","0.002","19.758","0.003","22.963","0.003","90","","90","","90","","4424.5","1.3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C15 H24 B F4 I N4 S Zn -","- C13.3333 H21.3333 B0.888889 F3.55556 I0.888889 N3.55556 S0.888889 Zn0.888889 -","- C120 H192 B8 F32 I8 N32 S8 Zn8 -","9","1.125","","Hammes, Brian S.; Carrano, Carl J.","Methylation of (2-methylethanethiol-bis-3,5-dimethylpyrazolyl)methane zinc complexes and coordination of the resulting thioether: relevance to zinc-containing alkyl transfer enzymes","Chemical Communications","2000","","17","1635","","10.1039/b004338i","","","0.71073","MoKα","","0.1159","0.064","","0.22","0.1607","","","","0.98","0.992","0.992","","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111045","15.447","0.003","10.989","0.002","19.907","0.004","90","","90","","90","","3379.2","1.1","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H40 O10 P2 -","- C32 H40 O10 P2 -","- C128 H160 O40 P8 -","4","0.5","","Pettinari, Claudio; Marchetti, Fabio; Cingolani, Augusto; Drozdov, Andrei; Troyanov, Sergei","Unexpected synthesis of (bis(diphenylphosphinoyl)ethane)·2(2,2-dihydroperoxypropane) 1∶2 adduct: a new route to stable organic dihydroperoxides","Chemical Communications","2000","","19","1901","","10.1039/b005221n","","","0.71073","MoKα","","0.0663","0.0362","","0.094","0.0821","","","","0.934","1.044","1.044","","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111141","10.768","0.005","15.464","0.005","15.529","0.005","90","0.005","90","0.005","90","0.005","2585.8","1.7","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N S3 -","- C13 H13 N S3 -","- C104 H104 N8 S24 -","8","1","","Hanton, Lyall R.; Turnbull, Julia M.; Richardson, Christopher; Robinson, Ward T.","Thiophene S-binding of a conformationally constrained thiophenophane leading to the formation of a copper(i) coordination polymer","Chemical Communications","2000","","24","2465","","10.1039/b007579p","","","0.71069","MoKα","","0.0471","0.0288","","","0.0649","0.068","","","","","","0.95","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111149","8.7173","0.0005","16.8678","0.0007","20.416","0.002","90","","90","","90","","3002","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H42 Al4 N6 -","- C24 H42 Al4 N6 -","- C96 H168 Al16 N24 -","4","0.5","","Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Aluminium-containing ring systems and N-heterocycle formation via nitrile insertions into Al‒N bonds","Chemical Communications","2001","","1","79","","10.1039/b007810g","","","1.54178","CuKα","","0.116","0.0693","","0.241","0.1729","","","","1.052","1.119","1.119","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111227","7.0594","0.0002","5.9531","0.0002","16.743","0.0006","90","","90","","90","","703.63","0.04","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","1,7-octadyine","1,7-octadiyne","","- C8 H10 -","- C8 H10 -","- C32 H40 -","4","0.5","","Bond, Andrew D.","C???H????? interactions in the low-temperature crystal structures of ??,??-unsaturated linear hydrocarbonsElectronic supplementary (ESI) information available: experimental details of crystal growth for 1???4, lattice-energy calculations for 1???4 and the n-alkanes, and definition and determination of the planar packing densities. See http://www.rsc.org/suppdata/cc/b2/b204261d/","Chemical Communications","2002","","16","1664","","10.1039/b204261d","","","0.7107","MoKα","","0.0367","0.0325","","","0.0914","0.0947","","","","","","1.138","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111228","7.0832","0.0003","5.9177","0.0003","21.2692","0.0011","90","","90","","90","","891.53","0.07","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","1,9-decadiyne","1,9-decadiyne","","- C10 H14 -","- C10 H14 -","- C40 H56 -","4","0.5","","Bond, Andrew D.","C???H????? interactions in the low-temperature crystal structures of ??,??-unsaturated linear hydrocarbonsElectronic supplementary (ESI) information available: experimental details of crystal growth for 1???4, lattice-energy calculations for 1???4 and the n-alkanes, and definition and determination of the planar packing densities. See http://www.rsc.org/suppdata/cc/b2/b204261d/","Chemical Communications","2002","","16","1664","","10.1039/b204261d","","","0.7107","MoKα","","0.0592","0.0446","","","0.1199","0.1294","","","","","","1.043","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111331","10.1566","0.0007","18.671","0.001","35.302","0.002","90","","90","","90","","6694.5","0.7","153.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H38 O4 -","- C44 H38 O4 -","- C352 H304 O32 -","8","1","","Iwashita, Shinichi; Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Ono, Kazunori; Takenaka, Masami; Suzuki, Takanori","First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray structure, electrochromic response of 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic supplementary information (ESI) available: ORTEP drawings of 12+ and 2. See http://www.rsc.org/suppdata/cc/b4/b405837b/","Chemical Communications","2004","","18","2076","2077","10.1039/b405837b","","","0.7107","MoKα","","","0.0392","","","","0.0514","","","","","","1.263","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111337","9.6523","0.0019","18.092","0.004","34.297","0.007","90","","90","","90","","5989","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 K O7 Si3 -","- C19 H45 K O7 Si3 -","- C152 H360 K8 O56 Si24 -","8","1","","Likhar, Pravin R.; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Preparation and structural characterisation of methoxybis(trimethylsilyl)silyl potassium and its condensation product","Chemical Communications","2004","","15","1764","1765","10.1039/b406074a","","","0.71073","MoKα","","0.0888","0.0741","","","0.152","0.1593","","","","","","1.184","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111438","11.5242","0.0005","10.9946","0.0004","21.098","0.0009","90","","90","","90","","2673.2","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolene","1,3-Di-tert.butyl-2-chloro-1,3,2-diazastibolene","","- C10 H20 Cl N2 Sb -","- C10 H20 Cl N2 Sb -","- C80 H160 Cl8 N16 Sb8 -","8","1","","Gudat, Dietrich; Gans-Eichler, Timo; Nieger, Martin","Synthesis and unprecedented oxidation of a cationic Sb-analogue of an Arduengo's carbene","Chemical Communications","2004","","21","2434","2435","10.1039/b409657f","","","0.71073","MoKα","","0.0627","0.0375","","","0.0826","0.0911","","","","","","0.933","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111459","10.6274","0.0013","19.835","0.003","28.003","0.003","90","","90","","90","","5902.9","1.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H48 Li2 N6 -","- C26 H48 Li2 N6 -","- C208 H384 Li16 N48 -","8","1","","Mungur, Shaheed A.; Liddle, Stephen T.; Wilson, Claire; Sarsfield, Mark J.; Arnold, Polly L.","Bent metal carbene geometries in amido N-heterocyclic carbene complexes","Chemical Communications","2004","","23","2738","2739","10.1039/b410074c","","","0.71073","MoKα","","0.0953","0.0495","","","0.1212","0.1378","","","","","","0.909","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111463","17.3157","0.0019","10.8344","0.0012","17.787","0.002","90","","90","","90","","3336.9","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N P S -","- C17 H26 N P S -","- C136 H208 N8 P8 S8 -","8","1","","Wechsler, Dominik; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Structurally diverse Rh(i) and Mn(i) complexes derived from the new ambidentate indene ligand, (1-{iPr2P(S)}-2-{NMe2})C9H6","Chemical Communications","2004","","21","2446","2447","10.1039/b410328a","","","0.71073","MoKα","","0.0441","0.0338","","","0.0825","0.0887","","","","","","1.064","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111474","18.082","0.002","8.9956","0.0011","32.899","0.004","90","","90","","90","","5351.3","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H26 Cu N4 S2 -","- C32 H26 Cu N4 S2 -","- C256 H208 Cu8 N32 S16 -","8","1","","Do, Loi; Halper, Sara R.; Cohen, Seth M.","Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes","Chemical Communications","2004","","23","2662","2663","10.1039/b411991f","","","0.71073","MoKα","","0.0421","0.0371","","","0.0878","0.0902","","","","","","1.123","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111541","9.79","0.002","13.973","0.003","23.768","0.005","90","","90","","90","","3251.4","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","1","","Liang, Fushun; Cheng, Xin; Liu, Jing; Liu, Qun","Efficient three-component one-pot synthesis of fully substituted pyridin-2(1H)-ones via tandem Knoevenagel condensation‒ring-opening of cyclopropane‒intramolecular cyclization","Chemical Communications","2009","","24","3636","3638","10.1039/b905742k","","","0.71069","MoKα","","0.0853","0.0596","","","0.1645","0.1858","","","","","","1.04","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111542","16.0927","0.0008","25.1371","0.0017","19.9083","0.001","90","","90","","90","","8053.4","0.8","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H62 B2 La N3 O2 -","- C38 H62 B2 La N3 O2 -","- C304 H496 B16 La8 N24 O16 -","8","1","","Meyer, Nils; Jenter, Jelena; Roesky, Peter W.; Eickerling, Georg; Scherer, Wolfgang","Unusual reactivity of lanthanide borohydride complexes leading to a borane complex","Chemical Communications","2009","","31","4693","4695","10.1039/b907193h","","","0.71073","MoKα","","0.0709","0.034","","","0.0652","0.0723","","","","","","0.864","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111560","16.4109","0.0003","21.9547","0.0005","43.1651","0.0008","90","","90","","90","","15552.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H19 F24 N2 Nd O8 -","- C28 H19 F24 N2 Nd O8 -","- C448 H304 F384 N32 Nd16 O128 -","16","2","","Mehdi, Hasan; Binnemans, Koen; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter","Hydrophobic ionic liquids with strongly coordinating anions","Chemical Communications","2010","46","2","234","236","10.1039/b914977e","","","1.54178","CuKα","","0.0616","0.0529","","","0.1342","0.1425","","","","","","1.014","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111580","7.47709","0.00013","7.38736","0.00013","22.56247","0.00041","90","","90","","90","","1246.26","0.04","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N2 O6 W2 -","- C10 H8 N2 O6 W2 -","- C40 H32 N8 O24 W8 -","4","0.5","","Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.","Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5","Chemical Communications","2010","46","24","4261","","10.1039/b927102n","","","1.54178","CuKα","","0.0379","0.0367","","","0.0897","0.0909","","","","","","1.114","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111581","7.4683","0.0003","7.391","0.0003","22.5781","0.0006","90","","90","","90","","1246.27","0.08","100","5","100","5","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N2 Na0.25 O6 W2 -","- C10 H8 N2 Na0.26 O6 W2 -","- C40 H32 N8 Na1.04 O24 W8 -","4","0.5","","Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.","Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5","Chemical Communications","2010","46","24","4261","","10.1039/b927102n","","","1.54178","CuKα","","0.057","0.0536","","","0.1251","0.1279","","","","","","0.865","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111582","7.48501","0.00014","7.40943","0.00015","22.6257","0.0004","90","","90","","90","","1254.81","0.04","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N2 Na0.26 O6 W2 -","- C10 H8 N2 Na0.26 O6 W2 -","- C40 H32 N8 Na1.04 O24 W8 -","4","0.5","","Islah-u-din,; Fox, Matthew R.; Martin, Hélène; Gainsford, Graeme J.; Kennedy, John; Markwitz, Andreas; Telfer, Shane G.; Jameson, Geoffrey B.; Tallon, Jeffery L.","Synthesis and structure of Na±intercalated WO3(4,4′-bipyridyl)0.5","Chemical Communications","2010","46","24","4261","","10.1039/b927102n","","","1.54178","CuKα","","0.0607","0.0531","","","0.1221","0.1308","","","","","","1.053","","","","has coordinates,has disorder","180229","2020-10-21","18:00:00",""
"7111643","10.0743","0.0002","10.8754","0.0002","20.7109","0.0003","90","","90","","90","","2269.13","0.07","110","","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cl2 N O S -","- C10 H9 Cl2 N O S -","- C80 H72 Cl16 N8 O8 S8 -","8","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","0.71073","MoKα","","0.0294","0.0234","","","0.0621","0.0635","","","","","","1.052","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111646","9.136","0.0001","7.6331","0.0001","23.2493","0.0003","90","","90","","90","","1621.31","0.03","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Cl N3 -","- C8 H6 Cl N3 -","- C64 H48 Cl8 N24 -","8","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","1.54184","CuKα","","0.0275","0.0269","","","0.0762","0.0768","","","","","","1.083","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111649","10.1145","0.0007","8.615","0.0007","22.2122","0.0016","90","","90","","90","","1935.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O S -","- C10 H11 N O S -","- C80 H88 N8 O8 S8 -","8","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","0.71073","MoKα","","0.0363","0.0308","","","0.0758","0.0817","","","","","","1.086","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111678","21.7744","0.0018","12.4046","0.001","28.889","0.002","90","","90","","90","","7803","1.1","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H39 Au Cl9 N3 Pt -","- C29 H39 Au Cl9 N3 Pt -","- C232 H312 Au8 Cl72 N24 Pt8 -","8","1","","Baddour, Frederick G.; Kahn, Michael I.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Platinum(iv)-κ3-terpyridine complexes: synthesis with spectroscopic and structural characterization","Chemical Communications","2010","46","27","4968","4970","10.1039/c0cc00283f","","","0.71073","MoKα","","0.1406","0.0678","","","0.135","0.1642","","","","","","1.032","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111686","13.2464","0.0006","20.5599","0.001","22.4536","0.0011","90","","90","","90","","6115.1","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H34 N8 O17 Pt2 Th -","- C8 H34 N8 O17 Pt2 Th -","- C64 H272 N64 O136 Pt16 Th8 -","8","1","","Maynard, Branson A.; Sykora, Richard E.; Mague, Joel T.; Gorden, Anne E. V.","Actinide tetracyanoplatinates: synthesis and structural characterization with uncharacteristic Th‒NC coordination and thorium fluorescence","Chemical Communications","2010","46","27","4944","4946","10.1039/c0cc00343c","","","0.71073","MoKα","","0.0373","0.0301","","","0.0766","0.0781","","","","","","1.036","","","","has coordinates","189306","2020-10-21","18:00:00",""
"7111689","20.0082","0.0011","10.2344","0.0006","21.5661","0.0011","90","","90","","90","","4416.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 B F2 N3 -","- C12 H10 B F2 N3 -","- C192 H160 B16 F32 N48 -","16","2","","Gómez-Durán, C. F. Azael; García-Moreno, Inmaculada; Costela, Angel; Martin, Virginia; Sastre, Roberto; Bañuelos, Jorge; López Arbeloa, Fernando; López Arbeloa, Iñigo; Peña-Cabrera, Eduardo","8-PropargylaminoBODIPY: unprecedented blue-emitting pyrromethene dye. Synthesis, photophysics and laser properties","Chemical Communications","2010","46","28","5103","5105","10.1039/c0cc00397b","","","0.71073","MoKα","","0.0755","0.0372","","","0.0638","0.0679","","","","","","0.792","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111721","12.128","0.002","22.649","0.003","25.834","0.005","90","","90","","90","","7096","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H52 Cl Ga N2 O2 -","- C35 H52 Cl Ga N2 O2 -","- C280 H416 Cl8 Ga8 N16 O16 -","8","1","","Mejía, Michelle L.; Reeske, Gregor; Holliday, Bradley J.","Gallium-containing conducting metallopolymers which display chemically tunable reactivity for the growth of Ga2S3 semiconducting nanoparticles","Chemical Communications","2010","46","29","5355","5357","10.1039/c0cc00578a","","","0.71069","MoKα","","0.0864","0.043","","","0.0936","0.1099","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7111749","10.8588","0.0001","24.6233","0.0002","36.4979","0.0003","90","","90","","90","","9758.79","0.14","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H51 Fe5 P5 -","- C56 H51 Fe5 P5 -","- C448 H408 Fe40 P40 -","8","1","","Naseri, Vesal; Less, Robert J.; Mulvey, Robert E.; McPartlin, Mary; Wright, Dominic S.","Stoichiometric and catalytic Sn-mediated dehydrocoupling of primary phosphines","Chemical Communications","2010","46","27","5000","5002","10.1039/c0cc00827c","","","0.71073","MoKα","","0.0786","0.0453","","","0.0793","0.0897","","","","","","1.041","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111827","13.7831","0.0003","13.7152","0.0003","20.0961","0.0005","90","","90","","90","","3798.93","0.15","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(2,3,4,5-tetrafluorophenyl) zirconocene","","- C22 H12 F8 Zr -","- C22 H12 F8 Zr -","- C176 H96 F64 Zr8 -","8","1","","Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen","Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene","Chem.Commun.","2014","50","","1295","","10.1039/c3cc48796b","","","0.71073","MoKα","","0.0909","0.0593","","","0.1226","0.1449","","","","","","1.232","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111838","16.1902","0.0006","15.4925","0.0005","22.7717","0.0008","90","","90","","90","","5711.7","0.3","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H31 F6 Fe N5 O8 S2 -","- C19 H31 F6 Fe N5 O8 S2 -","- C152 H248 F48 Fe8 N40 O64 S16 -","8","1","","Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander","Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation","Chem.Commun.","2014","50","","1408","","10.1039/c3cc47830k","","","1.54184","CuKα","","0.0604","0.0447","","","0.1078","0.1178","","","","","","1.021","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111850","7.1656","0.0003","17.6207","0.0007","26.1711","0.0009","90","","90","","90","","3304.4","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P -","- C20 H23 P -","- C160 H184 P8 -","8","1","","Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle","A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands","Chem.Commun.","2014","50","","1432","","10.1039/c3cc49000a","","","0.71073","MoKα","","0.0672","0.0436","","","0.1128","0.1344","","","","","","1.012","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111873","18.718","0.002","8.0042","0.0012","33.333","0.005","90","","90","","90","","4994","1.2","300","2","300","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H18 Au Cl I3 O3 P -","- C21 H18 Au Cl I3 O3 P -","- C168 H144 Au8 Cl8 I24 O24 P8 -","8","1","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0491","0.034","","","0.0634","0.0726","","","","","","1.062","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111892","9.925","0.002","14.231","0.003","29.217","0.006","90","","90","","90","","4126.7","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C192 H216 N8 O16 -","8","1","","Leonardo Degennaro; Marina Zenzola; Piera Trinchera; Laura Carroccia; Arianna Giovine; Giuseppe Romanazzi; Aurelia Falcicchio; Renzo Luisi","Regioselective functionalization of 2-arylazetidines: evaluating the ortho-directing ability of the azetidinyl ring and the alpha-directing ability of the N-substituent","Chem.Commun.","2014","50","","1698","","10.1039/c3cc48555b","","","0.71073","MoKα","","0.1974","0.0651","","","0.1393","0.1818","","","","","","0.947","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111979","9.5669","0.0002","19.1416","0.0004","31.576","0.002","90","","90","","90","","5782.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 Cl3 O2 P -","- C34 H24 Cl3 O2 P -","- C272 H192 Cl24 O16 P8 -","8","1","","Paul Aillard; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","A [2+2+2] cyclization strategy for the synthesis of phosphorus embedding [6]helicene-like structures","Chem.Commun.","2014","50","","2199","","10.1039/c3cc48943d","","","1.54187","CuKα","","0.0879","0.0687","","","0.1937","0.2411","","","","","","1.187","","","","has coordinates,has disorder","180233","2020-10-21","18:00:00",""
"7112066","9.3737","0.0002","8.5684","0.0002","23.0087","0.0006","90","","90","","90","","1848","0.08","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Iain D. Roy; Alan R. Burns; Graham Pattison; Boris Michel; Alexandra J. Parker; Hon Wai Lam","A second-generation ligand for the enantioselective rhodium-catalyzed addition of arylboronic acids to alkenylazaarenes","Chem.Commun.","2014","50","","2865","","10.1039/c4cc00340c","","","0.71073","MoKα","","0.0513","0.0431","","","0.1105","0.1172","","","","","","1.048","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112078","20.9918","0.0006","20.793","0.0005","23.169","0.0006","90","","90","","90","","10112.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C102 H152 K2 N6 O12 -","- C102 H152 K2 N6 O12 -","- C408 H608 K8 N24 O48 -","4","0.5","","Andreas A. Danopoulos; Pierre Braunstein","'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers","Chem.Commun.","2014","50","","3055","","10.1039/c3cc49517e","","","0.71073","MoKα","","0.1389","0.0709","","","0.1645","0.209","","","","","","1.022","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112096","12.1117","0.0009","15.15","0.0012","31.225","0.002","90","","90","","90","","5729.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cl O4 -","- C33 H33 Cl O4 -","- C264 H264 Cl8 O32 -","8","1","","Hao Zhang; Qiong Hu; Lidong Li; Yimin Hu; Pingping Zhou; Xiaorong Zhang; Haifeng Xie; Fei Yin; Yadong Hu; Shaowu Wang","Convenient one-step construction of yne-functionalized aryl halides through domino cyclization from tetraynes","Chem.Commun.","2014","50","","3335","","10.1039/c3cc47707j","","","0.71073","MoKα","","0.0895","0.0556","","","0.1541","0.1801","","","","","","1.036","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112193","7.90952","0.00017","16.0335","0.0004","15.9946","0.0003","90","","90","","90","","2028.39","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Fe N4 S2 -","- C8 H6 Fe N4 S2 -","- C64 H48 Fe8 N32 S16 -","8","1","","P. J. Beldon; S. Tominaka; P. Singh; T. Saha Dasgupta; E. G. Bithell; A. K. Cheetham","Layered structures and nanosheets of pyrimidinethiolate coordination polymers","Chem.Commun.","2014","50","","3955","","10.1039/C4CC00771A","","","1.5418","CuKα","","0.0458","0.0396","","","0.1067","0.1115","","","","","","1.051","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112208","7.4749","0.0002","16.5165","0.0005","25.1847","0.0008","90","","90","","90","","3109.28","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Tao Shen; Yizhi Yuan; Song Song; Ning Jiao","Iron-catalyzed aerobic difunctionalization of alkenes: a highly efficient approach to construct oxindoles by C-S and C-C bond formation","Chem.Commun.","2014","50","","4115","","10.1039/C4CC00401A","","","0.71073","MoKα","","0.0385","0.0358","","","0.0947","0.098","","","","","","1.042","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112221","15.341","0.006","8.425","0.003","23.966","0.01","90","","90","","90","","3098","2","123.1","","123.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 N2 O2 S -","- C22 H12 N2 O2 S -","- C176 H96 N16 O16 S8 -","8","1","","Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics","Chem.Commun.","2014","50","","4178","","10.1039/C3CC49500K","","","0.7107","MoKα","","","0.1097","","","","0.2642","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112250","12.5583","0.0002","31.0602","0.0006","47.1556","0.0008","90","","90","","90","","18393.7","0.6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C116 H78 N7 O10 P Si2 -","- C116 H78 N7 O10 P Si2 -","- C928 H624 N56 O80 P8 Si16 -","8","1","","Taniyuki Furuyama; Yusuke Sugiya; Nagao Kobayashi","Synthesis of a tetrabenzotriazacorrole mu-oxo dimer and investigation of its stacking effect","Chem.Commun.","2014","50","","4312","","10.1039/C4CC01115E","","","1.54187","CuKα","","0.1378","0.0974","","","0.2795","0.3134","","","","","","1.035","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112481","15.9762","0.00017","15.10805","0.00017","21.3826","0.0002","90","","90","","90","","5161.1","0.09","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Cl4 Mn N5 -","- C21.999 H26.998 Cl3.998 Mn N5 -","- C175.992 H215.984 Cl31.984 Mn8 N40 -","8","1","","Grau, Michaela; Rigodanza, Francesco; White, Andrew J. P.; Sorarù, Antonio; Carraro, Mauro; Bonchio, Marcella; Britovsek, George J. P.","Ligand tuning of single-site manganese-based catalytic antioxidants with dual superoxide dismutase and catalase activity","Chemical Communications (Cambridge, United Kingdom)","2014","50","35","4607","4609","10.1039/c4cc00758a","","","0.71073","MoKα","","0.0467","0.0349","","","0.0908","0.0976","","","","","","1.087","","","","has coordinates,has disorder","210712","2020-10-21","18:00:00",""
"7112501","6.977","0.0001","22.095","0.0002","26.601","0.0003","90","","90","","90","","4100.73","0.08","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C192 H184 N24 O32 -","8","1","","Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo","Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines","MedChemComm","2013","4","6","956","","10.1039/c3md00077j","","","0.71073","MoKα","","0.0649","0.0422","","","0.0882","0.0991","","","","","","1.051","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112533","16.4356","0.0011","23.377","0.0016","40.098","0.003","90","","90","","90","","15406.3","1.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C83 H98 Br2 Cl2 N4 O Pd2 -","- C83 H98 Br2 Cl2 N4 O Pd2 -","- C664 H784 Br16 Cl16 N32 O8 Pd16 -","8","1","","Sau, Samaresh Chandra; Santra, Subhankar; Sen, Tamal K.; Mandal, Swadhin K.; Koley, Debasis","Abnormal N-heterocyclic carbene palladium complex: living catalyst for activation of aryl chlorides in Suzuki-Miyaura cross coupling.","Chemical communications (Cambridge, England)","2012","48","4","555","557","10.1039/c1cc15732a","","","0.71073","MoKα","","0.0578","0.043","","","0.0815","0.0873","","","","","","1.162","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112534","16.3712","0.0018","23.523","0.003","39.955","0.005","90","","90","","90","","15387","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C83 H98 Cl4 N4 O Pd2 -","- C83 H98 Cl4 N4 O Pd2 -","- C664 H784 Cl32 N32 O8 Pd16 -","8","1","","Sau, Samaresh Chandra; Santra, Subhankar; Sen, Tamal K.; Mandal, Swadhin K.; Koley, Debasis","Abnormal N-heterocyclic carbene palladium complex: living catalyst for activation of aryl chlorides in Suzuki-Miyaura cross coupling.","Chemical communications (Cambridge, England)","2012","48","4","555","557","10.1039/c1cc15732a","","","0.71073","MoKα","","0.0798","0.0458","","","0.1007","0.1195","","","","","","1.027","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112554","27.5621","0.0019","10.9547","0.0008","30.626","0.003","90","","90","","90","","9247","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H104 N16 O13 U4 -","- C96 H104 N16 O13 U4 -","- C384 H416 N64 O52 U16 -","4","0.5","","Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella","New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.","Chemical communications (Cambridge, England)","2012","48","6","868","870","10.1039/c1cc16646h","","","0.71073","MoKα","","0.1989","0.0919","","","0.1396","0.1823","","","","","","1.007","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112603","10.363","0.002","12.708","0.003","13.781","0.003","90","","90","","90","","1814.9","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl N2 O2 -","- C7 H15 Cl N2 O2 -","- C56 H120 Cl8 N16 O16 -","8","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.0677","0.0511","","","0.1404","0.1559","","","","","","1.128","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112604","12.111","0.002","12.998","0.003","12.998","0.003","90","","90","","90","","2046.1","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 Cl N2 O3 -","- C8 H17 Cl N2 O3 -","- C64 H136 Cl8 N16 O24 -","8","1","","Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell","A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids","Chem.Commun.","2014","50","","4888","","10.1039/C3CC49759C","","","0.71073","MoKα","","0.1049","0.0874","","","0.191","0.217","","","","","","1.006","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112622","12.2236","0.0012","9.7043","0.0005","19.584","0.0011","90","","90","","90","","2323.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","1","","Zhenxing Liu; Long Wang; Haocheng Tan; Shiyi Zhou; Tianren Fu; Ying Xia; Yan Zhang; Jianbo Wang","Synthesis of 1H-indazoles from N-tosylhydrazones and nitroaromatic compounds","Chem.Commun.","2014","50","","5061","","10.1039/C4CC00962B","","","0.7107","MoKα","","0.0459","0.0392","","","0.0956","0.0996","","","","","","1.071","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112645","19.9228","0.0004","15.0009","0.0003","28.215","0.002","90","","90","","90","","8432.3","0.6","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H52 Al Cl6 F3 Mg2 O7 -","- C31 H52 Al Cl6 F3 Mg2 O7 -","- C248 H416 Al8 Cl48 F24 Mg16 O56 -","8","1","","Emily G. Nelson; Jeff W. Kampf; Bart M. Bartlett","Enhanced oxidative stability of non-Grignard magnesium electrolytes through ligand modification","Chem.Commun.","2014","50","","5193","","10.1039/C3CC47277A","","","1.54178","CuKα","","0.0843","0.0807","","","0.2135","0.2162","","","","","","1.072","","","","has coordinates,has disorder","180240","2020-10-21","18:00:00",""
"7112655","7.7668","0.0001","13.4614","0.0003","21.3473","0.0004","90","","90","","90","","2231.9","0.07","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N S -","- C14 H13 N S -","- C112 H104 N8 S8 -","8","1","","Selin Ergun; Corrine F. Elliott; Aman Preet Kaur; Sean R. Parkin; Susan A. Odom","Overcharge performance of 3,7-disubstituted N-ethylphenothiazine derivatives in lithium-ion batteries","Chem.Commun.","2014","50","","5339","","10.1039/C3CC47503D","","","0.71073","MoKα","","0.0526","0.0366","","","0.0946","0.1021","","","","","","1.055","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112682","11.9094","0.0006","17.2458","0.0008","22.759","0.0011","90","","90","","90","","4674.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H33 B2 Cl4 O2 P -","- C17 H33 B2 Cl4 O2 P -","- C136 H264 B16 Cl32 O16 P8 -","8","1","","Zhao, Xiaoxi; Stephan, Douglas W.","Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.","Chemical communications (Cambridge, England)","2011","47","6","1833","1835","10.1039/c0cc04791k","","","0.71073","MoKα","","0.0788","0.043","","","0.0944","0.1078","","","","","","1.043","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112712","10.8867","0.001","25.958","0.002","22.332","0.002","90","","90","","90","","6311","0.9","193.1","","193.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Mn N4 O8 -","- C31 H42 Mn N4 O8 -","- C248 H336 Mn8 N32 O64 -","8","1","","Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.","A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.","Chemical communications (Cambridge, England)","2011","47","32","9149","9151","10.1039/c1cc12418h","","","0.71075","MoKα","","","0.0569","","","","0.1756","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112719","22.5434","0.0004","8.91677","0.0001","49.7495","0.001","90","","90","","90","","10000.4","0.3","298.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N2 -","- C45.3333 H34.6667 N2.66667 -","- C544 H416 N32 -","12","1.5","","Yamada, Shinji; Nojiri, Yuka","Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.","Chemical communications (Cambridge, England)","2011","47","32","9143","9145","10.1039/c1cc12572a","","","1.54187","CuKα","","","0.0648","","","","0.2166","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112736","9.4612","0.0005","13.0067","0.0006","14.8753","0.0008","90","","90","","90","","1830.54","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","1","","Gundluru, Mahesh Kumar; Pourpak, Alan; Cui, Xiaoli; Morris, Stephan W.; Webb, Thomas R.","Design, synthesis and initial biological evaluation of a novel pladienolide analog scaffold.","MedChemComm","2011","2","9","904","908","10.1039/C1MD00040C","","","1.54178","CuKα","","0.0284","0.0274","","","0.068","0.0687","","","","","","1.059","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112788","12.8582","0.0013","19.3783","0.0019","45.245","0.004","90","","90","","90","","11273.7","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H47 B2 Br3 F8 N13 Pd3 -","- C52 H47 B2 Br3 F8 N13 Pd3 -","- C416 H376 B16 Br24 F64 N104 Pd24 -","8","1","","Suess, Daniel L. M.; Peters, Jonas C.","Ligand design for site-selective installation of Pd and Pt centers to generate homo- and heteropolymetallic motifs.","Chemical communications (Cambridge, England)","2010","46","35","6554","6556","10.1039/c003163a","","","0.71073","MoKα","","0.1044","0.0906","","","0.1984","0.2046","","","","","","1.255","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112794","7.1319","0.0003","25.1912","0.0012","25.679","0.0012","90","","90","","90","","4613.5","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 F3 N3 O3 -","- C27 H18 F3 N3 O3 -","- C216 H144 F24 N24 O24 -","8","1","","Rajput, Lalit; Chernyshev, Vladimir V.; Biradha, Kumar","Assembling triple helical amide-to-amide hydrogen bonded columns of tris(4-halophenyl)benzene-1,3,5-tricarboxamides into porous materials via halogen...halogen interactions.","Chemical communications (Cambridge, England)","2010","46","35","6530","6532","10.1039/c0cc01551b","","","0.71073","MoKα","","0.1268","0.0534","","","0.1306","0.16","","","","","","0.862","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112824","7.1822","0.0002","14.0369","0.0003","16.6733","0.0003","90","","90","","90","","1680.93","0.07","100","2","100","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C7 H9 Au Cl N -","- C7 H9 Au Cl N -","- C56 H72 Au8 Cl8 N8 -","8","1","","Roselló-Merino, Marta; Díez, Josefina; Conejero, Salvador","A simple, general route to 2-pyridylidene transition metal complexes.","Chemical communications (Cambridge, England)","2010","46","48","9247","9249","10.1039/c0cc03935g","","","1.5418","CuKα","","0.0444","0.0398","","","0.109","0.113","","","","","","1.116","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112919","9.8141","0.0005","11.4621","0.0007","17.6029","0.0009","90","","90","","90","","1980.15","0.19","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 N4 O2 -","- C8 H10 N4 O2 -","- C64 H80 N32 O16 -","8","1","","Biswas, Debanjan; Deschamps, Jeffrey R.; Keefer, Larry K.; Hrabie, Joseph A.","Nitrogen-bound diazeniumdiolated amidines.","Chemical communications (Cambridge, England)","2010","46","31","5799","5801","10.1039/c0cc00849d","","","0.71073","MoKα","","0.0503","0.0388","","","0.1086","0.1186","","","","","","1.029","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112920","9.9137","0.0007","13.722","0.001","22.4918","0.0016","90","","90","","90","","3059.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","","Biswas, Debanjan; Deschamps, Jeffrey R.; Keefer, Larry K.; Hrabie, Joseph A.","Nitrogen-bound diazeniumdiolated amidines.","Chemical communications (Cambridge, England)","2010","46","31","5799","5801","10.1039/c0cc00849d","","","0.71073","MoKα","","0.0444","0.0373","","","0.1032","0.1084","","","","","","1.043","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112976","18.813","0.002","17.919","0.002","20.796","0.002","90","","90","","90","","7010.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H42 F6 O2 P3 Rh -","- C34 H42 F6 O2 P3 Rh -","- C272 H336 F48 O16 P24 Rh8 -","8","1","","Jiménez, M Victoria; Pérez-Torrente, Jesús J; Bartolomé, M Isabel; Lahoz, Fernando J.; Oro, Luis A.","Rational design of efficient rhodium catalysts for the anti-Markovnikov oxidative amination of styrene.","Chemical communications (Cambridge, England)","2010","46","29","5322","5324","10.1039/c0cc00525h","","","0.71073","MoKα","","0.0722","0.0549","","","0.1225","0.1301","","","","","","1.162","","","","has coordinates,has disorder","180243","2020-10-21","18:00:00",""
"7113025","9.153","0.0002","10.0183","0.0002","20.243","0.0006","90","","90","","90","","1856.23","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N O2 S2 -","- C8 H8 N O2 S2 -","- C64 H64 N8 O16 S16 -","8","1","","Alberola, Antonio; Eisler, Dana; Less, Robert J.; Navarro-Moratalla, Efren; Rawson, Jeremy M.","Synthesis and characterisation of 3,4-dialkoxy-substituted benzo-1,3,2-dithiazolyl radicals.","Chemical communications (Cambridge, England)","2010","46","33","6114","6116","10.1039/c0cc01282c","","","0.71073","MoKα","","0.062","0.0387","","","0.0741","0.0835","","","","","","1.101","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113302","9.9162","0.0003","11.9389","0.0003","21.5252","0.0007","90","","90","","90","","2548.34","0.13","123","1","123","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N5 O -","- C12 H19 N5 O -","- C96 H152 N40 O8 -","8","1","","Boltjes, André; Liao, George P.; Zhao, Ting; Herdtweck, Eberhardt; Dömling, Alexander","Ugi 4-CR Synthesis of γ- and δ-Lactams providing new access to diverse enzyme interactions, a PDB analysis.","MedChemComm","2014","5","7","949","952","10.1039/C4MD00162A","","","0.71073","MoKα","","0.0407","0.0359","","","0.0959","0.0994","","","","","","1.082","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113334","17.003","0.004","11.331","0.004","21.365","0.007","90","","90","","90","","4116","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C184 H216 N8 O16 S8 -","8","1","","Weston, Mitchell H.; Nakajima, Katsumasa; Parvez, Masood; Back, Thomas G.","Ring-expansion of tertiary cyclic alpha-vinylamines by tandem conjugate addition to (p-toluenesulfonyl)ethyne and formal 3-aza-Cope rearrangement.","Chemical communications (Cambridge, England)","2006","","37","3903","3905","10.1039/b607713g","","","0.71073","MoKα","","0.061","0.043","","","0.1052","0.1181","","","","","","0.985","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113364","14.939","0.0016","9.9164","0.0011","19.963","0.002","90","","90","","90","","2957.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Yevgen M. Poronik; Daniel T. Gryko","Pentacyclic coumarin-based blue emitters ‒ the case of bifunctional nucleophilic behavior of amidines","Chem.Commun.","2014","50","","5688","","10.1039/C4CC01106F","","","1.54178","CuKα","","0.041","0.0393","","","0.1101","0.1117","","","","","","1.058","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113387","9.919","0.002","16.766","0.004","25.021","0.005","90","","90","","90","","4161","1.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C184 H176 N16 O48 -","8","1","","Wang, Yuanhua; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao","Novel C-C bond formation through addition of ammonium ylides to arylaldehydes: a facile approach to beta-aryl-beta-hydroxy alpha-amino acid frameworks.","Chemical communications (Cambridge, England)","2004","","21","2486","2487","10.1039/b407449a","","","0.71073","MoKα","","0.1298","0.047","","","0.0853","0.0998","","","","","","0.803","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7113423","10.215","0.003","14.928","0.004","35.622","0.008","90","","90","","90","","5432","2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H38 B I Mn S3 -","- C21 H38 B I Mn S3 -","- C168 H304 B8 I8 Mn8 S24 -","8","1","","Peng Wang; Glenn P. A. Yap; Charles G. Riordan","Five-coordinate MII-semiquinonate (M = Fe, Mn, Co) complexes: reactivity models of the catechol dioxygenases","Chem.Commun.","2014","50","","5871","","10.1039/C3CC49143A","","","0.71073","MoKα","","0.0725","0.0456","","","0.0885","0.1019","","","","","","1.01","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113947","13.05642","0.00014","10.62115","0.00011","14.80917","0.00014","90","","90","","90","","2053.65","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10.90458 Cl3.09543 N2 Si -","- C5 H10.905 Cl3.095 N2 Si -","- C40 H87.24 Cl24.76 N16 Si8 -","8","1","","T. Bottcher; S. Steinhauer; B. Neumann; H-G. Stammler; G.-V. Roschenthaler; B. Hoge","Pentacoordinate silicon(IV): cationic, anionic and neutral complexes derived from the reaction of NHC>SiCl4 with highly Lewis acidic (C2F5)2SiH2","Chem.Commun.","2014","50","","6204","","10.1039/C4CC02583K","","","0.7107","MoKα","","0.0296","0.0289","","","0.0762","0.0766","","","","","","1.184","","","","has coordinates,has disorder","180253","2020-10-21","18:00:00",""
"7113983","17.615","0.005","10.145","0.005","20.328","0.005","90","0.005","90","0.005","90","0.005","3633","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C152 H176 O56 -","8","1","","Raja Mohanrao; Aromal Asokan; Kana M. Sureshan","Bio-inspired synthesis of rare and unnatural carbohydrates and cyclitols through strain driven epimerization","Chem.Commun.","2014","50","","6707","","10.1039/C4CC00868E","","","0.71073","MoKα","","0.0796","0.052","","","0.1286","0.1514","","","","","","1.013","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114021","29.462","0.006","12.66","0.002","30.697","0.006","90","","90","","90","","11450","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H160 Cu5 N42 O30 Ru4 -","- C50 H60 Cu5 N42 O30 Ru4 -","- C200 H240 Cu20 N168 O120 Ru16 -","4","0.5","","Sun, Xian-Ru; Liang, Jiang-Lin; Che, Chi-Ming; Zhu, Nianyong; Zhang, X. X.; Gao, Song","1-D polymer containing the [Ru???N???Ru] ??-nitrido moiety: crystal structure and magnetic properties of {[Cu(en)2]3[Ru2N(CN)10]??ClO4}n (en = 1,2-diaminoethane)Electronic supplementary information (ESI) available: field dependence of magnetisation for cluster 1 and polymer 2. See http://www.rsc.org/suppdata/cc/b2/b205534c/","Chemical Communications","2002","","18","2090","","10.1039/b205534c","","","0.71069","MoKα","","0.1145","0.0556","","","0.1487","0.1691","","","","","","0.914","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114023","16.1973","0.0005","9.3378","0.0002","34.0104","0.0012","90","","90","","90","","5144","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H30 F6 N5 O4 P -","- C22 H30.01 F6 N5 O4 P -","- C176 H240.08 F48 N40 O32 P8 -","8","1","","Navakhun, Korakot; Gale, Philip A.; Camiolo, Salvatore; Light, Mark E.; Hursthouse, Michael B.","Pendant arm pyrrolic amide cleft anion receptors","Chemical Communications","2002","","18","2084","","10.1039/b204295a","","","0.71073","MoKα","","0.1738","0.0653","","","0.1377","0.1769","","","","","","0.929","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7114048","10.327","0.0012","14.224","0.0014","20.193","0.0015","90","","90","","90","","2966.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,7-dimethyl-5-hydroxy-5-chloromethyl- 2-carboethoxy bicyclo[2.2.2]oct-7-ene-6-one","","","- C14 H19 Cl O4 -","- C14 H19 Cl O4 -","- C112 H152 Cl8 O32 -","8","1","","Singh, Vishwakarma; Pal, Shantanu; Mobin, Shaikh M.","Cycloaddition of cyclohexa-2,4-dienones with electron deficient 2?? partners: a novel and stereoselective route to functionalised bicyclo[2.2.2]octenones","Chemical Communications","2002","","18","2050","","10.1039/b205475m","","","0.7093","MoKα","","0.0619","0.0474","","","0.1195","0.1279","","","","","","1.101","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114114","11.6156","0.0001","17.9957","0.0003","26.6134","0.0001","90","","90","","90","","5563.02","0.11","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H40 Cl Cu N7 Ni O8 -","- C18 H40 Cl Cu N7 Ni O8 -","- C144 H320 Cl8 Cu8 N56 Ni8 O64 -","8","1","","Tercero, Javier; Diaz, Carmen; Ribas, Joan; Mahía, José; Maestro, Miguel","Synthesis and characterization of [Cu(Me2oxpn)Ni(NO2)(tmen)](ClO4): a single ferrimagnetic dinuclear CuII‒NiII complex acting as weak molecule-based magnet","Chemical Communications","2002","","4","364","","10.1039/b110747j","","","0.71073","MoKα","","0.0548","0.0385","","","0.0858","0.0936","","","","","","1.076","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114140","10.4896","0.0001","19.2431","0.0002","30.6552","0.0004","90","","90","","90","","6187.83","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Iodo-tris[5-tertbutylpyrazole]zinc(II) iodide dichloromethane solvate","","- C22 H38 Cl2 I2 N6 Zn -","- C21.99 H37.98 Cl1.98 I2 N6 Zn -","- C175.92 H303.84 Cl15.84 I16 N48 Zn8 -","8","1","","Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.","3{5}-tert-Butylpyrazole is a ditopic receptor for zinc(ii) halidesElectronic supplementary information (ESI) available: tabulated and plotted NMR data for 1‒3 in the presence and absence of added NBun4X (X‒ = Cl‒, Br‒, I‒, BF4‒). See http://www.rsc.org/suppdata/cc/b2/b200551b/","Chemical Communications","2002","","7","704","","10.1039/b200551b","","","0.71073","MoKα","","0.0427","0.0362","","","0.0928","0.0978","","","","","","1.091","","","","has coordinates,has disorder","180255","2020-10-21","18:00:00",""
"7114276","14.8544","0.0006","16.5918","0.0007","19.2122","0.0008","90","","90","","90","","4735.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H43 N7 Ta2 -","- C14 H43 N7 Ta2 -","- C112 H344 N56 Ta16 -","8","1","","Cai, Hu; Chen, Tianniu; Wang, Xiaoping; Schultz, Arthur J.; Koetzle, Thomas F.; Xue, Ziling","Direct observation of η2-imine formation through β-H abstraction between amide ligands. Neutron and X-ray diffraction structure of a dihydride imine ditantalum complexElectronic supplementary information (ESI) available: experimental section; X-ray ORTEP views of 1a and 1b; HMQC and NOESY NMR spectra. See http://www.rsc.org/suppdata/cc/b1/b108913g/","Chemical Communications","2002","","3","230","","10.1039/b108913g","","","0.71073","MoKα","","0.0384","0.0256","","","0.0603","0.0728","","","","","","1.122","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114277","14.811","0.003","16.555","0.003","18.985","0.004","90","","90","","90","","4655","1.6","20","2","20","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H43 N7 Ta2 -","- C14 H43 N7 Ta2 -","- C112 H344 N56 Ta16 -","8","1","","Cai, Hu; Chen, Tianniu; Wang, Xiaoping; Schultz, Arthur J.; Koetzle, Thomas F.; Xue, Ziling","Direct observation of η2-imine formation through β-H abstraction between amide ligands. Neutron and X-ray diffraction structure of a dihydride imine ditantalum complexElectronic supplementary information (ESI) available: experimental section; X-ray ORTEP views of 1a and 1b; HMQC and NOESY NMR spectra. See http://www.rsc.org/suppdata/cc/b1/b108913g/","Chemical Communications","2002","","3","230","","10.1039/b108913g","","","","neutrons","","","","","","","","","","","","","","","","","has coordinates","180256","2020-10-21","18:00:00",""
"7114314","14.8379","0.0002","35.4532","0.0003","16.3323","0.0005","90","","90","","90","","8591.6","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H30 Cl2 Mn2 N2 O6 -","- C53 H30 Cl2 Mn2 N2 O6 -","- C424 H240 Cl16 Mn16 N16 O48 -","8","1","","de Cian, André; Djukic, Jean-Pierre; Fischer, Jean; Pfeffer, Michel; Dötz, Karl Heinz","Expression of the prohelicity of bis-cyclomanganated 2,3-diphenylquinoxaline through reactions with diaryldiazomethanesElectronic supplementary information (ESI) available: preparation procedure and spectroscopic data for 1b‒d, crystal data for polymer 1e. See http://www.rsc.org/suppdata/cc/b1/b111570g","Chemical Communications","2002","","6","638","","10.1039/b111570g","","","0.71073","Mo-Kα","","0.158","0.051","","0.321","","0.082","","","15.033","","","1.415","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114348","16.8109","0.001","19.8224","0.001","22.705","0.002","90","0.01","90","0.01","90","0.01","7566","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H13 Eu F21 N2 O8 -","- C27 H13 Eu F21 N2 O8 -","- C216 H104 Eu8 F168 N16 O64 -","8","1","","Petrov, Viacheslav A.; Marshall, William J.; Grushin, Vladimir V.","The first perfluoroacetylacetonate metal complexes: as unexpectedly robust as tricky to makeElectronic supplementary information (ESI) available: details of the preparation of the complexes, analytical, NMR spectroscopical, and crystallographic data. See: http://www.rsc.org/suppdata/cc/b1/b111249j/","Chemical Communications","2002","","5","520","","10.1039/b111249j","","","0.71069","MoKα","","0.0816","0.0377","","","0.0744","0.0841","","","","","","0.863","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114358","17.607","0.002","9.595","0.003","25.87","0.008","90","","90","","90","","4370","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 N3 O2 -","- C25 H27 N3 O2 -","- C200 H216 N24 O16 -","8","1","","Stevenson, Paul J.; Nieuwenhuyzen, Mark; Osborne, Daire","Three component coupling reactions of N-acetyl-2-azetine- rapid stereoselective entry to 2,3,4-trisubstituted tetrahydroquinolines","Chemical Communications","2002","","5","444","","10.1039/b110242g","","","1.54178","CuKα","","0.121","0.0706","","","0.179","0.2382","","","","","","1.002","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114366","14.212","0.003","13.76","0.003","30.415","0.006","90","","90","","90","","5948","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H43 Cl3 Hf N2 Si4 -","- C15 H43 Cl3 Hf N2 Si4 -","- C120 H344 Cl24 Hf8 N16 Si32 -","8","1","","Frank, Dieter; Baumgartner, Judith; Marschner, Christoph","First successful reaction of a silyl anion with hafnium tetrachloride","Chemical Communications","2002","","11","1190","","10.1039/b201508k","","","0.71073","MoKα","","0.1693","0.0814","","","0.1409","0.1721","","","","","","0.957","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114379","8.9976","0.0011","15.9235","0.0019","33.533","0.002","90","","90","","90","","4804.4","0.9","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H31 N3 O8 Zn2 -","- C19 H31 N3 O8 Zn2 -","- C152 H248 N24 O64 Zn16 -","8","1","","Brown, David A.; Errington, William; Fitzpatrick, Noel J.; Glass, William K.; Kemp, Terence J.; Nimir, Hassan; Ryan, Áine T.","A novel dizinc bridged hydroxamate model for hydroxamate inhibited zinc hydrolasesAbbreviations: OAc = CH3CO2‒, BHA = benzohydroxamic acid, BA=deprotonated hydroxamic acid, tmen = tetramethylethylenediamine.","Chemical Communications","2002","","11","1210","","10.1039/b202612k","","","0.71073","MoKα","","0.05","0.0355","","","0.0663","0.0724","","","","","","1.117","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114388","15.12","0.02","15.3","0.03","17.118","0.013","90","","90","","90","","3960","10","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H32 Mo N6 -","- C17 H32 Mo N6 -","- C136 H256 Mo8 N48 -","8","1","","Katayev, Evgeny; Li, Yahong; Odom, Aaron L.","Insertion of an electron-rich alkyne into a molybdenum amido bond","Chemical Communications","2002","","8","838","","10.1039/b201389d","","","0.71073","MoKα","","0.1194","0.0599","","","0.1202","0.1419","","","","","","1.007","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114395","9.204","0.0001","16.193","0.0002","34.344","0.0005","90","","90","","90","","5118.64","0.11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N4 O4 -","- C30 H28 N4 O4 -","- C240 H224 N32 O32 -","8","1","","Willis, Michael C.; Claverie, Christelle K.; Mahon, Mary F.","Tandem intermolecular Suzuki coupling/intramolecular vinyl triflate‒arene couplingElectronic supplementary information (ESI) available: experimental and crystallographic data for compound 5. See http://www.rsc.org/suppdata/cc/b2/b200692h/","Chemical Communications","2002","","8","832","","10.1039/b200692h","","","0.71073","MoKα","","0.1016","0.0594","","","0.1352","0.1606","","","","","","0.957","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114442","15.867","0.005","20.697","0.006","22.397","0.007","90","","90","","90","","7355","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H72 Fe2 N8 O2 -","- C96 H72 Fe2 N8 O2 -","- C384 H288 Fe8 N32 O8 -","4","0.5","","Hung, Chen-Hsiung; Chen, Wan-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming","Dimeric iron n-confused porphyrin complexesElectonic supplementary information (ESI) available: general information; preparation and crystal data for 6 and 7; Fig. S1: absorption spectra for 6 and 7; Figs. S2 and S3: magnetic susceptibility data for 6 and 7. See http://www.rsc.org/suppdata/cc/b2/b202679a/","Chemical Communications","2002","","14","1516","","10.1039/b202679a","","","0.71073","MoKα","","0.2719","0.0756","","","0.1546","0.1788","","","","","","0.983","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114445","23.358","0.005","15.008","0.003","25.479","0.005","90","0.02","90","0.02","90","0.02","8932","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C104 H72 Cu4 N8 O20 -","- C104 H72 Cu4 N8 O20 -","- C416 H288 Cu16 N32 O80 -","4","0.5","","Liu, Gao-Feng; Ye, Bao-Hui; Ling, Yong-Hua; Chen, Xiao-Ming","Interlocking of molecular rhombi into a 2D polyrotaxane network via π‒π interactions. Crystal structure of [Cu2(bpa)2(phen)2(H2O)]2·2H2O (bpa2‒ = biphenyl-4,4′-dicarboxylate, phen = 1,10-phenanthroline)","Chemical Communications","2002","","14","1442","","10.1039/b202716j","","","0.71073","MoKα","","0.0832","0.0501","","","0.118","0.1413","","","","","","1.034","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114482","10.866","0.002","13.263","0.003","22.634","0.005","90","","90","","90","","3261.9","1.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","1:1 molecular complex of 5,5-diethylbarbituric acid and 1,3,5,7- hexamethylenetetramine","1:1 molecular complex of 5,5-diethylbarbituric acid and 1,3,5,7- hexamethylenetetramine","","- C14 H24 N6 O3 -","- C14 H24 N6 O3 -","- C112 H192 N48 O24 -","8","1","","Vishweshwar, Peddy; Thaimattam, Ram; Jaskólski, Mariusz; Desiraju, Gautam R.","Supramolecular synthons based on N‒H⋯N and C‒H⋯O hydrogen bonds. Crystal engineering of a helical structure with 5,5-diethylbarbituric acid","Chemical Communications","2002","","17","1830","1831","10.1039/b204388b","","","0.71073","MoKα","","0.0861","0.0649","","","0.112","0.1194","","","","","","1.257","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114489","8.3623","0.0004","13.7158","0.0007","30.2033","0.0015","90","","90","","90","","3464.2","0.3","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H28 Cl2 Co N5 O3 -","- C11 H28 Cl2 Co N5 O3 -","- C88 H224 Cl16 Co8 N40 O24 -","8","1","","Laval, Gilles; Clegg, William; Crane, Christopher G.; Hammershøi, Anders; Sargeson, Alan M.; Golding, Bernard T.","Assembly of polyamines via amino acids from three components using cobalt(iii) template methodology","Chemical Communications","2002","","17","1874","1875","10.1039/b206462f","","","0.71073","MoKα","","0.0631","0.0392","","","0.0822","0.0903","","","","","","1.086","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114497","13.6901","0.0013","18.9528","0.0018","27.676","0.003","90","","90","","90","","7181","1.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(2-(2-histidinyl)ethyl)aza-15-crown-5.sodium tetraphenylborate","","- C39 H47 B N3 Na O4 -","- C39 H47 B N3 Na O4 -","- C312 H376 B8 N24 Na8 O32 -","8","1","","Hu, Jiaxin; Barbour, Leonard J.; Ferdani, Riccardo; Gokel, George W.","Sodium cation complexation behavior of the heteroaromatic sidechains of histidine and tryptophan","Chemical Communications","2002","","17","1810","","10.1039/b204321c","","","0.71073","MoKα","","0.1401","0.0695","","","0.1395","0.1649","","","","","","1.009","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114604","14.5278","0.0006","14.5993","0.0006","17.0361","0.0003","90","","90","","90","","3613.3","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 S -","- C22 H24 N2 S -","- C176 H192 N16 S8 -","8","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.0599","0.048","","","0.1155","0.124","","","","","","1.035","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114609","12.4457","0.0009","9.7837","0.0005","28.322","0.002","90","","90","","90","","3448.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C176 H192 N16 -","8","1","","Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang","Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities","Chem.Commun.","2014","50","","7163","","10.1039/C4CC01627K","","","0.7107","MoKα","","0.1496","0.0734","","","0.1593","0.2098","","","","","","1.025","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114631","7.8543","0.0007","18.5471","0.0016","21.14","0.002","90","","90","","90","","3079.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Rong Cai; Dawei Wang; Yunfeng Chen; Wuming Yan; Natalie R. Geise; Sripadh Sharma; Huiyuan Li; Jeffrey L. Petersen; Minyong Li; Xiaodong Shi","Facile synthesis of fluorescent active triazapentalenes through gold-catalyzed triazole-alkyne cyclization","Chem.Commun.","2014","50","","7303","","10.1039/C4CC03175J","","","0.71073","MoKα","","0.0682","0.061","","","0.1722","0.1805","","","","","","1.03","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114661","14.051","0.003","16.095","0.003","33.152","0.007","90","","90","","90","","7497","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H62 O5 P2 Si3 Sr -","- C26 H62 O5 P2 Si3 Sr -","- C208 H496 O40 P16 Si24 Sr8 -","8","1","","Kirsten Reuter; Carsten von Hanisch","Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization","Chem.Commun.","2014","50","","7709","","10.1039/C4CC02489C","","","0.71073","MoKα","","0.0736","0.0366","","","0.0705","0.0763","","","","","","0.792","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114675","13.04","0.003","14.15","0.003","7.44","0.001","90","","90","","90","","1372.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H20 N6 Ni O2 -","- C8 H20 N6 Ni O2 -","- C32 H80 N24 Ni4 O8 -","4","0.5","","Kryatov, Sergey V.; Smith, Millicent B.; Rybak-Akimova, Elena V.; Nazarenko, Alexander Y.","Condensation of acetonitrile into N-acetimidoylacetamidine promoted by a dinuclear nickel(ii) complex","Chemical Communications","2001","","13","1174","","10.1039/b101893k","","","0.71069","MoKα","","0.0585","0.032","","","0.0848","0.0977","","","","","","1.051","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114698","29.4645","0.0008","18.5814","0.0005","31.6479","0.0009","90","","90","","90","","17327","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C132 H192 N4 Ni24 O50 Pt14 -","- C132 H192 N4 Ni24 O50 Pt14 -","- C528 H768 N16 Ni96 O200 Pt56 -","4","0.5","","Femoni, Cristina; Carmela Iapalucci, M.; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni‒Pt carbonyl clusters: synthesis and X-ray structure of the ordered [Ni24Pt14(CO)44]4‒ and the substitutionally Ni/Pt disordered [Ni10(Ni6‒xPtx)Pt8(CO)30]4‒ (x = 1.92) tetraanions","Chemical Communications","2001","","18","1776","","10.1039/b103610f","","","0.71073","MoKα","","0.1113","0.0487","","","0.1141","0.1246","","","","","","0.852","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114704","16.6363","0.0009","15.3576","0.0008","18.9404","0.001","90","","90","","90","","4839.2","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H32 B10 Ge2 O -","- C15 H32 B10 Ge2 O -","- C120 H256 B80 Ge16 O8 -","8","1","","Lee, Junghyun; Lee, Chongchan; Kang, Sang Ook; Ko, Jaejung; Lee, Shim Sung","The first 1,3-digermyla-2-nickela-carboranylene and the Ni-catalyzed double germylation of unsaturated organic substrates","Chemical Communications","2001","","18","1730","","10.1039/b105026p","","","0.71073","MoKα","","0.0911","0.0378","","","0.0781","0.0935","","","","","","0.951","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114800","12.6531","0.0011","9.2906","0.0015","25.595","0.003","90","","90","","90","","3008.8","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-phenyl 4 t-butylbenzamide","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.2241","0.0613","","0.1605","0.1133","","","","0.941","1.041","1.041","","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114866","19.38","0.001","21.2586","0.0013","25.9052","0.0014","90","","90","","90","","10672.7","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl20 N V -","- C40 H36 Cl20 N V -","- C320 H288 Cl160 N8 V8 -","8","1","","Alonso, Pablo J.; Forniés, Juan; García-Monforte, M. Angeles; Martín, Antonio; Menjón, Babil","The first structurally characterised homoleptic organovanadium(iii) compound","Chemical Communications","2001","","20","2138","","10.1039/b106364m","","","0.71073","MoKα","","0.1468","0.0589","","","0.1128","0.1398","","","","","","1.011","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114953","7.886","0.0006","15.5844","0.0011","16.2399","0.0012","90","","90","","90","","1995.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 Ni S2 -","- C8 H6 N4 Ni S2 -","- C64 H48 N32 Ni8 S16 -","8","1","","Zhao, Yingjun; Hong, Maochun; Liang, Yucang; Cao, Rong; Weng, Jiabao; Lu, Shaofang; Li, Wenjie","A paramagnetic lamellar polymer with a high semiconductivity","Chemical Communications","2001","","11","1020","","10.1039/b101422f","","","0.71073","MoKα","","0.0502","0.0374","","","0.0949","0.1028","","","","","","1.017","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7115013","17.4077","0.0014","15.3217","0.0012","18.5088","0.0015","90","","90","","90","","4936.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Me2NN]Cu(styrene)","","","- C29 H33 Cu N2 -","- C29 H33 Cu N2 -","- C232 H264 Cu8 N16 -","8","1","","Dai, Xuliang; Warren, Timothy H.","Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex","Chemical Communications","2001","","19","1998","","10.1039/b105244f","","","0.71073","MoKα","","0.1204","0.0495","","","0.1075","0.124","","","","","","0.868","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115020","12.3331","0.0002","7.3853","0.0002","20.023","0.0009","90","","90","","90","","1823.77","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O -","- C11 H11 N O -","- C88 H88 N8 O8 -","8","1","","Dunn, Peter J.; Higginson, Paul; Sridharan, Visuvanthar; Graham, Alison B.; Grigg, Ronald; Thornton-Pett, Mark","A novel route to substituted 4-methylene-4,5-dihydroisoxazoles mediated by hafnium(iv) chloride","Chemical Communications","2001","","19","1968","","10.1039/b105561p","","","0.71073","MoKα","","0.0634","0.0449","","","0.0971","0.1063","","","","","","1.103","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115155","13.465","0.005","23.39","0.012","25.032","0.009","90","","90","","90","","7884","6","173","2","173","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C28 H56 Cl2 N2 Pd2 Si6 -","- C22.512 H45.024 Cl1.608 N1.608 Pd1.608 Si5.216 -","- C180.096 H360.192 Cl12.864 N12.864 Pd12.864 Si41.728 -","8","1","","Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Smith, J. David","The first structurally characterised σ-bonded organonickel(i) compound. Crystal structures of [Ni{C(SiMe3)2(SiMe2C5H4N-2)}(PPh3)], [Ni{C(SiMe3)(SiMe2C5H4N-2)(SiMe2O)}]2 and [Pd(μ-Cl){C(SiMe3)2(SiMe2C5H4N-2)}]2","Chemical Communications","2000","","8","691","","10.1039/b000374n","","x-ray","0.71073","MoKα","","0.1539","0.0824","","","0.1875","0.2264","","","","","","0.979","","","","has coordinates,has disorder","180265","2020-10-21","18:00:00",""
"7115166","17.974","0.0006","21.189","0.0009","29.793","0.001","90","","90","0.01","90","","11346.7","0.7","294","","294","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H49 F12 N6 O3 P2 Ru -","- C57 H38 F12 N6 O3 P2 Ru -","- C456 H304 F96 N48 O24 P16 Ru8 -","8","1","","Baranoff, Etienne; Collin, Jean-Paul; Furusho, Yoshio; Laemmel, Anne-Chantal; Sauvage, Jean-Pierre","A photochromic system based on photochemical or thermal chelate exchange on Ru(phen)2L2+ (L = diimine or dinitrile ligand)","Chemical Communications","2000","","19","1935","","10.1039/b004982o","","","0.71073","Mo-Kα","","0.187","0.066","","0.848","","0.095","","","9.82","","","1.553","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115180","11.874","0.003","12.617","0.003","13.005","0.003","90","","90","","90","","1948.3","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H7 As F6 N2 S -","- C4 H7 As F6 N2 S -","- C32 H56 As8 F48 N16 S8 -","8","1","","Stanley Cameron, T.; Decken, Andreas; Fang, Min; Passmore, Jack; Wood, Dale J.; Parsons, Simon","Oxidation of methyl groups in the reaction of sulfur homopolyatomic cations with acetonitrile: formation and crystal structure of the novel trithietanylium ring","Chemical Communications","1999","","18","1801","","10.1039/a904107i","","","0.71073","MoKα","","0.0758","0.0433","","","0.0636","0.0737","","","","","","1.067","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7115215","16.8315","0.0005","18.176","0.001","39.571","0.003","90","","90","","90","","12105.9","1.2","213","2","213","2","","","","","","","synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C61 H46 Cl4 Cr5 N20 -","- C61 H46 Cl4 Cr5 N20 -","- C488 H368 Cl32 Cr40 N160 -","8","1","","Albert Cotton, F.; Daniels, Lee M.; Murillo, Carlos A.; Wang, Xiaoping; Murillo, Carlos A.","Getting the right answer to a key question concerning molecular wires","Chemical Communications","1999","","24","2461","","10.1039/a906727b","","","0.71073","MoKα","","0.1022","0.0831","","0.2079","0.1895","","","","1.264","1.307","1.307","","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115270","10.6547","0.0013","14.1169","0.001","16.878","0.0013","90","","90","","90","","2538.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 O3 -","- C11 H10 Br2 O3 -","- C88 H80 Br16 O24 -","8","1","","Tian-Yang Yu; Yao Wang; Xiu-Qin Hu; Peng-Fei Xu","Triphenylphosphine oxide-catalyzed stereoselective poly- and dibromination of unsaturated compounds","Chem.Commun.","2014","50","","7817","","10.1039/C4CC02847C","","","0.7107","MoKα","","0.1172","0.0548","","","0.1121","0.1486","","","","","","1.034","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115319","12.6814","0.0012","13.1877","0.0013","16.1788","0.0016","90","","90","","90","","2705.7","0.5","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 B O2 Se -","- C12 H17 B O2 Se -","- C96 H136 B8 O16 Se8 -","8","1","","Xavier Sanz; Christopher M. Vogels; Andreas Decken; Carles Bo; Stephen A. Westcott; Elena Fernandez","Face to face activation of a phenylselenium borane with alpha,beta-unsaturated carbonyl substrates: facile synthesis of C-Se bonds","Chem.Commun.","2014","50","","8420","","10.1039/C4cc02098G","","x-ray","0.71073","MoKα","","0.063","0.0331","","","0.0712","0.084","","","","","","1.027","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115344","9.7748","0.0016","18.042","0.004","24.277","0.005","90","","90","","90","","4281.4","1.5","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 B Cl N3 -","- C23 H31 B Cl N3 -","- C184 H248 B8 Cl8 N24 -","8","1","","Ying Kai Loh; Che Chang Chong; Rakesh Ganguly; Yongxin Li; Dragoslav Vidovic; Rei Kinjo","1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid","Chem.Commun.","2014","50","","8561","","10.1039/C4cc03379E","","","0.71073","MoKα","","0.1027","0.0671","","","0.1731","0.203","","","","","","1.098","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115426","7.512","0.003","16.751","0.006","26.703","0.01","90","","90","","90","","3360","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F N2 O2 -","- C19 H17 F N2 O2 -","- C152 H136 F8 N16 O16 -","8","1","","Yuanyuan An; Danqing Zheng; Jie Wu","An unexpected copper(II)-catalyzed three-component reaction of quinazoline 3-oxide, alkylidenecyclopropane, and water","Chem.Commun.","2014","50","","9165","","10.1039/C4cc04341C","","","0.71073","MoKα","","0.1126","0.0482","","","0.0958","0.1118","","","","","","0.879","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115505","12.1168","0.0009","23.2879","0.0019","24.9924","0.0019","90","","90","","90","","7052.2","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl F3 P2 Pd -","- C42 H32 Cl F3 P2 Pd -","- C336 H256 Cl8 F24 P16 Pd8 -","8","1","","Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb","[Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)]","Chem.Commun.","2014","50","","9859","","10.1039/C4cc04203D","","","0.71073","MoKα","","0.0862","0.0582","","","0.1406","0.1533","","","","","","1.086","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115514","19.539","0.002","9.9443","0.0011","27.28","0.003","90","","90","","90","","5300.5","1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H39 Cr N3 O2 S -","- C28 H39 Cr N3 O2 S -","- C224 H312 Cr8 N24 O16 S8 -","8","1","","Wen Zhou; Brian O. Patrick; Kevin M. Smith","Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity","Chem.Commun.","2014","50","","9958","","10.1039/C4cc04545A","","","0.71073","MoKα","","0.1084","0.0579","","","0.1153","0.1338","","","","","","1.078","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115533","12.1138","0.001","15.4374","0.0014","22.576","0.002","90","","90","","90","","4221.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ALICI-20-A-PM-2","","","- C22 H23 N2 O2 S -","- C22 H23 N2 O2 S -","- C176 H184 N16 O16 S8 -","8","1","","Alicia Martos-Redruejo; Ruth Lopez-Duran; Elena Bunuel; Diego J. Cardenas","Ligand-controlled divergent formation of alkenyl- or allylboronates catalyzed by Pd, and synthetic applications","Chem.Commun.","2014","50","","10094","","10.1039/C4cc04092A","","","0.71073","","","0.0678","0.0463","","","0.1445","0.1733","","","","","","1.011","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115544","6.56","0.003","16.644","0.007","33.009","0.015","90","","90","","90","","3604","3","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Br N2 O2 -","- C20 H19 Br N2 O2 -","- C160 H152 Br8 N16 O16 -","8","1","","Etienne Pair; Christophe Berini; Romain Noel; Morgane Sanselme; Vincent Levacher; Jean-Francois Briere","Organocatalysed multicomponent synthesis of pyrazolidinones: Meldrum's acid approach","Chem.Commun.","2014","50","","10218","","10.1039/C4cc04852k","","x-ray","0.71073","MoKα","","0.1382","0.0699","","","0.1575","0.187","","","","","","1.016","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115546","10.802","0.002","8.0122","0.0016","31.156","0.006","90","","90","","90","","2696.5","0.9","293","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Xue, Pengchong; Yao, Boqi; Sun, Jiabao; Zhang, Zhenqi; Lu, Ran","Emission enhancement of a coplanar π-conjugated gelator without any auxiliary substituents","Chemical Communications (Cambridge, United Kingdom)","2014","50","71","10284","10286","10.1039/c4cc04869e","","","0.71073","MoKα","","0.0588","0.0437","","","0.121","0.144","","","","","","1.095","","","","has coordinates","210825","2020-10-21","18:00:00",""
"7115551","21.4875","0.0009","20.5465","0.0009","21.5438","0.0009","90","","90","","90","","9511.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl F6 N5 O2 -","- C22 H18 Cl F6 N5 O2 -","- C352 H288 Cl16 F96 N80 O32 -","16","2","","Anton Lishchynskyi; Guillaume Berthon; Vladimir V. Grushin","Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media","Chem.Commun.","2014","50","","10237","","10.1039/C4cc04930F","","","0.71073","MoKα","","0.0783","0.0492","","","0.1227","0.1403","","","","","","1.013","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115556","14.9729","0.0006","14.7878","0.0006","17.7603","0.0007","90","","90","","90","","3932.4","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl2 Dy N3 O8 -","- C13 H20 Cl2 Dy N3 O8 -","- C104 H160 Cl16 Dy8 N24 O64 -","8","1","","Chen, Qi; Meng, Yin-Shan; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Hao-Ling; Gao, Song","A 1D dysprosium chain with slow magnetic relaxation constructed from a pyridine-N-oxide ligand","Chemical Communications (Cambridge, United Kingdom)","2014","50","72","10434","10437","10.1039/c4cc03536d","","","0.71073","MoKα","","0.0269","0.0207","","","0.0473","0.0497","","","","","","1.068","","","","has coordinates","211017","2020-10-21","18:00:00",""
"7115585","10.7005","0.0003","15.6464","0.0005","19.4063","0.0007","90","","90","","90","","3249.09","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H60 N6 Na2 -","- C28 H60 N6 Na2 -","- C112 H240 N24 Na8 -","4","0.5","","Kennedy, Alan R.; Leenhouts, Sarah M.; Liggat, John J.; Martínez-Martínez, Antonio J.; Miller, Kimberley; Mulvey, Robert E.; O'Hara, Charles T.; O'Keefe, Philip; Steven, Alan","Dehydromethylation of alkali metal salts of the utility amide 2,2,6,6-tetramethylpiperidide (TMP)","Chemical Communications (Cambridge, United Kingdom)","2014","50","73","10588","10591","10.1039/c4cc04959d","","","1.54184","CuKα","","0.0705","0.0527","","","0.1453","0.156","","","","","","1.079","","","","has coordinates","210823","2020-10-21","18:00:00",""
"7115601","11.9799","0.0018","7.3695","0.0013","25.427","0.004","90","","90","","90","","2244.8","0.6","107","2","107","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C96 H80 N32 O24 -","8","1","","Komala Pandurangan; Jonathan A. Kitchen; Salvador Blasco; Francesca Paradisi; Thorfinnur Gunnlaugsson","Supramolecular pyridyl urea gels as soft matter with antibacterial properties against MRSA and/or E. coli","Chem.Commun.","2014","50","","10819","","10.1039/C4cc04028G","","","1.54178","CuKα","","0.0407","0.0354","","","0.0875","0.0921","","","","","","1.092","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115632","23.24","0.0017","13.2721","0.0009","47.443","0.003","90","","90","","90","","14633.5","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C75 H66 F12 N18 O P2 Ru -","- C75 H66 F12 N18 O P2 Ru -","- C600 H528 F96 N144 O8 P16 Ru8 -","8","1","","Alexander J. Metherell; Michael D. Ward","Stepwise assembly of an adamantoid Ru4Ag6 cage by control of metal coordination geometry at specific sites","Chem.Commun.","2014","50","","10979","","10.1039/C4cc05421K","","","0.71073","MoKα","","0.1537","0.1329","","","0.3021","0.3103","","","","","","1.197","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115710","15.1665","0.0012","17.7506","0.0016","24.997","0.002","90","","90","","90","","6729.6","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H40 N6 O6 -","- C36 H40 N6 O6 -","- C288 H320 N48 O48 -","8","1","","Murat K. Deliomeroglu; Vincent M. Lynch; Jonathan L. Sessler","Conformationally switchable non-cyclic tetrapyrrole receptors: synthesis of tetrakis(1H-pyrrole-2-carbaldehyde) derivatives and their anion binding properties","Chem.Commun.","2014","50","","11863","","10.1039/C4cc05903D","","","0.71073","MoKα","","0.1068","0.0676","","","0.1114","0.1226","","","","","","1.134","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115734","26.1622","0.0018","17.7752","0.0011","15.1251","0.0011","90","","90","","90","","7033.8","0.8","100","2","100","2","","","","","","","Louise Karagiannidis","7","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Cl F10 N3 O S2 -","- C29 H46 Cl F10 N3 O S2 -","- C232 H368 Cl8 F80 N24 O8 S16 -","8","1","","Louise E. Karagiannidis; Cally J. E. Haynes; Katie J. Holder; Isabelle L. Kirby; Stephen J. Moore; Neil J. Wells; Philip A. Gale","Highly effective yet simple transmembrane anion transporters based upon ortho-phenylenediamine bis-ureas","Chem.Commun.","2014","50","","12050","","10.1039/C4cc05519E","","","0.71075","MoKα","","0.0524","0.0334","","","0.0804","0.0858","","","","","","0.99","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115771","9.9861","0.0005","9.1996","0.0005","16.6035","0.0008","90","","90","","90","","1525.33","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-(diamidoximyl)imidazole","","- C5 H8 N6 O2 -","- C5 H8 N6 O2 -","- C40 H64 N48 O16 -","8","1","","Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers","Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants","Chem.Commun.","2014","50","","12504","","10.1039/C4cc06370H","","","0.71073","MoKα","","0.0454","0.0334","","","0.1084","0.1208","","","","","","0.953","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115827","11.7502","0.0018","12.94","0.002","26.299","0.004","90","","90","","90","","3998.7","1.1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 F0 P0 Rh S2 -","- C12 H25 B10 Rh S2 -","- C96 H200 B80 Rh8 S16 -","8","1","","Xiaolei Zhang; Zhiwen Zhou; Hong Yan","Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate","Chem.Commun.","2014","50","","13077","","10.1039/C4cc06171C","","","0.71073","MoKα","","0.0401","0.0363","","","0.1039","0.1077","","","","","","1.045","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115912","17.8543","0.0003","15.2865","0.0002","19.0223","0.0002","90","","90","","90","","5191.75","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 I4 N6 Zn2 -","- C18 H12 I4 N6 Zn2 -","- C144 H96 I32 N48 Zn16 -","8","1","","Tatsuhiro Kojima; Wanuk Choi; Masaki Kawano","Single-crystal growth of coordination networks via the gas phase and dependence of iodine encapsulation on the crystal size","Chem.Commun.","2014","50","","13793","","10.1039/C4cc06342B","","","0.7","synchrotron","","0.0737","0.0587","","","0.1883","0.2035","","","","","","1.109","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115959","31.3073","0.0006","21.1481","0.0004","16.0579","0.0003","90","","90","","90","","10631.8","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H19 Cl4 Cu F20 N4 S2 -","- C57.998 H18.996 Cl3.996 Cu F20 N4 S2 -","- C463.984 H151.968 Cl31.968 Cu8 F160 N32 S16 -","8","1","","Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta","Doubly N-confused isophlorin: synthesis, structure and copper coordination","Chem.Commun.","2014","50","","14593","","10.1039/C4cc06259K","","","1.54187","CuKα","","0.0728","0.0665","","","0.1911","0.1965","","","","","","1.057","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115998","12.4377","0.0003","12.2724","0.0004","21.0852","0.0006","90","","90","","90","","3218.45","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C6 H11 Mn2 N3 S5 Sb2 -","- C48 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0251","0.0211","","","0.0496","0.0521","","","","","","1.005","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115999","12.4568","0.0003","12.2988","0.0003","21.002","0.0005","90","","90","","90","","3217.58","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C6 H11 Mn2 N3 S5 Sb2 -","- C48 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0279","0.023","","","0.0518","0.0551","","","","","","1.006","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116000","12.492","0.0003","12.3011","0.0004","20.927","0.0006","90","","90","","90","","3215.75","0.16","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0306","0.0248","","","0.0512","0.0545","","","","","","1.009","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116001","12.5276","0.0004","12.3171","0.0005","20.8638","0.0008","90","","90","","90","","3219.4","0.2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0353","0.0271","","","0.0615","0.0672","","","","","","1.004","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116002","12.5694","0.0005","12.3552","0.0005","20.8407","0.0009","90","","90","","90","","3236.5","0.2","323","2","323","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0373","0.028","","","0.0621","0.0689","","","","","","1.003","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116003","12.5883","0.0005","12.352","0.0005","20.8164","0.0008","90","","90","","90","","3236.8","0.2","373","2","373","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C5.997 H11 Mn2 N3 S5 Sb2 -","- C47.976 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0425","0.0305","","","0.0667","0.0755","","","","","","1.009","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116004","12.6068","0.0007","12.3619","0.0008","20.8422","0.0013","90","","90","","90","","3248.1","0.3","473","2","473","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H11 Mn2 N3 S5 Sb2 -","- C6 H11 Mn2 N3 S5 Sb2 -","- C48 H88 Mn16 N24 S40 Sb16 -","8","1","","Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang","A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components","Chem.Commun.","2014","50","","14960","","10.1039/C4cc06373B","","","0.71073","MoKα","","0.0639","0.0441","","","0.1","0.1184","","","","","","1.008","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7116009","11.3435","0.0019","12.737","0.002","24.224","0.004","90","","90","","90","","3499.9","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 I N2 -","- C16 H21 I N2 -","- C128 H168 I8 N16 -","8","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0895","0.0437","","","0.0899","0.1006","","","","","","0.994","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116036","9.6965","0.0013","14.8468","0.0017","30.235","0.004","90","","90","","90","","4352.7","1","117","2","117","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 F6 N2 P -","- C24 H19 F6 N2 P -","- C192 H152 F48 N16 P8 -","8","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.0849","0.0608","","","0.1622","0.1782","","","","","","1.062","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116038","18.9839","0.0019","10.2711","0.001","22.667","0.002","90","","90","","90","","4419.7","0.7","106","2","106","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H21 F3 N2 O3 S -","- C25 H21 F3 N2 O3 S -","- C200 H168 F24 N16 O24 S8 -","8","1","","Debasish Ghorai; Joyanta Choudhury","Exploring a unique reactivity of N-heterocyclic carbenes (NHC) in rhodium(III)-catalyzed intermolecular C-H activation/annulation","Chem.Commun.","2014","50","","15159","","10.1039/C4cc07170K","","","0.71073","MoKα","","0.0811","0.0461","","","0.0987","0.1117","","","","","","1.006","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116043","9.4439","0.0004","11.2685","0.0004","28.3698","0.0016","90","","90","","90","","3019.1","0.2","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 N4 O6 -","- C30 H46 N4 O6 -","- C120 H184 N16 O24 -","4","0.5","","Can Xue; Chunling Fu; Shengming Ma","Highly regio- and stereoselective nitro-oxoamination of mono-substituted allenes","Chem.Commun.","2014","50","","15333","","10.1039/C4cc05743K","","","0.71073","MoKα","","0.0491","0.0385","","","0.0877","0.0936","","","","","","1.035","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116050","8.31","0.006","8.664","0.006","65.12","0.04","90","","90","","90","","4688","6","283","2","283","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cl O3 -","- C27 H29 Cl O3 -","- C216 H232 Cl8 O24 -","8","1","","Veejendra K. Yadav; Ashish K. Verma; Piyush Kumar; Vijaykumar Hulikal","2-Arylcyclopropylmethanol as a substitute for homoallyl aryl alcohol in the construction of cis-2,6-disubstituted tetrahydropyran: synthesis of (+/-)-centrolobine","Chem.Commun.","2014","50","","15457","","10.1039/C4cc07796B","","","0.71073","MoKα","","0.1715","0.0776","","","0.1805","0.2468","","","","","","1.073","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116089","13.2828","0.00018","10.65296","0.00014","37.6191","0.0005","90","","90","","90","","5323.15","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 N O2 -","- C34 H31 N O2 -","- C272 H248 N8 O16 -","8","1","","Jiangang Mao; Weiliang Bao","Palladium-catalyzed [2+1+1] annulation of norbornenes with (z)-bromostyrenes: synthesis of bismethylenecyclobutanes via twofold C(sp2)-H bond activation","Chem.Commun.","2014","50","","15726","","10.1039/C4cc06545J","","","1.54184","CuKα","","0.0464","0.0416","","","0.114","0.1191","","","","","","1.023","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116093","11.7353","0.0003","14.3656","0.0004","32.1047","0.0009","90","","90","","90","","5412.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H44 B Br N2 Ni P2 -","- C24 H44 B Br N2 Ni P2 -","- C192 H352 B8 Br8 N16 Ni8 P16 -","8","1","","Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez","Boryl-assisted hydrogenolysis of a nickel-methyl bond","Chem.Commun.","2014","50","","15718","","10.1039/C4cc07616H","","","0.71073","MoKα","","0.0661","0.0438","","","0.092","0.0996","","","","","","1.055","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116094","11.6644","0.0005","14.3785","0.0006","32.0458","0.0014","90","","90","","90","","5374.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 Ni P2 -","- C25 H47 B N2 Ni P2 -","- C200 H376 B8 N16 Ni8 P16 -","8","1","","Natalia Curado; Celia Maya; Joaquin Lopez-Serrano; Amor Rodriguez","Boryl-assisted hydrogenolysis of a nickel-methyl bond","Chem.Commun.","2014","50","","15718","","10.1039/C4cc07616H","","","0.71073","MoKα","","0.0567","0.0393","","","0.0964","0.1059","","","","","","1.019","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116098","16.25","0.003","16.383","0.003","26.392","0.005","90","","90","","90","","7026","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H60 Mg N2 O2 -","- C36 H60 Mg N2 O2 -","- C288 H480 Mg8 N16 O16 -","8","1","","T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel","From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl","Chem.Commun.","2014","50","","15677","","10.1039/C4cc07680J","","","0.71073","MoKα","","0.0881","0.0483","","","0.0968","0.108","","","","","","0.908","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116103","16.0897","0.0007","14.5131","0.0006","19.1832","0.0008","90","","90","","90","","4479.5","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 F3 Mn N5 O5 -","- C21 H17 F3 Mn N5 O5 -","- C168 H136 F24 Mn8 N40 O40 -","8","1","","Lucas Henry; Christoph Schneider; Benedict Mutzel; Peter V. Simpson; Christoph Nagel; Katharina Fucke; Ulrich Schatzschneider","Amino acid bioconjugation via iClick reaction of an oxanorbornadiene-masked alkyne with a MnI(bpy)(CO)3-coordinated azide","Chem.Commun.","2014","50","","15692","","10.1039/C4cc07892F","","x-ray","0.71073","MoKα","K-L~3~","0.0501","0.0306","","","","0.0783","","","","","","1.0427","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116108","18.93","0.005","23.904","0.003","26.047","0.003","90","","90","","90","","11786","4","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C48 H53 Ag B Cl8 F Fe2 O6 P4 -","- C48 H53 Ag B Cl8 F Fe2 O6 P4 -","- C384 H424 Ag8 B8 Cl64 F8 Fe16 O48 P32 -","8","1","","Holger Braunschweig; Rian D. Dewhurst; Florian Hupp; Christoph Schneider","Silver(I) and thallium(I) cations as unsupported bridges between two metal bases","Chem.Commun.","2014","50","","15685","","10.1039/C4cc08508F","","","0.71073","MoKα","","0.0587","0.033","","","0.0603","0.0677","","","","","","1.018","","","","has coordinates,has disorder","180275","2020-10-21","18:00:00",""
"7116119","7.4208","0.0015","19.207","0.004","29.746","0.006","90","","90","","90","","4239.7","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C208 H168 N8 O24 -","8","1","","Arash Mouradzadegun; Fatemeh Abadast","An improved organic/inorganic solid receptor for colorimetric cyanide-chemosensing in water: towards new mechanism aspects, simplistic use and portability","Chem.Commun.","2014","50","","15983","","10.1039/C4cc06756H","","","0.71073","MoKα","","0.1727","0.055","","","0.12","0.145","","","","","","0.724","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116147","8.784","0.002","20.52","0.005","29.114","0.007","90","","90","","90","","5248","2","93","","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-t-Butyl-1,2-diphenylbenzo[7,8]indolizino[6,5,4,3-def]phenanthridine","","- C38 H29 N -","- C38 H29 N -","- C304 H232 N8 -","8","1","","S. Ito; Y. Tokimaru; K. Nozaki","Isoquinolino[4,3,2-de]phenanthridine: synthesis and its use in 1,3-dipolar cycloadditions to form nitrogen-containing polyaromatic hydrocarbons","Chem.Commun.","2015","51","","221","","10.1039/C4cc06643J","","","0.71075","MoKα","","0.0723","0.0592","","","0.1202","0.1272","","","","","","1.143","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116148","9.666","0.003","22.449","0.006","29.445","0.008","90","","90","","90","","6389","3","93","","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 4,4'-(8-t-butylbenzo[7,8]indolizino[6,5,4,3-def]phenanthridine-1,2-diyl)dibenzoate","","- C42 H33 N O4 -","- C42 H33 N O4 -","- C336 H264 N8 O32 -","8","1","","S. Ito; Y. Tokimaru; K. Nozaki","Isoquinolino[4,3,2-de]phenanthridine: synthesis and its use in 1,3-dipolar cycloadditions to form nitrogen-containing polyaromatic hydrocarbons","Chem.Commun.","2015","51","","221","","10.1039/C4cc06643J","","","0.71075","MoKα","","0.0865","0.0799","","","0.1425","0.1455","","","","","","1.301","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116158","7.867","0.004","13.181","0.006","23.94","0.011","90","","90","","90","","2482","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C120 H96 O16 S8 -","8","1","","Yong Luo; Xiaolin Pan; Chen Chen; Liangqing Yao; Jie Wu","An unexpected reaction of 2-alkynylaryldiazonium tetrafluoroborate with sulfur dioxide","Chem.Commun.","2015","51","","180","","10.1039/C4cc07938H","","","0.71073","MoKα","","0.0842","0.0579","","","0.1537","0.1674","","","","","","1.031","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116159","20.509","0.002","16.0788","0.0019","26.515","0.002","90","","90","","90","","8743.6","1.5","150.03","0.12","150.03","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(bis(triisopropylsilyl)amido) samarium","","- C36 H84 N2 Si4 Sm -","- C36 H84 N2 Si4 Sm -","- C288 H672 N16 Si32 Sm8 -","8","1","","Nicholas F. Chilton; Conrad A. P. Goodwin; David P. Mills; Richard E. P. Winpenny","The first near-linear bis(amide) f-block complex: a blueprint for a high temperature single molecule magnet","Chem.Commun.","2015","51","","101","","10.1039/C4cc08312A","","","0.71073","MoKα","","0.1959","0.0728","","","0.0797","0.1085","","","","","","0.977","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116182","16.379","0.004","10.494","0.003","21.831","0.005","90","","90","","90","","3752.3","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H15 B Br F2 N O -","- C21 H15 B Br F2 N O -","- C168 H120 B8 Br8 F16 N8 O8 -","8","1","","Yang, Zheng; Jiang, Bo; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Li, Guigen","Synthesis of enaminones and their difluoroboron complexes through domino aryl migration.","Chemical communications (Cambridge, England)","2014","51","7","1267","1270","10.1039/c4cc08257e","","","0.71073","MoKα","","0.0621","0.0485","","","0.1885","0.2134","","","","","","1.077","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116245","25.3083","0.0018","17.1165","0.0012","42.198","0.003","90","","90","","90","","18280","2","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C44 H44 F6 N4 O6 S2 -","- C44 H44 F6 N4 O6 S2 -","- C704 H704 F96 N64 O96 S32 -","16","2","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.1946","0.1056","","","0.2538","0.2946","","","","","","1.05","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116248","7.7728","0.0002","23.8635","0.0006","36.1252","0.0008","90","","90","","90","","6700.7","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P b c a","-P 2ac 2ab","61","","","","- C42 H34 I2 N2 -","- C42 H34 I2 N2 -","- C336 H272 I16 N16 -","8","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0791","0.0611","","","0.1264","0.1329","","","","","","1.269","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116295","6.1546","0.0002","15.4938","0.0006","28.98","0.0011","90","","90","","90","","2763.48","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N S2 -","- C15 H13 N S2 -","- C120 H104 N8 S16 -","8","1","","Xiao, Xiao; Feng, Minghao; Jiang, Xuefeng","Transition-metal-free persulfuration to construct unsymmetrical disulfides and mechanistic study of the sulfur redox process.","Chemical communications (Cambridge, England)","2015","51","20","4208","4211","10.1039/c4cc09633a","","","0.71073","MoKα","","0.0641","0.038","","","0.089","0.1029","","","","","","1.021","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116301","11.3613","0.0005","15.8902","0.0006","29.9856","0.0012","90","","90","","90","","5413.4","0.4","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H27 Br N2 O5 S2 -","- C27 H27 Br N2 O5 S2 -","- C216 H216 Br8 N16 O40 S16 -","8","1","","Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo","Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.","Chemical communications (Cambridge, England)","2015","51","12","2273","2276","10.1039/c4cc09077b","","","0.71073","MoKα","","0.0452","0.0292","","","0.0767","0.0896","","","","","","1.105","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116338","5.7076","0.0011","20.718","0.004","21.125","0.004","90","","90","","90","","2498","0.8","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N S -","- C16 H13 N S -","- C128 H104 N8 S8 -","8","1","","Yunfeng Liao; Yi Peng; Hongrui Qi; Guo-Jun Deng; Hang Gonga; Chao-Jun Li","Palladium-catalyzed benzothieno[2,3-b]indole formation via dehydrative-dehydrogenative double C-H sulfuration using sulfur powder, indoles and cyclohexanones","Chem.Commun.","2015","51","","1031","","10.1039/C4cc08370A","","","0.71073","MoKα","","0.093","0.0835","","","0.1728","0.1774","","","","","","1.304","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116360","25.174","0.005","14.054","0.003","25.198","0.005","90","","90","","90","","8915","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H69 Ge P Si8 -","- C29 H69 Ge P Si8 -","- C232 H552 Ge8 P8 Si64 -","8","1","","Malgorzata Walewska; Judith Baumgartner; Christoph Marschner","Synthesis of vinyl germylenes","Chem.Commun.","2015","51","","276","","10.1039/C4CC07675C","","","0.71073","MoKα","","0.0483","0.0395","","","0.0965","0.1004","","","","","","1.068","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116391","15.504","0.003","15.364","0.003","18.127","0.004","90","","90","","90","","4317.9","1.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","BMOF","","- C15.74 H19.56 N9.19 O Zn2 -","- C15.74 H19.555 N9.185 O Zn2 -","- C125.92 H156.44 N73.48 O8 Zn16 -","8","1","","Yichao Lin; Qiuju Zhang; Chongchong Zhao; Huailong Li; Chunlong Kong; Cai Shen; Liang Chen","An exceptionally stable functionalized metal-organic framework for lithium storage","Chem.Commun.","2015","51","","697","","10.1039/C4cc07149B","","","0.71073","MoKα","","0.0696","0.0519","","","0.1357","0.1482","","","","","","1.063","","","","has coordinates,has disorder","180277","2020-10-21","18:00:00",""
"7116426","13.4876","0.0004","18.3802","0.0006","27.8072","0.0009","90","","90","","90","","6893.5","0.4","142.95","0.1","142.95","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H39 Ir N2 O2 S2 -","- C39 H39 Ir N2 O2 S2 -","- C312 H312 Ir8 N16 O16 S16 -","8","1","","Ming Li; Baozhan Zheng; Daibing Luo; Huiqin Sun; Ning Wang; Yan Huang; Jun Dai; Dan Xiao; Shi-Jian Su; Zhiyun Lu","Small molecular neutral microcrystalline iridium(III) complexes as promising molecular oxygen sensors","Chem.Commun.","2015","51","","1926","","10.1039/C4cc07252A","","","0.71073","MoKα","","0.0804","0.0598","","","0.1123","0.123","","","","","","1.15","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116441","22.6289","0.0007","21.7265","0.0007","29.7275","0.0015","90","","90","","90","","14615.4","1","186","2","186","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H87 N12 Na O12 Rh4 -","- C66 H82 N12 Na O12 Rh4 -","- C528 H656 N96 Na8 O96 Rh32 -","8","1","","Ayana Kashima; Mika Sakate; Hiromi Ota; Akira Fuyuhiro; Yukinari Sunatsuki; Takayoshi Suzuki","Thyminate(2-)-bridged cyclic tetranuclear rhodium(III) complexes formed by a template of a sodium, calcium or lanthanoid ion","Chem.Commun.","2015","51","","1889","","10.1039/C4cc09087J","","","0.71075","MoKα","","0.0578","0.0434","","","0.1332","0.1464","","","","","","1.052","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116458","15.517","0.002","8.4691","0.0013","23.518","0.003","90","","90","","90","","3090.6","0.7","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 -","- C21 H18 N2 -","- C168 H144 N16 -","8","1","","Yang, Xiao-Fei; Hu, Xu-Hong; Feng, Chao; Loh, Teck-Peng","Rhodium(iii)-catalyzed C7-position C-H alkenylation and alkynylation of indolines.","Chemical communications (Cambridge, England)","2015","51","13","2532","2535","10.1039/c4cc09330e","","","0.71073","","","0.1334","0.0641","","","0.1393","0.1733","","","","","","1.034","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116466","13.099","0.017","9.359","0.012","24.26","0.03","90","","90","","90","","2974","7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O -","- C20 H15 N O -","- C160 H120 N8 O8 -","8","1","","Yan, Rulong; Li, Xiaoni; Yang, Xiaodong; Kang, Xing; Xiang, Likui; Huang, Guosheng","A novel one-pot method for the synthesis of substituted furopyridines: iodine-mediated oxidation of enaminones by tandem metal-free cyclization.","Chemical communications (Cambridge, England)","2015","51","13","2573","2576","10.1039/c4cc08834d","","","0.71073","MoKα","","0.2492","0.0858","","","0.1204","0.1654","","","","","","1.021","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116485","13.2113","0.0006","14.5597","0.0008","21.1415","0.0012","90","","90","","90","","4066.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H35 N Ni P2 -","- C18 H35 N Ni P2 -","- C144 H280 N8 Ni8 P16 -","8","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0732","0.0415","","","0.0783","0.0887","","","","","","1.041","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116487","15.7937","0.0004","13.5622","0.0003","20.653","0.0005","90","","90","","90","","4423.82","0.18","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H35 N Ni O2 P2 -","- C19 H35 N Ni O2 P2 -","- C152 H280 N8 Ni8 O16 P16 -","8","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","1.54184","CuKα","","0.0301","0.0257","","","0.0644","0.0667","","","","","","1.04","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116501","14.2479","0.0013","14.493","0.0015","30.515","0.003","90","","90","","90","","6301.2","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H40 F12 N4 Ni O P -","- C28 H40 F12 N4 Ni O P -","- C224 H320 F96 N32 Ni8 O8 P8 -","8","1","","Fengzhi Tang; Nigam P. Rath; Liviu M. Mirica","Stable bis(trifluoromethyl)nickel(III) complexes","Chem.Commun.","2015","51","","3113","","10.1039/C4cc09594D","","","0.71073","MoKα","","0.1687","0.0647","","","0.138","0.1906","","","","","","1.006","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116548","24.645","0.0006","25.8062","0.0005","37.2338","0.0008","90","","90","","90","","23680.5","0.9","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C151 H140 N2 Nb2 O4 -","- C151 H140 N2 Nb2 O4 -","- C1208 H1120 N16 Nb16 O32 -","8","1","","Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola","Niobium-nitrides derived from nitrogen splitting","Chem.Commun.","2015","51","","3526","","10.1039/C4cc09563D","","","0.71073","MoKα","","0.2176","0.092","","","0.2415","0.3249","","","","","","1.041","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116566","16.6036","0.0003","17.8851","0.0003","18.2024","0.0003","90","","90","","90","","5405.33","0.16","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Sm2 -","- C64 H76 N4 Sm2 -","- C256 H304 N16 Sm8 -","4","0.5","","Nocton, Grégory; Ricard, Louis","Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium","Chemical Communications (Cambridge, United Kingdom)","2015","51","17","3578","3581","10.1039/c5cc00289c","","x-ray","0.71073","MoKα","","0.0774","0.0526","","","0.1312","0.162","","","","","","1.229","","","","has coordinates","210894","2020-10-21","18:00:00",""
"7116749","10.5102","0.0003","18.8729","0.0006","23.8796","0.0006","90","","90","","90","","4736.7","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H44 Li N5 -","- C21 H44 Li N5 -","- C168 H352 Li8 N40 -","8","1","","Stuart D. Robertson; Alan R. Kennedy; John J. Liggat; Robert E. Mulvey","Facile synthesis of a genuinely alkane-soluble but isolable lithium hydride transfer reagent","Chem.Commun.","2015","51","","5452","","10.1039/C4cc06421F","","","0.71073","MoKα","","0.0855","0.0543","","","0.1035","0.1156","","","","","","1.052","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116750","10.3097","0.0002","15.5055","0.0003","32.3133","0.0007","90","","90","","90","","5165.51","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 B O2 Zr -","- C30 H31 B O2 Zr -","- C240 H248 B8 O16 Zr8 -","8","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","1.54178","CuKα","","0.0721","0.0611","","","0.1457","0.1539","","","","","","1.153","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116751","8.2167","0.0008","20.788","0.002","22.069","0.002","90","","90","","90","","3769.6","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B O2 Te -","- C20 H21 B O2 Te -","- C160 H168 B8 O16 Te8 -","8","1","","Gang He; Benjamin D. Wiltshire; Paul Choi; Aliaksandr Savin; Shuai Sun; Arash Mohammadpour; Michael J. Ferguson; Robert McDonald; Samira Farsinezhad; Alex Brown; Karthik Shankar; Eric Rivard","Phosphorescence within benzotellurophenes and color tunable tellurophenes under ambient conditions","Chem.Commun.","2015","51","","5444","","10.1039/C4cc06529H","","","0.71073","MoKα","","0.0365","0.0341","","","0.0949","0.0969","","","","","","1.044","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116757","9.89","0.002","7.3","0.0015","32.941","0.007","90","","90","","90","","2378.2","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","","Soumitra Agasti; Upendra Sharma; Togati Naveen; Debabrata Maiti","Orthogonal selectivity with cinnamic acids in 3-substituted benzofuran synthesis through C-H olefination of phenols","Chem.Commun.","2015","51","","5375","","10.1039/C4cc07026G","","","0.71073","MoKα","","0.0838","0.0722","","","0.2655","0.2808","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116792","14.6822","0.0018","6.6231","0.0008","20.97","0.003","90","","90","","90","","2039.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.71073","MoKα","","0.2986","0.1958","","","0.4158","0.4813","","","","","","1.3261","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116825","20.9493","0.0002","14.21072","0.0001","22.37442","0.00014","90","","90","","90","","6660.97","0.09","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(DIPPNacNac)(Fp)]","","- C36 H46 Fe N2 O2 Zn -","- C36 H46 Fe N2 O2 Zn -","- C288 H368 Fe8 N16 O16 Zn8 -","8","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis, molecular and electronic structure, and reactions of a Zn-Hg-Zn bonded complex","Chem.Commun.","2015","51","","5743","","10.1039/C5cc00637F","","","1.54184","CuKα","","0.0245","0.0231","","0.0289","0.0279","0.0276","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116839","18.0049","0.0009","9.0457","0.0004","32.7494","0.0015","90","","90","","90","","5333.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H26 N4 Ni S2 -","- C32 H26 N4 Ni S2 -","- C256 H208 N32 Ni8 S16 -","8","1","","Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini","On Zn(II) 2,2'-bisdipyrrin circular helicates","Chem.Commun.","2015","51","","5906","","10.1039/C5cc00724K","","","0.71073","MoKα","","0.0739","0.0417","","","0.1042","0.1267","","","","","","1.089","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116909","11.5359","0.0011","15.7377","0.0015","23.975","0.002","90","","90","","90","","4352.6","0.7","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C192 H144 N48 O32 -","16","2","","Cheng Xu; Feng-Cheng Jia; Qun Cai; Deng-Kui Li; Zhi-Wen Zhou; An-Xin Wu","Intramolecular decarboxylative coupling as the key step in copper-catalyzed domino reaction: facile access to 2-(1,3,4-oxadiazol-2-yl)aniline derivatives","Chem.Commun.","2015","51","","6629","","10.1039/C5cc01116G","","","0.71073","MoKα","","0.0729","0.0485","","","0.1369","0.1583","","","","","","1.087","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116915","8.8904","0.0006","13.0832","0.0009","19.2524","0.0011","90","","90","","90","","2239.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br N O -","- C12 H14 Br N O -","- C96 H112 Br8 N8 O8 -","8","1","","Rahul Kisan Kawade; Deepak B. Huple; Rong-Jing Lin; Rai-Shung Liu","Cu-catalyzed oxidative Povarov reactions between N-alkyl N-methylanilines and saturated oxa- and thiacycles","Chem.Commun.","2015","51","","6625","","10.1039/C5cc01287B","","","0.71073","MoKα","","0.0385","0.0257","","","0.0518","0.0581","","","","","","1.068","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116928","10.9173","0.0002","8.53033","0.0001","34.7268","0.0007","90","","90","","90","","3234.04","0.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 F3 N2 -","- C19 H19 F3 N2 -","- C152 H152 F24 N16 -","8","1","","Kazuki Isa; Maki Minakawa; Motoi Kawatsura","Palladium-catalyzed amination of 2,3,3-trifluoroallyl esters: synthesis of trifluoromethylenamines via an intramolecular fluorine shift and CF3 group construction","Chem.Commun.","2015","51","","6761","","10.1039/C5cc01212K","","","1.54187","CuKα","","","0.0412","","","","0.1092","","","","","","1.044","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116946","15.005","0.003","12.061","0.002","18.219","0.004","90","","90","","90","","3297.2","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O -","- C10 H9 N O -","- C160 H144 N16 O16 -","16","2","","Yanli Xu; Weigao Hu; Xiaodong Tang; Jinwu Zhao; Wanqing Wu; Huanfeng Jiang","Palladium-catalyzed Csp2-H carbonylation of aromatic oximes: selective access to benzo[d][1,2]oxazin-1-ones and 3-methyleneisoindolin-1-ones","Chem.Commun.","2015","51","","6843","","10.1039/C5cc01661D","","","0.71073","MoKα","","0.1023","0.0572","","","0.1529","0.189","","","","","","0.954","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116995","24.322","0.005","8.2628","0.0008","15.382","0.003","90","","90","","90","","3091.3","0.9","294.17","0.1","294.17","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H20 B10 -","- C10 H20 B10 -","- C80 H160 B80 -","8","1","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.2706","0.1195","","","0.3209","0.4433","","","","","","1.044","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7117046","11.861","0.002","22.463","0.004","25.58","0.005","90","","90","","90","","6815","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 B Fe N6 O3 -","- C39 H35 B Fe N6 O3 -","- C312 H280 B8 Fe8 N48 O24 -","8","1","","Debobrata Sheet; Shrabanti Bhattacharya; Tapan Kanti Paine","Dioxygen activation and two consecutive oxidative decarboxylations of phenylpyruvate by nonheme iron(II) complexes: functional models of hydroxymandelate synthase (HMS) and CloR","Chem.Commun.","2015","51","","7681","","10.1039/C5cc01652E","","","0.71073","MoKα","","0.1056","0.0458","","","0.1205","0.1902","","","","","","1.187","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117101","19.318","0.0005","7.18486","0.00015","19.6634","0.0005","90","","90","","90","","2729.22","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br N -","- C15 H14 Br N -","- C120 H112 Br8 N8 -","8","1","","Johannes F. Franz; Wolfgang B. Kraus; Kirsten Zeitler","No photocatalyst required ‒ versatile, visible light mediated transformations with polyhalomethanes","Chem.Commun.","2015","51","","8280","","10.1039/C4cc10270C","","x-ray","1.54184","CuKα","","0.0477","0.044","","","0.1266","0.1307","","","","","","1.104","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117117","18.379","0.0019","10.6606","0.0011","31.736","0.003","90","","90","","90","","6218.1","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H24 N4 O4 S Zn -","- C36 H24 N4 O4 S Zn -","- C288 H192 N32 O32 S8 Zn8 -","8","1","","Zhi-Qiang Shi; Zi-Jian Guo; He-Gen Zheng","Two luminescent Zn(II) metal-organic frameworks for exceptionally selective detection of picric acid explosives","Chem.Commun.","2015","51","","8300","","10.1039/C5cc00987A","","","0.71073","MoKα","","0.0647","0.0512","","","0.1629","0.1735","","","","","","1.085","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117135","14.9738","0.0003","15.8809","0.0004","24.6498","0.0008","90","","90","","90","","5861.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Cl2 F2 N P Pt -","- C29 H36 Cl2 F2 N P Pt -","- C232 H288 Cl16 F16 N8 P8 Pt8 -","8","1","","Paul A. Shaw; Jessica M. Phillips; Christopher P. Newman; Guy J. Clarkson; Jonathan P. Rourke","Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate","Chem.Commun.","2015","51","","8365","","10.1039/C5cc02355F","","","0.71073","MoKα","","0.0467","0.0309","","","0.0562","0.0611","","","","","","1.087","","","","has coordinates,has disorder","180285","2020-10-21","18:00:00",""
"7117138","17.0287","0.0017","18.1277","0.0017","29.437","0.003","90","","90","","90","","9086.9","1.6","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C82 H20 Cl4 -","- C82 H20 Cl4 -","- C656 H160 Cl32 -","8","1","","Ran Tao; Tomokazu Umeyama; Tomohiro Higashino; Tomoyuki Koganezawa; Hiroshi Imahori","A single cis-2 regioisomer of ethylene-tethered indene dimer-fullerene adduct as an electron-acceptor in polymer solar cells","Chem.Commun.","2015","51","","8233","","10.1039/C5cc01712B","","","0.7107","MoKα","","0.0554","0.0495","","","0.131","0.1372","","","","","","1.048","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117188","9.4165","0.0004","19.7949","0.0007","45.588","0.0019","90","","90","","90","","8497.5","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclophanetriene","CPDTV","","- C46 H43 Cl3 S6 -","- C46 H43 Cl3 S6 -","- C368 H344 Cl24 S48 -","8","1","","Shu-Wei Chang; Masaki Horie","A donor-acceptor conjugated block copolymer of poly(arylenevinylene)s by ring-opening metathesis polymerization","Chem.Commun.","2015","51","","9113","","10.1039/C5cc00498E","","","0.71073","MoKα","","0.1246","0.059","","","0.1473","0.2002","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117302","15.2594","0.0007","10.4298","0.0005","19.4355","0.0009","90","","90","","90","","3093.2","0.3","293.51","0.1","293.51","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C160 H144 O16 -","8","1","","Kegong Ji; Xiang Liu; Bowen Du; Fang Yang; Jinming Gao","Gold-catalyzed selective oxidation of 4-oxahepta-1,6-diynes to 2H-pyran-3(6H)-ones and chromen-3(4H)-ones via beta-gold vinyl cation intermediates","Chem.Commun.","2015","51","","10318","","10.1039/C5cc02952J","","x-ray","0.71073","MoKα","","0.082","0.0536","","","0.1186","0.1393","","","","","","1.069","","","","has coordinates","139257","2020-10-21","18:00:00",""
"7117356","11.63","0.0009","19.1931","0.0014","21.194","0.0013","90","","90","","90","","4730.8","0.6","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 F6 N4 P Sb -","- C19 H20 Cl1.998 F6 N4 P0.999 Sb -","- C152 H160 Cl15.984 F48 N32 P7.992 Sb8 -","8","1","","Chitra Gurnani; Nemanja Dordevic; Senthilkumar Muthaiah; Dusan Dimic; Rakesh Ganguly; Milena Petkovic; Dragoslav Vidovic","Extending the chemistry of carbones: P-N bond cleavage via an SN2'-like mechanism","Chem.Commun.","2015","51","","10762","","10.1039/C5cc03194J","","","0.71073","MoKα","","0.1188","0.0604","","","0.1577","0.2044","","","","","","1.068","","","","has coordinates,has disorder","139682","2020-10-21","18:00:00",""
"7117370","9.213","0.005","9.618","0.005","47.215","0.005","90","","90","","90","","4184","3","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 B F4 Fe N3 -","- C22 H24 B F4 Fe N3 -","- C176 H192 B8 F32 Fe8 N24 -","8","1","","Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar","Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis","Chem.Commun.","2015","51","","10949","","10.1039/C5cc01578B","","","0.71069","MoKα","","0.1331","0.0696","","","0.1623","0.2027","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117385","17.0157","0.0004","15.2244","0.0004","27.1217","0.0007","90","","90","","90","","7026","0.3","296","2","296","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C34 H32 Au Cl F3 N O3 P2 S -","- C34 H32 Au Cl F3 N O3 P2 S -","- C272 H256 Au8 Cl8 F24 N8 O24 P16 S8 -","8","1","","Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu","Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction","Chem.Commun.","2015","51","","10871","","10.1039/C5cc03697F","","","0.71073","MoKα","","0.056","0.0321","","","0.0694","0.0797","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117424","10.641","0.001","14.807","0.001","23.076","0.001","90","","90","","90","","3635.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4-trimethoxybenzo[5,6][1,4]thiazino[2,3,4-kl]phenothiazine","","- C21 H17 N O3 S2 -","- C21 H17 N O3 S2 -","- C168 H136 N8 O24 S16 -","8","1","","S. Menichetti; S. Cecchi; P. Procacci; M. Innocenti; L. Becucci; L. Franco; C. Viglianisi","Thia-bridged triarylamine heterohelicene radical cations as redox-driven molecular switches","Chem.Commun.","2015","51","","11452","","10.1039/C5cc04007H","","","1.5418","CuKα","","0.0803","0.044","","","0.0947","0.1131","","","","","","1.049","","","","has coordinates","140006","2020-10-21","18:00:00",""
"7117429","14.6206","0.0012","15.5222","0.0012","18.7038","0.0014","90","","90","","90","","4244.7","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Bi Cl2 N2 Sb -","- C48 H50 Bi Cl2 N2 Sb -","- C192 H200 Bi4 Cl8 N8 Sb4 -","4","0.5","","Alexander Hinz; Axel Schulz; Alexander Villinger","Accessing heavy allyl-analogous [(TerN)2E]- (E = Sb, Bi) ions and their reactivity towards ECl3","Chem.Commun.","2015","51","","11437","","10.1039/C5cc04355G","","","0.71073","MoKα","","0.0728","0.0342","","","0.0596","0.0692","","","","","","1.011","","","","has coordinates","140008","2020-10-21","18:00:00",""
"7117594","18.0973","0.0002","28.4369","0.0004","28.5016","0.0003","90","","90","","90","","14667.8","0.3","301","2","301","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","compound 1","","- C50 H62 Cl4 Cu2 N8 O21 S5 -","- C50 H62 Cl4 Cu2 N8 O21 S5 -","- C400 H496 Cl32 Cu16 N64 O168 S40 -","8","1","","Rancan, Marzio; Armelao, Lidia","Exploiting dimensional variability in coordination polymers: solvent promotes reversible conversion between 3D and chiral 1D architectures.","Chemical communications (Cambridge, England)","2015","51","65","12947","12949","10.1039/c5cc04349b","","","0.71073","MoKα","","0.1406","0.1141","","","0.3251","0.3447","","","","","","1.029","","","","has coordinates,has disorder","152980","2020-10-21","18:00:00",""
"7117603","13.9096","0.0003","10.5234","0.0002","22.6923","0.0005","90","","90","","90","","3321.61","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cd N3 O2 S -","- C14 H19 Cd N3 O2 S -","- C112 H152 Cd8 N24 O16 S8 -","8","1","","Roy, Sumit; Dey, Arka; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Chattopadhyay, Shouvik","Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a substantial on-off ratio.","Chemical communications (Cambridge, England)","2015","51","65","12974","12976","10.1039/c5cc04323a","","","0.71073","MoKα","","0.0318","0.0269","","","0.0626","0.0645","","","","","","1.246","","","","has coordinates","152986","2020-10-21","18:00:00",""
"7117685","15.3406","0.0003","16.1078","0.0003","22.8598","0.0005","90","","90","","90","","5648.7","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ABB_AL_81","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C288 H272 N16 O16 -","8","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.0552","0.046","","","0.1054","0.1108","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117726","12.5654","0.0009","18.5476","0.0013","18.7414","0.0013","90","","90","","90","","4367.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C192 H184 N8 O40 S8 -","8","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.0642","0.0489","","","0.121","0.1315","","","","","","1.063","","","","has coordinates","153832","2020-10-21","18:00:00",""
"7117730","10.918","0.0012","16.0878","0.0017","39.16","0.004","90","","90","","90","","6878.3","1.3","100","2","100","2","","","","","","","Synthesized chemically by authors","7","P b c a","-P 2ac 2ab","61","","[(Bis(2-phenyl-pyridine))(1-Pyrazin-2-yl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)]iridium(III) hexafluorophosphate dichloromethane","","- C34 H33 Cl2 F6 Ir N7 P -","- C34 H33 Cl2 F6 Ir N7 P -","- C272 H264 Cl16 F48 Ir8 N56 P8 -","8","1","","Kamrul Hasan; Amlan K. Pal; Thomas Auvray; Eli Zysman-Colman; Garry S. Hanan","Blue-green emissive cationic iridium(III) complexes using partially saturated strongly-donating guanidyl-pyridine/-pyrazine ancillary ligands","Chem.Commun.","2015","51","","14060","","10.1039/C5cc04069H","","","1.34139","GaKα","","0.0843","0.0787","","","0.1849","0.1875","","","","","","1.241","","","","has coordinates","153891","2020-10-21","18:00:00",""
"7117740","12.5691","0.0017","22.529","0.003","27.755","0.004","90","","90","","90","","7859.4","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H21 B11 Cl10 F4 O3 S -","- C21 H16 B11 Cl10 F3 O3 S -","- C168 H128 B88 Cl80 F24 O24 S8 -","8","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0551","0.038","","","0.099","0.1136","","","","","","1.067","","","","has coordinates","153893","2020-10-21","18:00:00",""
"7117744","17.7687","0.0008","15.7898","0.0008","18.9559","0.0008","90","","90","","90","","5318.3","0.4","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C3 H B11 Cl9 Cs F6 O6 S2 -","- C3 H B11 Cl9 Cs F6 O6 S2 -","- C24 H8 B88 Cl72 Cs8 F48 O48 S16 -","8","1","","Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov","Triflyloxy-substituted carboranes as useful weakly coordinating anions","Chem.Commun.","2015","51","","14034","","10.1039/C5cc05047B","","","0.71073","MoKα","","0.0615","0.0326","","0.087","0.0699","0.087","","","","","","0.9916","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7117769","9.5442","0.0015","15.093","0.003","45.323","0.006","90","","90","","90","","6528.8","1.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Br2 N2 O4 S2 -","- C34 H30 Br2 N2 O4 S2 -","- C272 H240 Br16 N16 O32 S16 -","8","1","","Pi, Rui; Zhou, Ming-Bo; Yang, Yuan; Gao, Cai; Song, Ren-Jie; Li, Jin-Heng","Rhodium(iii)-catalyzed oxidative bicyclization of 4-arylbut-3-yn-1-amines with internal alkynes through C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","70","13550","13553","10.1039/c5cc05093f","","","0.71073","MoKα","","0.1465","0.0717","","","0.1563","0.1782","","","","","","1.06","","","","has coordinates","154899","2020-10-21","18:00:00",""
"7117778","11.1528","0.0002","12.1629","0.0002","32.522","0.002","90","","90","","90","","4411.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H21 N O -","- C30 H21 N O -","- C240 H168 N8 O8 -","8","1","","Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao","Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties","Chem.Commun.","2015","51","","14365","","10.1039/C5cc05239D","","","1.54187","CuKα","","0.0461","0.0417","","","0.1077","0.1112","","","","","","1.093","","","","has coordinates","156297","2020-10-21","18:00:00",""
"7117788","17.2516","0.0009","17.706","0.0009","27.4233","0.0014","90","","90","","90","","8376.6","0.7","149","","149.7","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H32 B3 F20 N2 -","- C44 H32 B3 F20 N2 -","- C352 H256 B24 F160 N16 -","8","1","","Jeffrey M. Farrell; Douglas W. Stephan","Synthesis of a diboryl-N-heterocycle and its conversion to a bidentate cationic Lewis acid","Chem.Commun.","2015","51","","14322","","10.1039/C5cc06248A","","","0.71073","MoKα","","0.0813","0.075","","","0.187","0.1942","","","","","","1.0735","","","","has coordinates","156301","2020-10-21","18:00:00",""
"7117789","12.1706","0.0019","19.581","0.003","27.574","0.004","90","","90","","90","","6571.2","1.7","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H30 B2 F8 N2 O2 -","- C40 H28 B2 F8 N2 O2 -","- C320 H224 B16 F64 N16 O16 -","8","1","","Yuto Sakano; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki","Two-way chromic interconversion of the 2,2'-biphenol-6,6'-diyl dication with 5H,10H-dioxapyrene or 9H,10H-4,5-dihydroxyphenanthrene","Chem.Commun.","2015","51","","14303","","10.1039/C5cc06338H","","","0.71075","MoKα","","","0.0533","","","","0.1515","","","","","","1.055","","","","has coordinates","156302","2020-10-21","18:00:00",""
"7117820","14.3785","0.0014","10.3694","0.001","19.867","0.0019","90","","90","","90","","2962.1","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","VQLC","","- C17 H20 O5 -","- C17 H20 O5 -","- C136 H160 O40 -","8","1","","Dong Chen; Hao-Miao Liu; Ming-Ming Li; Yong-Min Yan; Wen-Dan Xu; Xiao-Nian Li; Yong-Xian Cheng; Hong-Bo Qin","Concise synthesis of (+/-)-Lingzhiol via epoxy-arene cyclization","Chem.Commun.","2015","51","","14594","","10.1039/C5cc05680B","","","0.71073","MoKα","","0.0438","0.0365","","","0.0977","0.1039","","","","","","1.027","","","","has coordinates","158226","2020-10-21","18:00:00",""
"7117899","5.894","","17.87","","10.095","","90","","90","","90","","1063.26","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 Al O4","","- Al Na5 O4 -","- Al Na5 O4 -","- Al8 Na40 O32 -","8","1","","Barker, M.G.; Gadd, P.G.; Begley, M.J.","Preparation and crystal structures of the first alkali-rich sodium aluminates Na7 Al3 O8 and Na5 Al O4","Journal of the Chemical Society. Chemical Communications (1972-)","1981","1981","","379","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118082","19.736","0.005","24.456","0.005","31.304","0.005","90","0.005","90","0.005","90","0.005","15109","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68.25 H76.5 Cl0.5 Fe I N4 -","- C68 H76 Fe I N4 -","- C544 H608 Fe8 I8 N32 -","8","1","","Dipankar Sahoo; Sankar Prasad Rath","Controlled generation of highly saddled (porphyrinato)iron(III) iodide, tri-iodide and one-electron oxidized complexes","Chem.Commun.","2015","51","","16790","","10.1039/C5cc07111A","","","0.71073","MoKα","","0.1214","0.0888","","","0.2383","0.2583","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118087","8.363","0.0006","16.4293","0.0008","25.672","0.0015","90","","90","","90","","3527.3","0.4","294.76","0.1","294.76","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N -","- C22 H25 N -","- C176 H200 N8 -","8","1","","Xin-Xing Wu; Yi Shen; Wen-Long Chen; Si Chen; Peng-Fei Xu; Yong-Min Liang","Palladium-catalyzed dearomative cyclization by a norbornene-mediated sequence: a route to spiroindolenine derivatives","Chem.Commun.","2015","51","","16798","","10.1039/C5cc07411H","","x-ray","1.54184","CuKα","","0.0898","0.063","","","0.1695","0.2038","","","","","","1.018","","","","has coordinates","170684","2020-10-21","18:00:00",""
"7118090","24.9779","0.0002","15.3332","0.00016","25.33735","0.00019","90","","90","","90","","9703.98","0.15","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H63 F12 Fe N7 Ni P2 S2 -","- C33 H63 F12 Fe N7 Ni P2 S2 -","- C264 H504 F96 Fe8 N56 Ni8 P16 S16 -","8","1","","Carlo U. Perotto; George Marshall; Graham J. Jones; E. Stephen Davies; William Lewis; Jonathan McMaster; Martin Schroder","A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases","Chem.Commun.","2015","51","","16988","","10.1039/C5cc05881C","","x-ray","1.54184","CuKα","","0.0371","0.0351","","","0.0942","0.0958","","","","","","1.042","","","","has coordinates,has disorder","170686","2020-10-21","18:00:00",""
"7118287","18.6729","0.0002","11.0827","0.0001","33.857","0.0004","90","","90","","90","","7006.58","0.13","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H32 Br4 N2 -","- C40 H32 Br4 N2 -","- C320 H256 Br32 N16 -","8","1","","Greulich, Tobias W.; Suzuki, Naoya; Daniliuc, Constantin G.; Fukazawa, Aiko; Yamaguchi, Eriko; Studer, Armido; Yamaguchi, Shigehiro","A biphenyl containing two electron-donating and two electron-accepting moieties: a rigid and small donor-acceptor-donor ladder system.","Chemical communications (Cambridge, England)","2016","52","11","2374","2377","10.1039/c5cc03063c","","","0.71073","MoKα","","0.0724","0.0491","","","0.0785","0.0885","","","","","","1.143","","","","has coordinates","175882","2020-10-21","18:00:00",""
"7118397","11.4913","0.0004","18.0722","0.0007","22.1742","0.0011","90","","90","","90","","4605","0.3","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 N2 Ni O6 -","- C26 H26 N2 Ni O6 -","- C208 H208 N16 Ni8 O48 -","8","1","","Shao, Haiyan; Muduli, Subas K.; Tran, Phong D.; Soo, Han Sen","Enhancing electrocatalytic hydrogen evolution by nickel salicylaldimine complexes with alkali metal cations in aqueous media.","Chemical communications (Cambridge, England)","2016","52","14","2948","2951","10.1039/c5cc09456a","","","0.71073","MoKα","","0.0947","0.0444","","","0.1095","0.1583","","","","","","1.065","","","","has coordinates","177696","2020-10-21","18:00:00",""
"7118407","16.7246","0.0015","7.1468","0.0007","20.102","0.0019","90","","90","","90","","2402.7","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N -","- C16 H13 N -","- C128 H104 N8 -","8","1","","Kai Chen; Zi-Zhong Zhu; Jia-Xin Liu; Xiang-Ying Tang; Yin Wei; Min Shi","Substrate-controlled Rh(II)-catalyzed single-electron-transfer (SET): divergent synthesis of fused indoles","Chem.Commun.","2016","52","","350","","","","","0.71073","MoKα","","0.0743","0.0457","","","0.1231","0.1409","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118462","9.302","0.0004","15.8206","0.0005","32.7189","0.0011","90","","90","","90","","4815","0.3","200","1","200","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N3 O4 -","- C25 H31 N3 O4 -","- C200 H248 N24 O32 -","8","1","","Diedrich, D.; Hamacher, A.; Gertzen, C. G. W.; Alves Avelar, L. A.; Reiss, G. J.; Kurz, T.; Gohlke, H.; Kassack, M. U.; Hansen, F. K.","Rational design and diversity-oriented synthesis of peptoid-based selective HDAC6 inhibitors.","Chemical communications (Cambridge, England)","2016","52","15","3219","3222","10.1039/c5cc10301k","","","0.71073","MoKα","","0.1359","0.1145","","","0.1625","0.1674","","","","","","1.866","","","","has coordinates","177665","2020-10-21","18:00:00",""
"7118463","7.7764","0.0012","15.755","0.002","25.521","0.004","90","","90","","90","","3126.8","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 F3 N O3 -","- C14 H20 F2.997 N O3 -","- C112 H160 F23.976 N8 O24 -","8","1","","Yagafarov, Niyaz Z.; Kolesnikov, Pavel N.; Usanov, Dmitry L.; Novikov, Valentin V.; Nelyubina, Yulia V.; Chusov, Denis","The synthesis of sterically hindered amines by a direct reductive amination of ketones.","Chemical communications (Cambridge, England)","2016","52","7","1397","1400","10.1039/c5cc08577b","","","0.71073","MoKα","","0.1015","0.0734","","","0.1742","0.185","","","","","","1.376","","","","has coordinates,has disorder","174475","2020-10-21","18:00:00",""
"7118488","11.278","0.002","8.2043","0.0016","27.475","0.006","90","","90","","90","","2542.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","1","","Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei","Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing.","Chemical communications (Cambridge, England)","2016","52","15","3123","3126","10.1039/c5cc10423h","","","0.71073","MoKα","","0.1461","0.094","","","0.1812","0.2099","","","","","","1.179","","","","has coordinates","177654","2020-10-21","18:00:00",""
"7118585","13.273","0.004","8.87","0.003","18.749","0.006","90","","90","","90","","2207.3","1.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Jha, Abadh Kishor; Jain, Nidhi","The microwave-assisted ortho-alkylation of azine N-oxides with N-tosylhydrazones catalyzed by copper(i) iodide.","Chemical communications (Cambridge, England)","2016","52","9","1831","1834","10.1039/c5cc07833d","","","0.71073","MoKα","","0.1464","0.0951","","","0.1646","0.1831","","","","","","1.199","","","","has coordinates","174804","2020-10-21","18:00:00",""
"7118610","17.1558","0.0006","11.8814","0.0004","24.8691","0.0008","90","","90","","90","","5069.2","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 B N2 O4 -","- C32 H27 B N2 O4 -","- C256 H216 B8 N16 O32 -","8","1","","Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya","Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.","Chemical communications (Cambridge, England)","2016","52","21","4014","4017","10.1039/c6cc00250a","","","0.71073","MoKα","","0.0845","0.0518","","","0.1454","0.17","","","","","","1.046","","","","has coordinates","181557","2020-10-21","18:00:00",""
"7118684","17.0258","0.0007","18.6108","0.0008","19.0877","0.0008","90","","90","","90","","6048.2","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H44 P2 Pd Si -","- C31 H44 P2 Pd Si -","- C248 H352 P16 Pd8 Si8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0249","0.0235","","","0.0574","0.058","","","","","","1.194","","","","has coordinates","185097","2020-10-21","18:00:00",""
"7118748","13.176","0.003","7.6455","0.0017","15.656","0.004","90","","90","","90","","1577.1","0.6","302","2","302","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br O2 -","- C7 H11 Br O2 -","- C56 H88 Br8 O16 -","8","1","","Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit","Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes.","Chemical communications (Cambridge, England)","2016","52","22","4179","4182","10.1039/c5cc10245f","","x-ray","0.71073","MoKα","","0.0549","0.0446","","","0.1086","0.1145","","","","","","1.049","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7118775","37.4027","0.0012","7.01569","0.00012","6.36593","0.0001","90","","90","","90","","1670.46","0.07","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(AuSPhCO2Me)n","","- C8 H7 Au O2 S -","- C8 H4 Au O2 S -","- C64 H32 Au8 O16 S8 -","8","1","","Lavenn, Christophe; Guillou, Nathalie; Monge, Miguel; Podbevšek, Darjan; Ledoux, Gilles; Fateeva, Alexandra; Demessence, Aude","Shedding light on an ultra-bright photoluminescent lamellar gold thiolate coordination polymer [Au(p-SPhCO2Me)]n.","Chemical communications (Cambridge, England)","2016","52","58","9063","9066","10.1039/c5cc10448c","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.038","6.41","","","","","","","has coordinates","185098","2020-10-21","18:00:00",""
"7118781","15.0418","0.0007","21.3952","0.0011","28.2235","0.0014","90","","90","","90","","9083","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H47 B N4 O4 Zn -","- C41 H47 B N4 O4 Zn -","- C328 H376 B8 N32 O32 Zn8 -","8","1","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.145","0.0737","","","0.1949","0.2156","","","","","","0.984","","","","has coordinates,has disorder","181531","2020-10-21","18:00:00",""
"7118846","8.463","0.002","14.865","0.0019","32.625","0.011","90","","90","","90","","4104.3","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 B2 F2 P -","- C21 H31 B2 F2 P -","- C168 H248 B16 F16 P8 -","8","1","","Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo","New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.","Chemical communications (Cambridge, England)","2016","52","27","4898","4901","10.1039/c6cc01493c","","","0.71073","MoKα","","0.0594","0.0435","","","0.0991","0.1059","","","","","","1.065","","","","has coordinates,has disorder","181556","2020-10-21","18:00:00",""
"7118890","9.5809","0.0004","13.6588","0.0006","22.8484","0.0009","90","","90","","90","","2990","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Nandi, Raj Kumar; Ratsch, Friederike; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Intermolecular dearomative C2-arylation of N-Ac indoles activated by FeCl3.","Chemical communications (Cambridge, England)","2016","52","30","5328","5331","10.1039/c6cc01654e","","x-ray","0.71073","MoKα","","0.0537","0.0446","","","0.1269","0.1351","","","","","","1.068","","","","has coordinates","182597","2020-10-21","18:00:00",""
"7118919","13.5204","0.0007","12.9163","0.0007","17.273","0.0008","90","","90","","90","","3016.4","0.3","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H16 B F2 N O -","- C18 H16 B F2 N O -","- C144 H128 B8 F16 N8 O8 -","8","1","","Tomakinian, Terry; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of benzofuro[3,2-b]indoline amines via deamination-interrupted Fischer indolization and their unexpected reactivity towards nucleophiles.","Chemical communications (Cambridge, England)","2016","52","31","5443","5446","10.1039/c6cc00365f","","x-ray","0.71073","MoKα","","0.0842","0.0702","","","0.1805","0.1892","","","","","","1.027","","","","has coordinates","182603","2020-10-21","18:00:00",""
"7118985","18.683","0.001","13.262","0.0007","31.5134","0.0017","90","","90","","90","","7808.2","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H56 B10 N3 P Si2 -","- C27 H56 B10 N3 P Si2 -","- C216 H448 B80 N24 P8 Si16 -","8","1","","Tek Long Chan; Zuowei Xie","The synthesis, structure and reactivity of an imine-stabilized carboranylphosphorus(I) compound","Chem.Commun.","2016","52","","7280","","","","","0.71073","MoKα","","0.1083","0.0601","","","0.145","0.1773","","","","","","1.01","","","","has coordinates","183175","2020-10-21","18:00:00",""
"7118988","13.4335","0.0002","9.7044","0.0002","42.1106","0.0007","90","","90","","90","","5489.71","0.17","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-(4-benzoylphenyl)dichlorotriphenylphosphine gold(III)","","- C31 H24 Au Cl2 O P -","- C31 H24 Au Cl2 O P -","- C248 H192 Au8 Cl16 O8 P8 -","8","1","","Eric Omar Asomoza-Solis; Jonathan Rojas-Ocampo; Ruben Alfredo Toscano; Susana Porcel","Arenediazonium salts as electrophiles for the oxidative addition of gold(I)","Chem.Commun.","2016","52","","7295","","","","","0.71073","MoKα","","0.0956","0.0451","","","0.074","0.0931","","","","","","1.019","","","","has coordinates","183177","2020-10-21","18:00:00",""
"7119061","20.8179","0.0009","19.5864","0.001","24.4923","0.0013","90","","90","","90","","9986.7","0.9","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H38 Dy F9 N14 O9 S3 -","- C41 H38 Dy F9 N14 O9 S3 -","- C328 H304 Dy8 F72 N112 O72 S24 -","8","1","","Zhong-Xia Jiang; Jun-Liang Liu; Yan-Cong Chen; Jiang Liu; Jian-Hua Jia; Ming-Liang Tong","Lanthanoid single-ion magnets with the LnN10 coordination geometry","Chem.Commun.","2016","52","","6261","","","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","191065","2020-10-21","18:00:00",""
"7119062","20.69","0.0004","19.5456","0.0005","24.427","0.0005","90","","90","","90","","9878.2","0.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H38 Er F9 N14 O9 S3 -","- C41 H38 Er F9 N14 O9 S3 -","- C328 H304 Er8 F72 N112 O72 S24 -","8","1","","Zhong-Xia Jiang; Jun-Liang Liu; Yan-Cong Chen; Jiang Liu; Jian-Hua Jia; Ming-Liang Tong","Lanthanoid single-ion magnets with the LnN10 coordination geometry","Chem.Commun.","2016","52","","6261","","","","","0.71073","MoKα","","0.0586","0.0475","","","0.1133","0.12","","","","","","1.038","","","","has coordinates","184029","2020-10-21","18:00:00",""
"7119093","11.9249","0.0005","23.7834","0.0011","25.2349","0.0011","90","","90","","90","","7157","0.5","120","0.11","120","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H55 B9 N4 Rh2 -","- C31 H55 B9 N4 Rh2 -","- C248 H440 B72 N32 Rh16 -","8","1","","Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans","Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium","Chem.Commun.","2016","52","","6443","","","","","0.71073","MoKα","","0.0741","0.0505","","","0.0905","0.0997","","","","","","1.041","","","","has coordinates","184125","2020-10-21","18:00:00",""
"7119105","12.2175","0.0004","11.5867","0.0004","45.0661","0.0013","90","","90","","90","","6379.6","0.4","293","2","296.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl I2 N O2 Pt S -","- C11 H10 Cl I2 N O2 Pt S -","- C176 H160 Cl16 I32 N16 O32 Pt16 S16 -","16","2","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0581","0.047","","","0.0934","0.0998","","","","","","1.061","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7119120","16.207","0.003","14","0.003","21.465","0.004","90","","90","","90","","4870.4","1.7","210","2","205","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H66 N2 O8 Re2 Sm2 -","- C44 H66 N2 O8 Re2 Sm2 -","- C176 H264 N8 O32 Re8 Sm8 -","4","0.5","","Christoph Schoo; Svetlana V. Klementyeva; Michael T. Gamer; Sergey N. Konchenko; Peter W. Roesky","Samarocene oxide: from an undesired decomposition product to a new reagent","Chem.Commun.","2016","52","","6654","","","","","0.71073","MoKα","","0.0436","0.0265","","","0.0481","0.0509","","","","","","0.927","","","","has coordinates","185752","2020-10-21","18:00:00",""
"7119165","9.0171","0.0005","11.0071","0.0006","23.9483","0.0013","90","","90","","90","","2376.9","0.2","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cyheptamiede Form-III","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","1","","Vijay K. Srirambhatla; Rui Guo; Sarah L. Price; Alastair J. Florence","Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs","Chem.Commun.","2016","52","","7384","","","","","1.54178","CuKα","","0.0518","0.0441","","0.0556","0.0465","0.0445","","","","","","0.8911","","","","has coordinates","186021","2020-10-21","18:00:00",""
"7119185","16.641","0.0012","11.1239","0.0008","20.557","0.0013","90","","90","","90","","3805.4","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C176 H208 O40 -","8","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0476","0.0365","","","0.0902","0.0964","","","","","","1.029","","","","has coordinates","190226","2020-10-21","18:00:00",""
"7119206","12.474","0.006","11.835","0.005","26.509","0.012","90","","90","","90","","3914","3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N3 O3 S -","- C20 H27 N3 O3 S -","- C160 H216 N24 O24 S8 -","8","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.095","0.0517","","","0.1146","0.1379","","","","","","1.018","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119207","11.1911","0.0009","11.3303","0.0009","25.143","0.002","90","","90","","90","","3188.1","0.4","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N3 O3 S -","- C14 H19 N3 O3 S -","- C112 H152 N24 O24 S8 -","8","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0958","0.0439","","","0.1008","0.1226","","","","","","1.026","","","","has coordinates,has disorder","191481","2020-10-21","18:00:00",""
"7119224","17.2945","0.0014","17.5482","0.0008","22.8262","0.0009","90","","90","","90","","6927.5","0.7","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Co2 Ge N2 O6 P2 -","- C30 H44 Co2 Ge N2 O6 P2 -","- C240 H352 Co16 Ge8 N16 O48 P16 -","8","1","","Álvarez-Rodríguez, Lucía; Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and initial transition metal chemistry of the first PGeP pincer-type germylene.","Chemical communications (Cambridge, England)","2017","53","5","893","896","10.1039/c6cc09283g","","","1.5418","CuKα","","0.1414","0.0934","","","0.2533","0.3534","","","","","","1.058","","","","has coordinates","191482","2020-10-21","18:00:00",""
"7119373","10.4816","0.0005","12.7531","0.0005","22.3603","0.001","90","","90","","90","","2989","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfapyridine DMSO solvate","","","- C13 H17 N3 O3 S2 -","- C13 H17 N3 O3 S2 -","- C104 H136 N24 O24 S16 -","8","1","","Celia; Ruiz-Palomero; Stuart; R.; Kennedy; M.; Laura; Soriano; Christopher; D.; Jones; Miguel; Valcarcel; Jonathan; W.; Steed","Pharmaceutical crystallization with nanocellulose organogels","Chem.Commun.","2016","52","","7782","","","","","0.71073","MoKα","","0.0565","0.0374","","","0.0877","0.0968","","","","","","1.018","","","","has coordinates","190050","2020-10-21","18:00:00",""
"7119663","18.7897","0.0006","19.9849","0.0006","21.0601","0.0006","90","","90","","90","","7908.3","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(SiHP2)Cu(Cbz)","","","- C43 H54 Cu N P2 Si -","- C43 H54 Cu N P2 Si -","- C344 H432 Cu8 N8 P16 Si8 -","8","1","","Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho","σ-Complexation as a strategy for designing copper-based light emitters.","Chemical communications (Cambridge, England)","2017","53","19","2858","2861","10.1039/c6cc10139a","","","0.71073","MoKα","","0.0957","0.0462","","","0.108","0.1353","","","","","","1.015","","","","has coordinates","193676","2020-10-21","18:00:00",""
"7119673","8.934","0.004","9.067","0.005","14.698","0.007","90","","90","","90","","1190.6","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H Cu N7 -","- C3 H Cu N7 -","- C24 H8 Cu8 N56 -","8","1","","Zhang, Yinli; Zhang, Sheng; Sun, Lin; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","A solvent-free dense energetic metal-organic framework (EMOF): to improve stability and energetic performance via in situ microcalorimetry.","Chemical communications (Cambridge, England)","2017","53","21","3034","3037","10.1039/c7cc00545h","","","0.71073","MoKα","","0.0823","0.0446","","","0.1101","0.136","","","","","","0.803","","","","has coordinates","194987","2020-10-21","18:00:00",""
"7119722","8.3209","0.0007","16.6734","0.0014","42.266","0.004","90","","90","","90","","5863.9","0.9","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 B Br2 N -","- C32 H34 B Br2 N -","- C256 H272 B8 Br16 N8 -","8","1","","Li, Sheng-Yong; Hui, Ya-Jun; Sun, Zuo-Bang; Zhao, Cui-Hua","A triarylborane-based biphenyl exhibiting abrupt fluorescence enhancement at a specific high temperature.","Chemical communications (Cambridge, England)","2017","53","24","3446","3449","10.1039/c6cc10088k","","","0.71","MoKα","","0.0893","0.0505","","","0.1072","0.1236","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119754","11.8785","0.0007","16.1043","0.0011","27.3233","0.0016","90","","90","","90","","5226.8","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O4 -","- C29 H27 Br N2 O4 -","- C232 H216 Br8 N16 O32 -","8","1","","Xu, Jianfeng; Yuan, Shiru; Peng, Jingyi; Miao, Maozhong; Chen, Zhengkai; Ren, Hongjun","Enantioselective [2+2] annulation of simple aldehydes with isatin-derived ketimines via oxidative N-heterocyclic carbene catalysis.","Chemical communications (Cambridge, England)","2017","53","24","3430","3433","10.1039/c7cc01232b","","","0.71073","","","0.0841","0.0523","","","0.1084","0.1187","","","","","","1.082","","","","has coordinates","194933","2020-10-21","18:00:00",""
"7119770","18.2714","0.0004","9.6175","0.0002","22.3182","0.0005","90","","90","","90","","3921.87","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H38 N2 P2 Pt -","- C50 H38 N2 P2 Pt -","- C200 H152 N8 P8 Pt4 -","4","0.5","","Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.","Chemical communications (Cambridge, England)","2017","53","25","3587","3590","10.1039/c7cc01455d","","","0.71073","MoKα","","0.0444","0.0218","","","0.0652","0.0827","","","","","","1.025","","","","has coordinates","194974","2020-10-21","18:00:00",""
"7119775","19.5091","0.0012","19.9327","0.0012","26.1996","0.0016","90","","90","","90","","10188.2","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cu2 N4 O0 -","- C58 H58 Cu2 N4 -","- C464 H464 Cu16 N32 -","8","1","","Jin, Liqun; Hao, Wangfang; Xu, Jianeng; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Mo, Weimin; Hu, Xinquan","N-Heterocyclic carbene copper-catalyzed direct alkylation of terminal alkynes with non-activated alkyl triflates.","Chemical communications (Cambridge, England)","2017","53","29","4124","4127","10.1039/c7cc00891k","","","0.71073","MoKα","","0.2486","0.1987","","","0.3723","0.4024","","","","","","1.358","","","","has coordinates","196257","2020-10-21","18:00:00",""
"7119801","13.0843","0.0002","12.4311","0.0002","17.6208","0.0002","90","","90","","90","","2866.06","0.07","129.95","0.11","129.95","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,6-dimethoxy-N-phenylbenzothioamide","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","1","","Noor, Asif; Li, Jiawei; Khairallah, George N.; Li, Zhen; Ghari, Hossein; Canty, Allan J.; Ariafard, Alireza; Donnelly, Paul S.; O'Hair, Richard A J","A one-pot route to thioamides discovered by gas-phase studies: palladium-mediated CO2 extrusion followed by insertion of isothiocyanates.","Chemical communications (Cambridge, England)","2017","53","27","3854","3857","10.1039/c7cc00865a","","","1.54184","CuKα","","0.0343","0.0298","","","0.0795","0.0842","","","","","","1.047","","","","has coordinates","194948","2020-10-21","18:00:00",""
"7119822","7.17006","0.00006","11.34032","0.0001","22.9044","0.0002","90","","90","","90","","1862.37","0.03","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, low-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C72 H40 N8 O16 S16 -","8","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.035","0.0349","","","0.0954","0.0954","","","","","","1.139","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119823","7.2037","0.00019","11.4142","0.0003","23.213","0.0007","90","","90","","90","","1908.68","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, low-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C72 H40 N8 O16 S16 -","8","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0506","0.0417","","","0.1017","0.1068","","","","","","1.055","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119851","17.9975","0.0003","16.9033","0.0003","19.9108","0.0003","90","","90","","90","","6057.21","0.17","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H46 F3 Ir O P2 -","- C31 H45 F3 Ir O P2 -","- C248 H360 F24 Ir8 O8 P16 -","8","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.06","0.0332","","","0.0708","0.0803","","","","","","1.004","","","","has coordinates","194958","2020-10-21","18:00:00",""
"7119853","18.0679","0.0003","16.8659","0.0003","19.8479","0.0003","90","","90","","90","","6048.28","0.17","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H48 F Ir O P2 -","- C31 H47 F Ir O P2 -","- C248 H376 F8 Ir8 O8 P16 -","8","1","","Hauser, Simone A.; Emerson-King, Jack; Habershon, Scott; Chaplin, Adrian B.","UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complex.","Chemical communications (Cambridge, England)","2017","53","26","3634","3636","10.1039/c6cc09807j","","x-ray","0.71073","MoKα","","0.0715","0.0385","","","0.0812","0.0938","","","","","","1.001","","","","has coordinates,has disorder","194958","2020-10-21","18:00:00",""
"7119914","14.945","0.002","16.857","0.003","18.059","0.003","90","","90","","90","","4549.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 N2 O2 S -","- C27 H26 N2 O2 S -","- C216 H208 N16 O16 S8 -","8","1","","Zhang, Yan-Yan; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Dual-role of PtCl2 Catalysis in the Intramolecular Cyclization of (Hetero)Aryl-Allenes for the Facile Construction of Substituted 2,3-Dihydropyrroles and Polyheterocyclic Skeletons","Chem. Commun.","2017","","","","","10.1039/C7CC01684K","","","0.71073","MoKα","","0.1117","0.049","","","0.1021","0.1231","","","","","","0.995","","","","has coordinates","195251","2020-10-21","18:00:00",""
"7120021","10.065","0.002","29.201","0.006","32.249","0.006","90","","90","","90","","9478","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H41 F10 N4 O4 P -","- C53 H41 F10 N4 O4 P -","- C424 H328 F80 N32 O32 P8 -","8","1","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.1023","0.087","","","0.2225","0.2453","","","","","","1.034","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120022","12.431","0.0007","27.8731","0.0015","28.7605","0.0014","90","","90","","90","","9965.2","0.9","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C61 H29 Br Co F10 N4 O P -","- C61 H29 Br Co F10 N4 O P -","- C488 H232 Br8 Co8 F80 N32 O8 P8 -","8","1","","Sun, Huiling; Han, Yongzhen; Lei, Haitao; Chen, Mingxing; Cao, Rui","Cobalt corroles with phosphonic acid pendants as catalysts for oxygen and hydrogen evolution from neutral aqueous solution","Chem. Commun.","2017","","","","","10.1039/C7CC02400B","","","0.71073","MoKα","","0.0467","0.0342","","","0.083","0.0886","","","","","","1.04","","","","has coordinates","195795","2020-10-21","18:00:00",""
"7120045","8.4609","0.0009","16.0863","0.0017","32.951","0.003","90","","90","","90","","4484.8","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","BODIPY","","- C20 H27 B F2 I2 N2 -","- C20 H27 B F2 I2 N2 -","- C160 H216 B8 F16 I16 N16 -","8","1","","Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan","One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers","Chem. Commun.","2017","","","","","10.1039/C7CC02393F","","","0.71073","MoKα","","0.0624","0.0532","","","0.1507","0.166","","","","","","0.81","","","","has coordinates","195835","2020-10-21","18:00:00",""
"7120109","19.1181","0.0002","19.0706","0.0002","21.2422","0.0002","90","","90","","90","","7744.77","0.14","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H51 B2 Cl3 N2 -","- C41 H51 B2 Cl3 N2 -","- C328 H408 B16 Cl24 N16 -","8","1","","Abdalla, Joseph A. B.; Tirfoin, Rémi C.; Niu, Haoyu; Aldridge, Simon","A zwitterionic hydrocarbon-soluble borenium ion based on a β-diketiminate backbone","Chem. Commun.","2017","","","","","10.1039/C7CC03121A","","","1.5418","CuKα","","0.0502","0.0398","","0.0994","0.0939","0.0994","","","","","","1.0381","","","","has coordinates,has disorder","196700","2020-10-21","18:00:00",""
"7120181","17.4289","0.001","9.98","0.0005","28.046","0.0014","90","","90","","90","","4878.3","0.4","293.8","0.3","293.8","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C224 H240 N16 O32 -","8","1","","He, Yi; Li, Zhenghua; Tian, Guilong; Song, Liangliang; Van Meervelt, Luc; Van der Eycken, Erik V�lery","Gold-catalyzed diastereoselective domino dearomatization/ipso-cyclization/aza-Michael sequence: A facile access to diverse fused azaspiro tetracyclic scaffolds","Chem. Commun.","2017","","","","","10.1039/C7CC03152A","","x-ray","0.71073","MoKα","","0.1001","0.0732","","","0.1971","0.2238","","","","","","1.045","","","","has coordinates","196917","2020-10-21","18:00:00",""
"7120215","9.9144","0.0006","10.8859","0.0007","11.2982","0.0007","90","","90","","90","","1219.38","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 B2 Cl4 S2 -","- C4 H12 B2 Cl4 S2 -","- C16 H48 B8 Cl16 S8 -","4","0.5","","Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas","Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts","Chem. Commun.","2017","","","","","10.1039/C7CC03148C","","","0.71073","MoKα","","0.0176","0.0168","","","0.0441","0.0446","","","","","","1.089","","","","has coordinates","197115","2020-10-21","18:00:00",""
"7120225","15.764","0.002","6.7092","0.001","16.818","0.002","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H6 Au Cu N2 S -","- C4 H6 Au Cu N2 S -","- C32 H48 Au8 Cu8 N16 S8 -","8","1","","Varju, Bryton R.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Mixed Cu(i)/Au(i) coordination polymers as reversible turn-on vapoluminescent sensors for volatile thioethers.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc03428h","","","0.71073","MoKα","","0.0411","0.0226","","","0.0405","0.046","","","","","","1.051","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7120243","15.634","0.003","20.94","0.004","28.234","0.006","90","","90","","90","","9243","3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11.11 H14 N0.22 O0.44 Zr0.22 -","- C11.1111 H14 N0.222222 O0.444444 Zr0.222222 -","- C400 H504 N8 O16 Zr8 -","36","4.5","","Sun, Qiu; Xie, peipei; Yuan, Dan; Xia, Yuanzhi; Yao, Yingming","Regioselective addition of C(sp3)‒H bonds of alkyl pyridines to olefins catalysed by cationic zirconium complexes","Chem. Commun.","2017","","","","","10.1039/C7CC03263C","","","0.71073","MoKα","","0.0606","0.043","","","0.106","0.1122","","","","","","1.188","","","","has coordinates,has disorder","197668","2020-10-21","18:00:00",""
"7120250","12.085","0.003","13.471","0.004","25.017","0.007","90","","90","","90","","4072.7","1.9","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N2 O -","- C23 H25 B F2 N2 O -","- C184 H200 B8 F16 N16 O8 -","8","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.71075","MoKα","","0.0728","0.0607","","","0.1377","0.1451","","","","","","1.127","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120287","9.8219","0.0011","16.4158","0.0018","18.583","0.002","90","","90","","90","","2996.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C120 H136 N8 O40 -","8","1","","Guan, Yuqing; Gao, Min; Deng, Xu; lv, hui; Zhang, Xumu","Rhodium-catalyzed Asymmetric Hydrogenation of Tetrasubstituted β-acetoxy-α-enamido Esters and Efficient Synthesis of Droxidopa","Chem. Commun.","2017","","","","","10.1039/C7CC03902F","","","0.71073","MoKα","","0.0499","0.0366","","","0.0914","0.1014","","","","","","1.057","","","","has coordinates","197896","2020-10-21","18:00:00",""
"7120341","6.8131","0.0003","13.5955","0.0006","37.7352","0.0018","90","","90","","90","","3495.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H9 Fe2 N O6 S2 -","- C16 H9 Fe2 N O6 S2 -","- C128 H72 Fe16 N8 O48 S16 -","8","1","","Ahmed, Md. Estak; Dey, Subal; Mondal, Biswajit; Dey, Abhishek","H2 Evolution Catalyzed by FeFe-Hydrogenase Synthetic Model Covalently Attached to Graphite Surface","Chem. Commun.","2017","","","","","10.1039/C7CC04281G","","","0.71073","MoKα","","0.0586","0.037","","","0.0668","0.073","","","","","","1.032","","","","has coordinates","198145","2020-10-21","18:00:00",""
"7120409","11.953","0.0011","16.5209","0.0014","31.646","0.003","90","","90","","90","","6249.3","1","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H30 Cl N O4 S -","- C38 H30 Cl N O4 S -","- C304 H240 Cl8 N8 O32 S8 -","8","1","","Mao, Xiao Feng; Zhu, Xiao-Ping; Li, Deng Yuan; Jiang, Liang-Liang; Liu, Pei Nian","Cascade reaction of alkynols and 1-(2-aminophenyl)prop-2-ynols to form a fused 5,5,6-tricyclic system: formation of four bonds in a single reaction","Chem. Commun.","2017","","","","","10.1039/C7CC04126H","","","0.71073","MoKα","","0.127","0.0692","","","0.146","0.1787","","","","","","1.054","","","","has coordinates","198609","2020-10-21","18:00:00",""
"7120416","15.164","0.01","15.217","0.01","15.529","0.01","90","","90","","90","","3583","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-ethyl-3-methylimdazolium acetate 4,5-di(amidoximyl)imidazole","","- C13 H22 N8 O4 -","- C13 H22 N8 O4 -","- C104 H176 N64 O32 -","8","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.1583","0.076","","","0.1812","0.2362","","","","","","0.93","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120418","13.409","0.002","7.1954","0.0012","36.229","0.006","90","","90","","90","","3495.5","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-ethyl-3-methylimdazolium 4,5-dicyanoimidazolate 4,5-dicyanoimidazole","","- C16 H14 N10 -","- C16 H13.74 N10 -","- C128 H109.92 N80 -","8","1","","Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.","Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate","Chem. Commun.","2017","","","","","10.1039/C7CC04429A","","","0.71073","MoKα","","0.0717","0.0499","","","0.117","0.129","","","","","","1.023","","","","has coordinates","198653","2020-10-21","18:00:00",""
"7120452","10.973","0.0004","15.1158","0.0005","25.0975","0.0008","90","","90","","90","","4162.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C176 H184 N8 O48 -","8","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun","Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC04239F","","","0.71073","MoKα","","0.1016","0.0562","","","0.117","0.1458","","","","","","1.066","","","","has coordinates","198733","2020-10-21","18:00:00",""
"7120476","19.358","0.002","21.667","0.003","27.029","0.004","90","","90","","90","","11337","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C57.5 H85 N3 Si -","- C57.5 H85 N3 Si -","- C460 H680 N24 Si8 -","8","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Barman, Milan Kr.; Naik, Khevath Praveen Kumar; Chrysochos, Nicolas; Yildiz, Cem B.; Boomishankar, Ramamoorthy; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","NHC-stabilized 1-hydrosilaimine: synthesis, structure and reactivity","Chem. Commun.","2017","","","","","10.1039/C7CC03912C","","","0.71073","MoKα","","0.2216","0.116","","","0.269","0.327","","","","","","0.987","","","","has coordinates,has disorder","198796","2020-10-21","18:00:00",""
"7120514","14.1455","0.0013","16.62","0.0017","18.0982","0.0017","90","","90","","90","","4254.9","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Tsao, Fu An; Sathaseevan, Anson; Zhu, Hui; Grimme, Stefan; Erker, Gerhard; Stephan, Douglas W.","Stoichiometric and catalytic isomerization of alkenylboranes using bulky Lewis bases","Chem. Commun.","2017","","","","","10.1039/C7CC04904H","","","0.71073","MoKα","","0.0797","0.0567","","","0.1339","0.1487","","","","","","1.046","","","","has coordinates","199503","2020-10-21","18:00:00",""
"7120516","6.8364","0.0002","11.9343","0.0004","27.7283","0.0009","90","","90","","90","","2262.29","0.12","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 Na2 O14 S2 -","- C18 H20 N2 Na2 O14 S2 -","- C72 H80 N8 Na8 O56 S8 -","4","0.5","","Liao, Jian-Zhen; Chang, Jian-Fei; Meng, Lingyi; Zhang, Hai-Long; Wang, Sa-Sa; Lu, Can-Zhong","Lone pair-π interaction-induced generation of photochromic coordination networks with photoswitchable conductance","Chem. Commun.","2017","","","","","10.1039/C7CC05150F","","x-ray","1.54184","CuKα","","0.0304","0.0286","","","0.0791","0.0811","","","","","","1.039","","","","has coordinates","291143","2024-04-09","08:48:55",""
"7120734","10.22","0.007","14.584","0.01","17.645","0.012","90","","90","","90","","2630","3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H16 -","- C19 H16 -","- C152 H128 -","8","1","","Fang, Wei; Wei, Yin; Shi, Min","Gold(I)-Catalyzed Intramolecular Tandem Cyclization Reaction of Alkylidenecyclopropane-Containing Alkynes","Chem. Commun.","2017","","","","","10.1039/C7CC07042J","","","0.71073","MoKα","","0.107","0.0661","","","0.153","0.1744","","","","","","1.05","","","","has coordinates","201571","2020-10-21","18:00:00",""
"7120754","19.8872","0.0019","15.2811","0.0014","20.7702","0.0019","90","","90","","90","","6312","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 In N9 O4 S2 -","- C28 H26 In N9 O4 S2 -","- C224 H208 In8 N72 O32 S16 -","8","1","","Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia","Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00415J","","","0.71073","MoKα","","0.0965","0.0427","","","0.1035","0.113","","","","","","0.854","","","","has coordinates","201879","2020-10-21","18:00:00",""
"7120755","9.3189","0.0006","17.4284","0.0011","17.8836","0.0016","90","","90","","90","","2904.5","0.4","180","0.1","180","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 F4 N O2 S -","- C15 H11 F4 N O2 S -","- C120 H88 F32 N8 O16 S8 -","8","1","","Tang, Yefeng; Wang, Yuanhao; Li, Yuanhe; Fan, Yijun; Wang, Zhiguo","Palladium-Catalyzed Denitrogenative Functionalizations of Benzotriazoles with Alkenes and 1,3-Dienes","Chem. Commun.","2017","","","","","10.1039/C7CC07543J","","","0.71073","MoKα","","0.0812","0.0522","","","0.1219","0.1427","","","","","","1.032","","","","has coordinates","201901","2020-10-21","18:00:00",""
"7120865","15.049","0.011","14.809","0.01","29.11","0.02","90","","90","","90","","6487","8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H39 B2 F9 Fe N6 O2 -","- C29 H39 B2 F9 Fe N6 O2 -","- C232 H312 B16 F72 Fe8 N48 O16 -","8","1","","Gaudette, Alexandra; Thorarinsdottir, Agnes E.; Harris, David","pH-Dependent Spin State Population and 19F NMR Chemical Shift via Remote Ligand Protonation in an Iron(II) Complex","Chemical Communications","2017","","","","","10.1039/C7CC08158H","","","0.71073","MoKα","","0.1198","0.0785","","","0.1898","0.2152","","","","","","1.032","","","","has coordinates,has disorder","203093","2020-10-21","18:00:00",""
"7120956","20.0349","0.0005","20.6925","0.0005","21.5296","0.0005","90","","90","","90","","8925.6","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H62 B10 N4 Si -","- C41 H62 B10 N4 Si -","- C328 H496 B80 N32 Si8 -","8","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.0958","0.0638","","","0.1784","0.2087","","","","","","1.039","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7121036","21.9081","0.0006","8.3531","0.0002","22.4426","0.0007","90","","90","","90","","4107","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F6 O3 P S -","- C20 H15 F6 O3 P S -","- C160 H120 F48 O24 P8 S8 -","8","1","","Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.","Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.","Chemical communications (Cambridge, England)","2018","54","6","662","665","10.1039/c7cc09128a","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1201","0.1219","","","","","","1.062","","","","has coordinates","228247","2020-10-21","18:00:00",""
"7121038","14.9837","0.0019","19.103","0.002","27.308","0.003","90","","90","","90","","7816.5","1.5","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H15 B F23 P -","- C43 H15 B F23 P -","- C344 H120 B8 F184 P8 -","8","1","","Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.","Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.","Chemical communications (Cambridge, England)","2018","54","6","662","665","10.1039/c7cc09128a","","","0.71073","MoKα","","0.0777","0.0396","","","0.0823","0.099","","","","","","1.013","","","","has coordinates","228247","2020-10-21","18:00:00",""
"7121190","9.52631","0.00013","14.5795","0.0003","26.9344","0.0004","90","","90","","90","","3740.89","0.11","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O5 -","- C24 H20 O5 -","- C192 H160 O40 -","8","1","","Luo, Kui; Zhang, Ling; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Selectivity-switchable construction of benzo-fused polycyclic compounds through a gold-catalyzed reaction of enyne-lactone.","Chemical communications (Cambridge, England)","2018","54","15","1893","1896","10.1039/c7cc09786g","","x-ray","1.54184","CuKα","","0.0437","0.0424","","","0.1071","0.1081","","","","","","1.071","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7121209","26.8253","0.0005","24.577","0.0005","28.7258","0.0005","90","","90","","90","","18938.5","0.6","123.01","0.11","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C110.15 H130.3 As4 Cl0.3 Fe2 -","- C110.15 H130.3 As4 Cl0.3 Fe2 -","- C881.2 H1042.4 As32 Cl2.4 Fe16 -","8","1","","Heinl, S.; Timoshkin, A. Y.; Müller, J; Scheer, M.","Unexpected differences in the reactivity between the phosphorus and arsenic derivatives [(Cp<sup>BIG</sup>Fe)<sub>2</sub>(μ,η<sup>4:4</sup>-E<sub>4</sub>)] (E = P and As).","Chemical communications (Cambridge, England)","2018","54","18","2244","2247","10.1039/c7cc09730a","","x-ray","1.54178","CuKα","","0.0809","0.0589","","","0.1647","0.1751","","","","","","1.062","","","","has coordinates,has disorder","228440","2020-10-21","18:00:00",""
"7121222","5.8216","0.0002","19.8873","0.0008","27.2396","0.0009","90","","90","","90","","3153.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C160 H144 N16 -","8","1","","Wang, Ting-Ting; Zhang, Di; Liao, Wei-Wei","Versatile synthesis of functionalized β- and γ-carbolines via Pd-catalyzed C-H addition to nitriles/cyclization sequences.","Chemical communications (Cambridge, England)","2018","54","16","2048","2051","10.1039/c8cc00040a","","","1.54178","CuKα","","0.1748","0.1282","","","0.2265","0.2439","","","","","","1.039","","","","has coordinates","228283","2020-10-21","18:00:00",""
"7121254","14.7156","0.0004","23.4584","0.0006","23.8845","0.0007","90","","90","","90","","8245","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H59 Cl3 P2 W -","- C32 H59 Cl3 P2 W -","- C256 H472 Cl24 P16 W8 -","8","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0718","0.0525","","","0.1224","0.1335","","","","","","1.077","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121425","12.646","0.013","7.002","0.007","22.75","0.02","90","","90","","90","","2014","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","BS-II-U-69 2,3,5,6-Me4-pyrazine-1-oxide, urea","","- C9 H16 N4 O2 -","- C9 H16 N4 O2 -","- C72 H128 N32 O16 -","8","1","","Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B","Modulating the physical properties of solid forms of urea using co-crystallization technology.","Chemical communications (Cambridge, England)","2018","54","37","4657","4660","10.1039/C8CC01144C","","","0.71073","MoKα","","0.0933","0.0586","","","0.1505","0.1694","","","","","","1.055","","","","has coordinates","228034","2020-10-21","18:00:00",""
"7121499","17.4028","0.0011","13.7025","0.0006","23.9113","0.0009","90","","90","","90","","5701.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1097","0.0775","","","0.1756","0.1958","","","","","","1.031","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121500","17.5861","0.0012","13.7084","0.0007","23.9914","0.0012","90","","90","","90","","5783.8","0.6","210","2","210","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1531","0.0886","","","0.1756","0.203","","","","","","1.059","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121501","17.7039","0.0013","13.7664","0.0008","24.2192","0.0012","90","","90","","90","","5902.7","0.6","420","2","420","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1545","0.0762","","","0.1687","0.2016","","","","","","1.027","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121502","17.4184","0.0015","13.6963","0.0006","23.9378","0.0014","90","","90","","90","","5710.8","0.6","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1305","0.0888","","","0.1956","0.2185","","","","","","1.02","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121503","17.5771","0.0013","13.7282","0.0008","24.1464","0.0013","90","","90","","90","","5826.6","0.6","320","2","320","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1215","0.0734","","","0.169","0.1924","","","","","","1.095","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121504","17.5344","0.0014","13.7273","0.0009","24.1221","0.0013","90","","90","","90","","5806.2","0.7","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1076","0.0701","","","0.1576","0.1821","","","","","","1.021","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121505","17.4508","0.0012","13.6959","0.0008","23.9469","0.0017","90","","90","","90","","5723.4","0.7","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1547","0.1121","","","0.2386","0.2625","","","","","","1.042","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121506","17.645","0.002","13.7539","0.0009","24.1705","0.0016","90","","90","","90","","5865.9","0.9","370","2","370","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1411","0.0826","","","0.1735","0.201","","","","","","1.069","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121507","17.7542","0.0012","13.831","0.0008","24.2599","0.0012","90","","90","","90","","5957.2","0.6","470","2","470","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1925","0.0929","","","0.2012","0.2432","","","","","","1.038","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121509","17.4944","0.0014","13.7191","0.0008","24.0762","0.0012","90","","90","","90","","5778.5","0.6","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1336","0.0812","","","0.1766","0.2043","","","","","","1.031","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121538","7.2027","0.0013","18.296","0.003","22.189","0.004","90","","90","","90","","2924.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 -","- C20 H14 O3 -","- C160 H112 O24 -","8","1","","Zhang, Huiwen; Ma, Chunmei; Zheng, Ziwei; Sun, Rengwei; Yu, Xinhong; Zhao, Jianhong","Synthesis of 2-arylbenzofuran-3-carbaldehydes via an organocatalytic [3+2] annulation/oxidative aromatization reaction.","Chemical communications (Cambridge, England)","2018","54","39","4935","4938","10.1039/c8cc02474j","","","0.71073","MoKα","","0.0614","0.0458","","","0.115","0.1256","","","","","","1.034","","","","has coordinates","228170","2020-10-21","18:00:00",""
"7121755","12.08","","11.704","","16.182","","90","","90","","90","","2287.88","","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(3,3-diiodo-3-nitropropyl)benzene","","- C9 H9 I2 N O2 -","- C9 H9 I2 N O2 -","- C72 H72 I16 N8 O16 -","8","1","","Li, Jing; Lear, Martin J.; Hayashi, Yujiro","Autoinductive conversion of α,α-diiodonitroalkanes to amides and esters catalysed by iodine byproducts under O<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","49","6360","6363","10.1039/c8cc03191f","","","0.71075","MoKα","","0.0743","0.0716","","","0.2076","0.2096","","","","","","1.193","","","","has coordinates","228492","2020-10-21","18:00:00",""
"7121758","16.0812","0.0007","15.1354","0.0007","29.4358","0.0013","90","","90","","90","","7164.5","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H56 Cl2 O2 P2 Rh2 -","- C34 H56 Cl2 O2 P2 Rh2 -","- C272 H448 Cl16 O16 P16 Rh16 -","8","1","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","0.71073","MoKα","","0.0467","0.0327","","","0.0744","0.0826","","","","","","1.037","","","","has coordinates","228491","2020-10-21","18:00:00",""
"7121798","10.885","0.003","9.108","0.002","13.576","0.003","90","","90","","90","","1345.9","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B5 F O8 Pb -","- B5 F O8 Pb -","- B40 F8 O64 Pb8 -","8","1","","Mutailipu, Miriding; Zhang, Min; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","The first lead fluorooxoborate PbB<sub>5</sub>O<sub>8</sub>F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge.","Chemical communications (Cambridge, England)","2018","54","49","6308","6311","10.1039/c8cc02694g","","","0.71073","MoKα","","0.0323","0.0218","","","0.0444","0.0481","","","","","","1.017","","","","has coordinates","228494","2020-10-21","18:00:00",""
"7121828","8.3324","0.0007","18.0049","0.0015","18.9382","0.0019","90","","90","","90","","2841.2","0.4","296.32","0.1","296.32","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C136 H104 F16 N8 O16 -","8","1","","Ma, Xingxing; Mai, Shaoyu; Zhou, Yao; Cheng, Gui-Juan; Song, Qiuling","Dual role of ethyl bromodifluoroacetate in the formation of fluorine-containing heteroaromatic compounds.","Chemical communications (Cambridge, England)","2018","54","65","8960","8963","10.1039/c8cc04298e","","x-ray","0.71073","MoKα","","0.0657","0.0445","","","0.1082","0.1237","","","","","","1.0611","","","","has coordinates","228538","2020-10-21","18:00:00",""
"7121845","10.619","0.002","9.676","0.002","28.661","0.006","90","","90","","90","","2944.9","1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C152 H144 N16 -","8","1","","Liu, Siyuan; Qu, Jingping; Wang, Baomin","Substrate-controlled divergent synthesis of polycyclic indoloazepines and indolodiazepines via 1,5-hydride shift/7-cyclization cascades.","Chemical communications (Cambridge, England)","2018","54","57","7928","7931","10.1039/c8cc03804j","","","0.71073","MoKα","","0.0659","0.0427","","","0.1076","0.123","","","","","","1.04","","","","has coordinates","228264","2020-10-21","18:00:00",""
"7121853","15.4304","0.0005","14.9823","0.0004","16.4747","0.0005","90","","90","","90","","3808.7","0.2","295.4","0.2","295.4","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Br Cl N2 O Rh -","- C17 H21 Br Cl N2 O Rh -","- C136 H168 Br8 Cl8 N16 O8 Rh8 -","8","1","","He, Shuang; Tan, Guangying; Luo, Anping; You, Jingsong","Rhodium-catalyzed oxidative C-H/C-H cross-coupling of aniline with heteroarene: N-nitroso group enabled mild conditions.","Chemical communications (Cambridge, England)","2018","54","56","7794","7797","10.1039/c8cc04027c","","x-ray","1.54184","CuKα","","0.0587","0.0555","","","0.1466","0.1519","","","","","","1.082","","","","has coordinates","228138","2020-10-21","18:00:00",""
"7121897","20.912","0.004","16.921","0.003","30.492","0.006","90","","90","","90","","10790","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H87 Fe N5 Si5 -","- C45 H87 Fe N5 Si5 -","- C360 H696 Fe8 N40 Si40 -","8","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71073","MoKα","","0.1166","0.0845","","","0.2021","0.2299","","","","","","1.084","","","","has coordinates","228117","2020-10-21","18:00:00",""
"7121914","19.0048","0.0007","7.986","0.0003","23.0446","0.001","90","","90","","90","","3497.5","0.2","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 B N -","- C22 H22 B N -","- C176 H176 B8 N8 -","8","1","","Li, Hai-Jun; Mellerup, Soren K.; Wang, Xiang; Wang, Suning","Transforming benzylideneamine N,C-chelate boron compounds to BN-cycloocta-/cyclohepta-trienes bearing a tetrasubstituted B[double bond, length as m-dash]N unit via photoisomerization.","Chemical communications (Cambridge, England)","2018","54","59","8245","8248","10.1039/c8cc04535f","","","0.71073","MoKα","","0.1105","0.0571","","","0.111","0.1348","","","","","","1.06","","","","has coordinates","228556","2020-10-21","18:00:00",""
"7121995","11.6111","0.0003","8.5608","0.0002","26.6519","0.0006","90","","90","","90","","2649.21","0.11","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N O2 -","- C18 H13 N O2 -","- C144 H104 N8 O16 -","8","1","","Ding, Jun; Jiang, Wei; Bai, He-Yuan; Ding, Tong-Mei; Gao, Dafang; Bao, Xiaoguang; Zhang, Shu-Yu","Experimental and computational studies on H<sub>2</sub>O-promoted, Rh-catalyzed transient-ligand-free ortho-C(sp<sup>2</sup>)-H amidation of benzaldehydes with dioxazolones.","Chemical communications (Cambridge, England)","2018","54","64","8889","8892","10.1039/c8cc04904a","","","1.54178","CuKα","","0.0346","0.0332","","","0.0916","0.093","","","","","","1.079","","","","has coordinates","228236","2020-10-21","18:00:00",""
"7122041","17.2304","0.0017","13.7966","0.0014","22.128","0.003","90","","90","","90","","5260.3","1","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H18 B2 F15 N -","- C26 H18 B2 F15 N -","- C208 H144 B16 F120 N8 -","8","1","","Winner, Lena; Bélanger-Chabot, Guillaume; Celik, Mehmet Ali; Schäfer, Marius; Braunschweig, Holger","Intriguing migrations in transient iminoborane adducts: two new pathways to aminoboranes.","Chemical communications (Cambridge, England)","2018","54","67","9349","9351","10.1039/c8cc05220d","","","0.71073","MoKα","","0.0913","0.0522","","","0.1205","0.1403","","","","","","1.023","","","","has coordinates","228571","2020-10-21","18:00:00",""
"7122046","8.821","0.0019","9.509","0.002","19.681","0.004","90","","90","","90","","1650.8","0.6","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.1098","0.0619","","","0.1536","0.1835","","","","","","1.018","","","","has coordinates","228572","2020-10-21","18:00:00",""
"7122052","11.4945","0.0017","11.5752","0.0018","16.011","0.002","90","","90","","90","","2130.3","0.5","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H4 Cl N7 O8 -","- C4 H4 Cl N7 O8 -","- C32 H32 Cl8 N56 O64 -","8","1","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0354","0.0295","","","0.0744","0.0784","","","","","","1.039","","","","has coordinates,has disorder","228572","2020-10-21","18:00:00",""
"7122197","9.3869","0.0019","15.742","0.003","25.114","0.005","90","","90","","90","","3711.1","1.3","153","2","153.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 N18 O8 -","- C12 N18 O8 -","- C96 N144 O64 -","8","1","","Yang, Xiaoming; Lin, Xinyu; Yang, Li; Zhang, Tonglai","A novel method to synthesize stable nitrogen-rich polynitrobenzenes with π-stacking for high-energy-density energetic materials.","Chemical communications (Cambridge, England)","2018","54","73","10296","10299","10.1039/c8cc05413d","","","0.71073","MoKα","","0.1278","0.1082","","","0.1811","0.1893","","","","","","1.284","","","","has coordinates","228043","2020-10-21","18:00:00",""
"7122200","11.1132","0.0004","15.6569","0.0006","28.295","0.0012","90","","90","","90","","4923.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GDR-NiH(t-Bu)2","","","- C21 H41 N3 Ni P2 -","- C21 H41 N3 Ni P2 -","- C168 H328 N24 Ni8 P16 -","8","1","","Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","Diverse catalytic reactivity of a dearomatized PN<sup>3</sup>P*-nickel hydride pincer complex towards CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2018","54","81","11395","11398","10.1039/c8cc05948a","","","0.71073","MoKα","","0.0508","0.0391","","","0.0982","0.1055","","","","","","1.049","","","","has coordinates","228109","2020-10-21","18:00:00",""
"7122241","16.5242","0.0015","9.503","0.0008","26.035","0.003","90","","90","","90","","4088.3","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Br Mn N2 O3 S -","- C18 H18 Br Mn N2 O3 S -","- C144 H144 Br8 Mn8 N16 O24 S8 -","8","1","","Das, Kalicharan; Mondal, Avijit; Srimani, Dipankar","Phosphine free Mn-complex catalysed dehydrogenative C-C and C-heteroatom bond formation: a sustainable approach to synthesize quinoxaline, pyrazine, benzothiazole and quinoline derivatives.","Chemical communications (Cambridge, England)","2018","54","75","10582","10585","10.1039/c8cc05877f","","","0.71073","MoKα","","0.0816","0.0448","","","0.1273","0.1531","","","","","","0.956","","","","has coordinates","228181","2020-10-21","18:00:00",""
"7122287","16.7303","0.001","17.878","0.002","24.095","0.002","90","","90","","90","","7206.9","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H35 F14 N O2 P4 W3 -","- C22 H35 F14 N O2 P4 W3 -","- C176 H280 F112 N8 O16 P32 W24 -","8","1","","Levason, William; Monzittu, Francesco M.; Reid, Gillian; Zhang, Wenjian","Neutral and cationic tungsten(vi) fluoride complexes with tertiary phosphine and arsine coordination.","Chemical communications (Cambridge, England)","2018","54","83","11681","11684","10.1039/c8cc05598j","","x-ray","0.71073","MoKα","","0.0678","0.0412","","","0.0863","0.1013","","","","","","1.065","","","","has coordinates","228093","2020-10-21","18:00:00",""
"7122326","10.2177","0.001","11.0976","0.0011","19.154","0.002","90","","90","","90","","2171.9","0.4","189","17","189","17","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C88 H104 N40 -","8","1","","Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min","Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.","Chemical communications (Cambridge, England)","2018","54","79","11148","11151","10.1039/c8cc06324a","","","0.71073","MoKα","","0.1215","0.0621","","","0.1319","0.1694","","","","","","0.983","","","","has coordinates","228224","2020-10-21","18:00:00",""
"7122342","12.2322","0.0013","15.6754","0.0016","24.857","0.003","90","","90","","90","","4766.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C256 H184 N8 O16 -","8","1","","Kong, Lingkai; Wang, Mengdan; Wang, Ye; Song, Bo; Yang, Yajie; Yao, Qiyi; Li, Yanzhong","Merging base-promoted C-C bond cleavage and iron-catalyzed skeletal rearrangement involving C-C/C-H bond activation: synthesis of highly functionalized carbazoles.","Chemical communications (Cambridge, England)","2018","54","78","11009","11012","10.1039/c8cc06074f","","","0.71073","MoKα","","0.084","0.0428","","","0.1055","0.1384","","","","","","1.085","","","","has coordinates","227986","2020-10-21","18:00:00",""
"7122349","14.3755","0.0008","11.2861","0.0006","51.571","0.003","90","","90","","90","","8367.1","0.8","170","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 B9 N Na O5 S2 -","- C11 H25 B9 N Na O5 S2 -","- C88 H200 B72 N8 Na8 O40 S16 -","8","1","","Liang, Xuewei; Shen, Yunjun; Zhang, Kang; Liu, Jiyong; Duttwyler, Simon","Rhodium(iii)-catalyzed dehydrogenative dialkenylation of the monocarba-closo-decaborate cluster by regioselective B-H activation.","Chemical communications (Cambridge, England)","2018","54","88","12451","12454","10.1039/c8cc05983g","","","1.34139","GaKα","","0.1897","0.165","","","0.3796","0.3961","","","","","","0.924","","","","has coordinates","228197","2020-10-21","18:00:00",""
"7122370","15.19917","0.00012","13.84434","0.00012","21.58924","0.00015","90","","90","","90","","4542.86","0.06","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H28 B Fe N7 S -","- C21 H28 B Fe N7 S -","- C168 H224 B8 Fe8 N56 S8 -","8","1","","Fischer, Anne A.; Lindeman, Sergey V.; Fiedler, Adam T.","A synthetic model of the nonheme iron-superoxo intermediate of cysteine dioxygenase.","Chemical communications (Cambridge, England)","2018","54","80","11344","11347","10.1039/c8cc06247a","","x-ray","1.54184","CuKα","","0.0265","0.0245","","","0.0629","0.0643","","","","","","1.035","","","","has coordinates","228361","2020-10-21","18:00:00",""
"7122400","16.4464","0.0003","18.2277","0.0003","24.0228","0.0003","90","","90","","90","","7201.6","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H47 B N P -","- C42 H47 B N P -","- C336 H376 B8 N8 P8 -","8","1","","Lee, Young Hoon; Jana, Saibal; Lee, Heechai; Lee, Sang Uck; Lee, Min Hyung","Rational design of time-resolved turn-on fluorescence sensors: exploiting delayed fluorescence for hydrogen peroxide sensing.","Chemical communications (Cambridge, England)","2018","54","85","12069","12072","10.1039/c8cc07397j","","","0.71073","MoKα","","0.1032","0.0601","","","0.1543","0.1788","","","","","","1.054","","","","has coordinates","228381","2020-10-21","18:00:00",""
"7122415","5.8417","0.0002","26.828","0.0009","28.4867","0.0011","90","","90","","90","","4464.5","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl2 N2 -","- C23 H20 Cl2 N2 -","- C184 H160 Cl16 N16 -","8","1","","Yang, Yuwen; Yang, Weibo","Divergent synthesis of N-heterocycles by Pd-catalyzed controllable cyclization of vinylethylene carbonates.","Chemical communications (Cambridge, England)","2018","54","86","12182","12185","10.1039/c8cc06945j","","","1.54178","CuKα","","0.0917","0.0668","","","0.1439","0.1557","","","","","","1.081","","","","has coordinates","227984","2020-10-21","18:00:00",""
"7122430","15.073","0.0004","20.533","0.0005","20.5731","0.0005","90","","90","","90","","6367.2","0.3","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H34 B N6 O2 P W -","- C26 H34 B N6 O2 P W -","- C208 H272 B8 N48 O16 P8 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","1.54184","CuKα","","0.0709","0.058","","","0.1504","0.1676","","","","","","1.039","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122443","18.5434","0.0006","8.2224","0.0003","18.7134","0.0007","90","","90","","90","","2853.26","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","","Panchal, Heena; Clarke, Christopher; Bell, Charles; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai","Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols.","Chemical communications (Cambridge, England)","2018","54","87","12389","12392","10.1039/c8cc06388e","","x-ray","1.54184","CuKα","","0.0398","0.0355","","","0.089","0.0922","","","","","","1.052","","","","has coordinates,has disorder","228609","2020-10-21","18:00:00",""
"7122530","16.1521","0.0009","17.3762","0.0009","20.485","0.0011","90","","90","","90","","5749.4","0.5","299","2","299","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cl F6 Fe2 N3 P S2 -","- C20 H36 Cl F6 Fe2 N3 P S2 -","- C160 H288 Cl8 F48 Fe16 N24 P8 S16 -","8","1","","Su, Linan; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Methylene insertion into an Fe<sub>2</sub>S<sub>2</sub> cluster: formation of a thiolate-bridged diiron complex containing an Fe-CH<sub>2</sub>-S moiety.","Chemical communications (Cambridge, England)","2018","54","93","13119","13122","10.1039/c8cc07418f","","","0.71073","MoKα","","0.0799","0.0618","","","0.1773","0.1887","","","","","","1.026","","","","has coordinates","228129","2020-10-21","18:00:00",""
"7122532","11.7179","0.0006","15.2415","0.0008","33.0452","0.0017","90","","90","","90","","5901.8","0.5","295","2","295","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H38 Cl F6 Fe2 N3 P S2 -","- C21 H38 Cl F6 Fe2 N3 P S2 -","- C168 H304 Cl8 F48 Fe16 N24 P8 S16 -","8","1","","Su, Linan; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Methylene insertion into an Fe<sub>2</sub>S<sub>2</sub> cluster: formation of a thiolate-bridged diiron complex containing an Fe-CH<sub>2</sub>-S moiety.","Chemical communications (Cambridge, England)","2018","54","93","13119","13122","10.1039/c8cc07418f","","","0.71073","MoKα","","0.1161","0.0797","","","0.1799","0.195","","","","","","1.012","","","","has coordinates","228129","2020-10-21","18:00:00",""
"7122549","16.007","0.003","21.007","0.004","55.589","0.011","90","","90","","90","","18692","6","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H64 Dy2 N12 O24 Zn3 -","- C86 H64 Dy2 N12 O24 Zn3 -","- C688 H512 Dy16 N96 O192 Zn24 -","8","1","","Liu, Cai-Ming; Zhang, De-Qing; Xiong, Ren-Gen; Hao, Xiang; Zhu, Dao-Ben","A homochiral Zn-Dy heterometallic left-handed helical chain complex without chiral ligands: anion-induced assembly and multifunctional integration.","Chemical communications (Cambridge, England)","2018","54","95","13379","13382","10.1039/c8cc07468b","","","0.71073","MoKα","","0.0866","0.0784","","","0.216","0.2268","","","","","","1.179","","","","has coordinates,has disorder","228530","2020-10-21","18:00:00",""
"7122634","13.692","0.003","9.81","0.002","21.438","0.005","90","","90","","90","","2879.5","1.1","296","2","296","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","unk","","- C2.48 H2.07 N0.14 O0.41 -","- C2.48276 H2.06897 N0.137931 O0.413793 -","- C144 H120 N8 O24 -","58","7.25","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.0661","0.0463","","","0.1193","0.1312","","","","","","1.053","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122648","13.5926","0.0004","17.2078","0.0007","17.6656","0.0007","90","","90","","90","","4132","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Co P2 -","- C20 H36 Co P2 -","- C160 H288 Co8 P16 -","8","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0462","0.04","","","0.083","0.0858","","","","","","1.094","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122662","7.6972","0.0003","12.837","0.0004","25.266","0.0011","90","","90","","90","","2496.51","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C96 H96 N16 O40 -","8","1","","An, Yang; Zhang, Xiao-Ming; Li, Ze-Yu; Xiong, Wen-Hui; Yu, Run-Dong; Zhang, Fu-Min","Transition-Metal-Free α-Arylation of Nitroketones with Diaryliodonium Salts for the Synthesis of Tertiary α-Aryl, α-Nitro Ketones","Chemical Communications","2018","","","","","10.1039/C8CC08920E","","","0.71073","MoKα","","0.0879","0.0566","","","0.1319","0.1546","","","","","","1.049","","","","has coordinates","212234","2020-10-21","18:00:00",""
"7122663","11.0589","0.0009","12.7626","0.0013","15.34","0.0012","90","","90","","90","","2165.1","0.3","291.01","0.1","291.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","","An, Yang; Zhang, Xiao-Ming; Li, Ze-Yu; Xiong, Wen-Hui; Yu, Run-Dong; Zhang, Fu-Min","Transition-Metal-Free α-Arylation of Nitroketones with Diaryliodonium Salts for the Synthesis of Tertiary α-Aryl, α-Nitro Ketones","Chemical Communications","2018","","","","","10.1039/C8CC08920E","","","0.7107","MoKα","","0.0989","0.0582","","","0.118","0.1468","","","","","","1.103","","","","has coordinates","212234","2020-10-21","18:00:00",""
"7122698","9.5768","0.0017","13.256","0.002","23.625","0.004","90","","90","","90","","2999.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","hexanitrohexaazaisowurtzitane and nitrous oxide","HNIW-N2O","","- C12 H12 N26 O25 -","- C12 H12 N26 O25 -","- C48 H48 N104 O100 -","4","0.5","","Xu, Jinjiang; Zheng, Shensheng; Huang, Shiliang; Tian, Yong; Liu, Yu; Zhang, Haobin; Sun, Jie","Host-guest energetic materials constructed by incorporating oxidizing gas molecule into organic lattice cavity toward high-energetic and low-sensitive performance","Chemical Communications","2018","","","","","10.1039/C8CC07347C","","","0.71073","MoKα","","0.0984","0.0556","","","0.1604","0.1937","","","","","","1.013","","","","has coordinates","212384","2020-10-21","18:00:00",""
"7122699","9.6731","0.001","13.2031","0.0012","23.553","0.002","90","","90","","90","","3008.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","HNIW-CO2","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Xu, Jinjiang; Zheng, Shensheng; Huang, Shiliang; Tian, Yong; Liu, Yu; Zhang, Haobin; Sun, Jie","Host-guest energetic materials constructed by incorporating oxidizing gas molecule into organic lattice cavity toward high-energetic and low-sensitive performance","Chemical Communications","2018","","","","","10.1039/C8CC07347C","","","0.71073","MoKα","","0.0417","0.0367","","","0.091","0.0947","","","","","","1.036","","","","has coordinates","212384","2020-10-21","18:00:00",""
"7122707","18.469","0.004","19.153","0.004","22.78","0.005","90","","90","","90","","8058","3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H56 Eu I2 N2 O4 -","- C37 H56 Eu I2 N2 O4 -","- C296 H448 Eu8 I16 N16 O32 -","8","1","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.0636","0.0419","","","0.1033","0.1144","","","","","","1.007","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122709","18.494","0.004","19.122","0.004","22.718","0.005","90","","90","","90","","8034","3","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H56 I2 N2 O4 Yb -","- C37 H56 I2 N2 O4 Yb -","- C296 H448 I16 N16 O32 Yb8 -","8","1","","Simler, Thomas; Feuerstein, Thomas J.; Yadav, Ravi; Gamer, Michael T.; Roesky, Peter W.","Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions","Chemical Communications","2019","","","","","10.1039/C8CC08120D","","x-ray","0.71073","MoKα","","0.051","0.031","","","0.0672","0.0713","","","","","","0.941","","","","has coordinates,has disorder","212480","2020-10-21","18:00:00",""
"7122851","8.5328","0.0001","10.2996","0.0001","23.8575","0.0003","90","","90","","90","","2096.7","0.04","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F N O3 -","- C11 H12 F N O3 -","- C88 H96 F8 N8 O24 -","8","1","","Cosimi, Elena; Trapp, Nils; Ebert, Marc-Olivier; Wennemers, Helma","Combined Experimental and Theoretical Study of Long-Range H F Interactions in α Fluoro Amides","Chemical Communications","2019","","","","","10.1039/C8CC09987A","","x-ray","1.54184","CuKα","","0.0422","0.0401","","","0.1155","0.1176","","","","","","1.069","","","","has coordinates","213166","2020-10-21","18:00:00",""
"7122894","10.103","0.002","15.864","0.004","16.92","0.004","90","","90","","90","","2711.8","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl3 N O -","- C12 H14 Cl3 N O -","- C96 H112 Cl24 N8 O8 -","8","1","","Huang, Xin; Zhao, Weizhao; Chen, De-Li; Zhan, Yaling; Zeng, Tingting; Jin, Huiquan; Peng, Bo","Benzyne-Mediated Trichloromethylation of Chiral Oxazolines","Chemical Communications","2019","","","","","10.1039/C9CC00557A","","","0.71073","MoKα","","0.1086","0.073","","","0.2385","0.264","","","","","","1.679","","","","has coordinates","213302","2020-10-21","18:00:00",""
"7122905","25.6777","0.001","15.169","0.006","8.027","0.003","90","","90","","90","","3126.6","1.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C152 H160 O24 -","8","1","","Fernandes, Rodney Agustinho; Kunkalkar, Rupesh A.","Lewis Acid-Catalyzed Annulative Partial Dimerization of 3-Aryloxyacrylates to 4-Arylchroman-2-ones: Synthesis of Analogues of Tolterodine, RORγ Inhibitor and a GPR40 Agonist","Chemical Communications","2019","","","","","10.1039/C8CC09785B","","","0.7107","MoKα","","0.067","0.0555","","","0.1316","0.1395","","","","","","1.088","","","","has coordinates","213369","2020-10-21","18:00:00",""
"7122919","14.2279","0.0014","21.336","0.002","21.634","0.002","90","","90","","90","","6567.4","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 N2 O2 P2 Rh -","- C39 H35 N2 O2 P2 Rh -","- C312 H280 N16 O16 P16 Rh8 -","8","1","","Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton","Halogen Bonding Effects on the Outcome of Reactions at Metal Centres","Chemical Communications","2019","","","","","10.1039/C8CC08884E","","","0.71073","MoKα","","0.0471","0.0312","","","0.073","0.0819","","","","","","1.045","","","","has coordinates","213408","2020-10-21","18:00:00",""
"7122930","16.5024","0.0004","11.142","0.0002","19.3013","0.0005","90","","90","","90","","3548.93","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C168 H176 N16 O8 -","8","1","","Sun, Kai; Li, Shi-Jun; Chen, Xiaolan; Liu, Yan; Huang, Xianqiang; Wei, Donghui; Qu, Lingbo; Zhao, Yufen; Yu, Bing","Silver-Catalyzed Decarboxylative Radical Cascade Cyclization toward Benzimidazo[2,1-a]isoquinolin-6(5H)-ones","Chemical Communications","2019","","","","","10.1039/C8CC10243K","","x-ray","1.54184","CuKα","","0.0564","0.0468","","","0.1327","0.1428","","","","","","1.07","","","","has coordinates","213482","2020-10-21","18:00:00",""
"7122958","28.7006","0.0004","30.9417","0.0006","33.8959","0.0006","90","","90","","90","","30101.1","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C129 H201 Cr7 F8 N O34 Zn -","- C129 H201 Cr7 F8 N O34 Zn -","- C1032 H1608 Cr56 F64 N8 O272 Zn8 -","8","1","","Ferrando-Soria, Jesus; Fernandez, Antonio; Vitorica-Yrzebal, Inigo; Asthana, Deepak; Muryn, Christopher; Tuna, Floriana; Timco, Grigore A.; Winpenny, Richard E. P.","Formation of an Interlocked Double-Chain from an Organic-Inorganic [2]Rotaxane","Chemical Communications","2019","","","","","10.1039/C8CC09339C","","x-ray","1.54184","CuKα","","0.1348","0.0991","","","0.2595","0.2856","","","","","","1.061","","","","has coordinates,has disorder","213594","2020-10-21","18:00:00",""
"7123007","14.4739","0.0008","13.8064","0.0007","20.751","0.0011","90","","90","","90","","4146.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Ag2 Fe N8 -","- C20 H12 Ag2 Fe N8 -","- C160 H96 Ag16 Fe8 N64 -","8","1","","Hiiuk, Volodymyr M.; Sova, Sergiu; Rotaru, Aurelian; Ksenofontov, Vadim; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Room Temperature Hysteretic Spin Crossover in a New Cyanoheterometallic Framework","Chemical Communications","2019","","","","","10.1039/C8CC10260K","","x-ray","0.71073","MoKα","","0.0833","0.0661","","","0.1067","0.1129","","","","","","1.21","","","","has coordinates","213706","2020-10-21","18:00:00",""
"7123008","15.1721","0.0015","14.0669","0.0012","21.086","0.002","90","","90","","90","","4500.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Ag2 Fe N8 -","- C20 H12 Ag2 Fe N8 -","- C160 H96 Ag16 Fe8 N64 -","8","1","","Hiiuk, Volodymyr M.; Sova, Sergiu; Rotaru, Aurelian; Ksenofontov, Vadim; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Room Temperature Hysteretic Spin Crossover in a New Cyanoheterometallic Framework","Chemical Communications","2019","","","","","10.1039/C8CC10260K","","x-ray","0.71073","MoKα","","0.1177","0.0894","","","0.1726","0.1889","","","","","","1.189","","","","has coordinates","213706","2020-10-21","18:00:00",""
"7123049","11.4586","0.0016","19.143","0.003","30.168","0.004","90","","90","","90","","6617.4","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H54 B N3 O2 Si3 -","- C27 H54 B N3 O2 Si3 -","- C216 H432 B8 N24 O16 Si24 -","8","1","","Roesky, Herbert W.; Swamy, V S. V. S. N.; Vanka, Kumar; Raj, K. Vipin; Sen, Sakya Singha","Silylene induced cooperative B‒H bond activation and unprecedented aldehyde C‒H bond splitting with amidinate ring expansion","Chemical Communications","2019","","","","","10.1039/C9CC00296K","","","1.54178","CuKα","","0.1063","0.0819","","","0.2416","0.282","","","","","","1.179","","","","has coordinates","213838","2020-10-21","18:00:00",""
"7123057","9.155","0.002","7.2579","0.0017","23.291","0.005","90","","90","","90","","1547.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O5 -","- C4 H6 N6 O5 -","- C32 H48 N48 O40 -","8","1","","Yan, Chao; Qi, Xiujuan; Wang, Kangcai; Jin, Yunhe; Cheng, Guangbin; Liu, Tianlin; Yang, Hongwei; Zhang, Qinghua","Revisiting the Reactive Chemistry of FOX-7: Cyclization of FOX-7 Affords Fused-Ring Polynitro Compounds","Chemical Communications","2019","","","","","10.1039/C8CC10178G","","","0.71073","MoKα","","0.0856","0.0551","","","0.1372","0.154","","","","","","1.043","","","","has coordinates,has disorder","213860","2020-10-21","18:00:00",""
"7123139","7.0608","0.0004","12.8843","0.0008","27.9209","0.0018","90","","90","","90","","2540.1","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibenzo[b,e]phosphindolizine-P-selenide","","- C16 H11 P Se -","- C16 H11 P Se -","- C128 H88 P8 Se8 -","8","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0312","0.0283","","","0.0698","0.0714","","","","","","1.083","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123141","7.099","0.002","12.75","0.004","27.638","0.009","90","","90","","90","","2501.6","1.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibenzo[b,e]phosphindolizine-P-sulfide","","- C16 H11 P S -","- C16 H11 P S -","- C128 H88 P8 S8 -","8","1","","Tsurusaki, Akihiro; Matsumoto, Hiroyo; Kamikawa, Ken","Dibenzo[b,e]phosphindolizines Synthesized by Ring-Closing Metathesis of Benzo[b]phospholes with Two Vinyl Tethers","Chemical Communications","2019","","","","","10.1039/C9CC00463G","","","0.71075","MoKα","","0.0361","0.0347","","","0.0885","0.0899","","","","","","1.037","","","","has coordinates","214111","2020-10-21","18:00:00",""
"7123159","16.345","0.002","16.183","0.002","17.291","0.003","90","","90","","90","","4573.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H37 Cl N Si -","- C22 H37 Cl N Si -","- C176 H296 Cl8 N8 Si8 -","8","1","","Roesky, Herbert W.; Sinhababu, Soumen; Kundu, Subrata; Siddiqui, Mujahuddin M.; Paesch, Alexander N.; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Saha, Pinaki; Zhao, Lili; Schwederski, Brigitte; Kaim, Wolfgang","Cyclic Alkyl(amino) Carbene Stabilized Biradical of Dimethylsilicon and Dimethylsiliconchloride Radical: Synthesized from Me2SiCl2 - an Important Feedstock Material","Chemical Communications","2019","","","","","10.1039/C9CC01448A","","","0.71073","MoKα","","0.0342","0.0281","","","0.0744","0.0791","","","","","","1.027","","","","has coordinates","214227","2020-10-21","18:00:00",""
"7123160","21.15","0.003","17.374","0.002","26.768","0.003","90","","90","","90","","9836","2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H82 Cu8 N38 Na4 O22 -","- C76 H82 Cu8 N38 Na4 O22 -","- C304 H328 Cu32 N152 Na16 O88 -","4","0.5","","Li, Quan-Quan; He, peng-xiu; Zhang, Jin; Zhang, Jidong; Xin, Yu Meng; Liu, Ping; Wang, Yao-Yu; Li, Jianli","Substituent changes in salen of CuIINaI-complexes to induce the various structure and catalytic activity towards 2-imidazolines from nitriles and 1,2-diaminopropane","Chemical Communications","2019","","","","","10.1039/C9CC00879A","","","0.71073","MoKα","","0.1151","0.0487","","","0.1012","0.1235","","","","","","1.003","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7123171","17.3175","0.0005","8.5617","0.0003","18.9646","0.0006","90","","90","","90","","2811.83","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C72 H48 Cl24 Cu24 N48 -","8","1","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.0628","0.0526","","","0.1459","0.1511","","","","","","1.059","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123172","17.5436","0.0011","8.6121","0.0006","19.0546","0.001","90","","90","","90","","2878.9","0.3","300","1","300","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl3 Cu3 N6 -","- C9 H6 Cl3 Cu3 N6 -","- C72 H48 Cl24 Cu24 N48 -","8","1","","Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang","A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit","Chemical Communications","2019","","","","","10.1039/C9CC00716D","","x-ray","1.54184","CuKα","","0.0777","0.0546","","","0.1442","0.1583","","","","","","1.063","","","","has coordinates","214275","2020-10-21","18:00:00",""
"7123264","15.5413","0.0006","17.043","0.0009","30.48","0.012","90","","90","","90","","8073","3","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Hg3 N2 Si6 -","- C34 H40 Hg3 N2 Si6 -","- C272 H320 Hg24 N16 Si48 -","8","1","","Weisheim, Eugen; Weigel, Simon; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Trifunctional organometallic frameworks and cages based on all-cis-1,3,5-triethynyl-1,3,5-trisilacyclohexanes","Chemical Communications","2019","","","","","10.1039/C9CC02315A","","x-ray","0.71073","MoKα","","0.024","0.0212","","","0.0436","0.0443","","","","","","1.184","","","","has coordinates","214478","2020-10-21","18:00:00",""
"7123289","10.9442","0.0018","11.887","0.002","27.698","0.005","90","","90","","90","","3603.3","1.1","173","2","173.35","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cu2 N5 S3 -","- C15 H13 Cu2 N5 S3 -","- C120 H104 Cu16 N40 S24 -","8","1","","Nagarkar, Sanjog S.; Kurasho, Haruna; Duong, Nghia Tuan Tuan; Nishiyama, Yusuke; Kitagawa, Susumu; Horike, Satoshi","Crystal Melting and Glass Formation in Copper Thiocyanate based Coordination Polymers","Chemical Communications","2019","","","","","10.1039/C9CC02172H","","","0.71075","MoKα","","0.0797","0.067","","","0.1555","0.1644","","","","","","1.05","","","","has coordinates","214589","2020-10-21","18:00:00",""
"7123364","10.49949","0.00019","15.8323","0.0003","35.2366","0.0006","90","","90","","90","","5857.42","0.18","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H33 B F4 N O4 P -","- C30 H31 B F4 N O4 P -","- C240 H248 B8 F32 N8 O32 P8 -","8","1","","Matsuya, Yuji; Kohyama, Aki; Koresawa, Eri; Tsuge, Kiyoshi","Facile o-Quinodimethane Formation from Benzocyclobutenes Triggered by Staudinger Reaction at Ambient Temperature","Chemical Communications","2019","","","","","10.1039/C9CC01679A","","","1.54187","CuKα","","0.097","0.0687","","","0.1841","0.2004","","","","","","1.041","","","","has coordinates","214859","2020-10-21","18:00:00",""
"7123417","16.488","0.002","18.79","0.003","27.26","0.006","90","","90","","90","","8445","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","RJW_NiSiOx","IPrNiCl(SiMe2(SiMe(SiMe3)2))","","- C36 H63 Cl N2 Ni Si4 -","- C36 H63 Cl N2 Ni Si4 -","- C288 H504 Cl8 N16 Ni8 Si32 -","8","1","","Witzke, Ryan J.; Tilley, T. Don","A two-coordinate Ni(I) silyl complex: CO2 insertion and oxidatively-induced silyl migrations","Chemical Communications","2019","","","","","10.1039/C9CC03128F","","","0.71073","MoKα","","0.2029","0.0831","","","0.1933","0.2541","","","","","","1.007","","","","has coordinates","214995","2020-10-21","18:00:00",""
"7123479","20.6179","0.0009","16.6222","0.0007","21.6049","0.0009","90","","90","","90","","7404.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H70 Cl12 N6 O6 -","- C72 H70 Cl12 N6 O6 -","- C288 H280 Cl48 N24 O24 -","4","0.5","","Lopez-Leonardo, Carmen; Martinez-Cuezva, Alberto; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Homo and heteroassembly of amide-based [2]rotaxanes using α,α’-dimethyl-p-xylylenediamines","Chemical Communications","2019","","","","","10.1039/C9CC02701G","","","0.71073","MoKα","","0.0546","0.0422","","","0.0952","0.1019","","","","","","1.031","","","","has coordinates","215224","2020-10-21","18:00:00",""
"7123497","21.294","0.002","15.9689","0.0016","21.9021","0.0019","90","","90","","90","","7447.6","1.2","296","2","296","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C26 H54 Ag F6 N O4 P2 Pt S2 -","- C26 H54 Ag F6 N O4 P2 Pt S2 -","- C208 H432 Ag8 F48 N8 O32 P16 Pt8 S16 -","8","1","","Hidalgo, Nereida; Maya, Celia; Campos, Jesús","Cooperative Activation of X-H (X = H, C, O, N) Bonds by a Pt(0)/Ag(I) Metal-Only Lewis Pair","Chemical Communications","2019","","","","","10.1039/C9CC03008E","","","0.71073","MoKα","","0.068","0.046","","","0.158","0.1741","","","","","","1.265","","","","has coordinates,has disorder","215289","2020-10-21","18:00:00",""
"7123565","9.3487","0.0004","14.9382","0.0007","31.3522","0.0011","90","","90","","90","","4378.4","0.3","293.27","0.13","293.27","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H15 Br2 N O -","- C28 H15 Br2 N O -","- C224 H120 Br16 N8 O8 -","8","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0879","0.0746","","","0.2021","0.2194","","","","","","1.041","","","","has coordinates","215592","2020-10-21","18:00:00",""
"7123566","4.9223","0.0004","15.5634","0.0007","41.9514","0.0018","90","","90","","90","","3213.8","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong","Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues","Chemical Communications","2019","","","","","10.1039/C9CC03400E","","x-ray","1.54184","CuKα","","0.0692","0.0603","","","0.1653","0.1742","","","","","","1.065","","","","has coordinates,has disorder","215592","2020-10-21","18:00:00",""
"7123569","16.2879","0.001","13.096","0.0006","29.2536","0.0017","90","","90","","90","","6240","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O3 -","- C38 H34 N2 O3 -","- C304 H272 N16 O24 -","8","1","","Li, Jian; Yuan, Hongdong; Tang, Chongrong; Su, Shikuan; Cui, Lei; Jia, Xueshun; Li, Chunju","Bicyclization reaction with two molecular allenyl ketones and isocyanides: a synthesis of lactone-containing azaspirocycle derivative","Chemical Communications","2019","","","","","10.1039/C9CC02785H","","","1.34138","GaKα","","0.0635","0.0464","","","0.1299","0.1459","","","","","","1.048","","","","has coordinates","215609","2020-10-21","18:00:00",""
"7123599","13.8321","0.0007","8.4887","0.0003","30.2097","0.0013","90","","90","","90","","3547.1","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C168 H176 O40 -","8","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0572","0.04","","","0.0906","0.099","","","","","","1.031","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123600","13.7677","0.0008","10.5053","0.0009","25.8983","0.0016","90","","90","","90","","3745.8","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Br O4 -","- C21 H23 Br O4 -","- C168 H184 Br8 O32 -","8","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0498","0.0366","","","0.0796","0.0843","","","","","","1.076","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123625","7.1186","0.0006","19.2065","0.0017","21.5744","0.0019","90","","90","","90","","2949.7","0.4","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Cl N O3 -","- C19 H12 Cl N O3 -","- C152 H96 Cl8 N8 O24 -","8","1","","Yugandar , Somaraju; Nakamura, Hiroyuki","Rhodium(III)-Catalysed Carboxylate-Directed C-H Functionalizations of Isoxazoles with Alkynes","Chemical Communications","2019","","","","","10.1039/C9CC03283E","","","0.71073","MoKα","","0.0342","0.0294","","","0.0797","0.0829","","","","","","1.031","","","","has coordinates","215793","2020-10-21","18:00:00",""
"7123637","8.8021","0.0006","15.5028","0.001","27.4387","0.0017","90","","90","","90","","3744.2","0.4","101","2","101","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 B N Si2 -","- C18 H26 B N Si2 -","- C144 H208 B8 N8 Si16 -","8","1","","Keck, Constanze; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Photo electron transfer induced desilylation of N,N-bis(trimethylsilyl)aminodibenzoborole to aminodibenzoborole","Chemical Communications","2019","","","","","10.1039/C9CC03415C","","","0.71073","MoKα","","0.0598","0.0386","","","0.0862","0.0958","","","","","","1.045","","","","has coordinates","215850","2020-10-21","18:00:00",""
"7123666","7.3989","0.0003","5.9654","0.0004","31.516","0.0016","90","","90","","90","","1391.03","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","0.5","","Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D.","Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere","Chemical Communications","2019","","","","","10.1039/C9CC03339D","","","0.71073","MoKα","","0.0707","0.0519","","","0.1226","0.1347","","","","","","1.148","","","","has coordinates","216029","2020-10-21","18:00:00",""
"7123683","11.1989","0.0004","7.7847","0.0003","31.7495","0.001","90","","90","","90","","2767.92","0.17","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Br O -","- C16 H17 Br O -","- C128 H136 Br8 O8 -","8","1","","Shi, Min; Zang, Wenqing; Wei, Yin","Gold(I)-Catalyzed Cascade Cyclization of O-Tethered 1,7-Enynes Bearing a Cyclopropane Moiety: Construction of multi-Substituted Furans","Chemical Communications","2019","","","","","10.1039/C9CC03735G","","","0.71073","MoKα","","0.0502","0.0354","","","0.0836","0.0901","","","","","","1.052","","","","has coordinates","216078","2020-10-21","18:00:00",""
"7123706","14.2389","0.0002","7.8105","0.0002","38.0164","0.0007","90","","90","","90","","4227.92","0.15","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H27 I N2 Ru -","- C22 H27 I N2 Ru -","- C176 H216 I8 N16 Ru8 -","8","1","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.0935","0.0953","","","","","","1.065","","","","has coordinates","216480","2020-10-21","18:00:00",""
"7123809","19.207","0.0002","18.317","0.0002","27.265","0.0005","90","","90","","90","","9592.2","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H75 N O4 Ti -","- C51 H75 N O4 Ti -","- C408 H600 N8 O32 Ti8 -","8","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Living polymerization and block copolymerization of alpha-olefins by an amine bis(phenolate) titanium catalyst","Chemical Communications","2001","20","","2120","2121","10.1039/B105492A","","","0.7107","MoKα","","0.1107","0.0546","","","0.1039","0.1284","","","","","","1.052","","","","has coordinates,has disorder","216924","2020-10-21","18:00:00",""
"7123902","18.1955","0.0006","13.3383","0.0005","18.5737","0.0007","90","","90","","90","","4507.8","0.3","100.15","","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Cl O5 P Si2 W -","- C15 H24 Cl O5 P Si2 W -","- C120 H192 Cl8 O40 P8 Si16 W8 -","8","1","","Khan, Arif; Junker, Philip; Schnakenburg, Gregor; Espinosa, Arturo; Streubel , R.","Competitive or sequential reaction of an electrophilic terminal phosphinidene metal(0) complex with allyl halides? [2+1]-Cycloaddition vs C-X bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC05328J","","","0.71073","MoKα","","0.0239","0.0217","","","0.0484","0.0492","","","","","","1.171","","","","has coordinates","217244","2020-10-21","18:00:00",""
"7123903","18.0162","0.0004","13.6552","0.0003","18.5562","0.0006","90","","90","","90","","4565.1","0.2","123.15","","123.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Br O5 P Si2 W -","- C15 H24 Br O5 P Si2 W -","- C120 H192 Br8 O40 P8 Si16 W8 -","8","1","","Khan, Arif; Junker, Philip; Schnakenburg, Gregor; Espinosa, Arturo; Streubel , R.","Competitive or sequential reaction of an electrophilic terminal phosphinidene metal(0) complex with allyl halides? [2+1]-Cycloaddition vs C-X bond insertion","Chemical Communications","2019","","","","","10.1039/C9CC05328J","","","0.71073","MoKα","","0.0633","0.0393","","","0.0898","0.0973","","","","","","0.956","","","","has coordinates","217244","2020-10-21","18:00:00",""
"7123923","17.4558","0.0005","8.0494","0.0002","21.4892","0.0005","90","","90","","90","","3019.42","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 F I3 N2 Pb -","- C7 H14 F I3 N2 Pb -","- C56 H112 F8 I24 N16 Pb8 -","8","1","","Liu, Yu-Ling; Lu, Si-Qi; Tang, Yuan-Yuan; Chen, Xiao-Gang; Gao, Ji-Xing; Li, Hao-Jie; Xiong, Ren-Gen","Fluorination observed Tc increase of 110 K is challenging hydrogen-deuterium isotope effect","Chemical Communications","2019","","","","","10.1039/C9CC04658E","","","0.71073","MoKα","","0.0391","0.0286","","","0.0624","0.0647","","","","","","1.069","","","","has coordinates","217290","2020-10-21","18:00:00",""
"7123963","17.555","0.007","19.539","0.007","22.727","0.009","90","","90","","90","","7796","5","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,20-dithiahexaphyrin","","- C52 H34 N6 S2 -","- C52 H34 N6 S2 -","- C416 H272 N48 S16 -","8","1","","Umetani, Masataka; Kim, Jinseok; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro","5,20-Diheterohexaphyrins: metal-template-free synthesis and aromaticity switching","Chemical Communications","2019","","","","","10.1039/C9CC05580K","","","1.54187","CuKα","","0.1422","0.0642","","","0.1845","0.3486","","","","","","1.095","","","","has coordinates","217468","2020-10-21","18:00:00",""
"7123973","12.2898","0.0013","11.4074","0.0013","22.636","0.003","90","","90","","90","","3173.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","","Fang, Qing-Yun; Jin, Hai-shan; Wang, Ru-Bing; Zhao, Li-Ming","DABCO-Mediated [3 + 3] Cycloaddition of Azomethine Imines with in Situ Generated Nitrile Oxides from Hydroximoyl Chlorides","Chemical Communications","2019","","","","","10.1039/C9CC05367K","","x-ray","0.71073","MoKα","","0.1541","0.0578","","","0.0742","0.0984","","","","","","0.924","","","","has coordinates","217490","2020-10-21","18:00:00",""
"7123993","43.9057","0.0011","11.3191","0.0004","47.4794","0.0009","90","","90","","90","","23596","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H68 Au F6 N5 O2.5 P -","- C52 H68 Au F6 N5 O2.5 P -","- C832 H1088 Au16 F96 N80 O40 P16 -","16","2","","Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan","Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation","Chemical Communications","2019","","","","","10.1039/C9CC05635A","","","1.54184","CuKα","","0.1471","0.0887","","","0.1976","0.2398","","","","","","1.02","","","","has coordinates","217526","2020-10-21","18:00:00",""
"7124068","15.7517","0.0007","9.3641","0.0003","17.765","0.0007","90","","90","","90","","2620.35","0.18","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N O S2 -","- C16 H9 N O S2 -","- C128 H72 N8 O8 S16 -","8","1","","Song, Jianxin; Wu, Tongjing; Kim, Taeyeon; Yin, Bangshao; Wang, Kaisheng; Xu, Ling; Zhou, Mingbo; Kim, Dongho","Carbazole-Containing Porphyrinoid and its Oligomers","Chemical Communications","2019","","","","","10.1039/C9CC06114B","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.085","0.0933","","","","","","1.023","","","","has coordinates","217795","2020-10-21","18:00:00",""
"7124120","15.3569","0.00019","14.18712","0.00018","16.9515","0.0002","90","","90","","90","","3693.23","0.08","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N2 O9 S Yb -","- C14 H17 N2 O9 S Yb -","- C112 H136 N16 O72 S8 Yb8 -","8","1","","Burnett, David L.; Oozeerally, Ryan; Pertiwi, Ralentri; Chamberlain, Thomas W.; Cherkasov, Nikolay; Clarkson, Guy J.; Krisnandi, Yuni K.; Degirmenci, Volkan; Walton, Richard I.","A hydrothermally stable ytterbium metal‒organic framework as a bifunctional solid-acid catalyst for glucose conversion","Chemical Communications","2019","","","","","10.1039/C9CC05364F","","x-ray","0.71073","MoKα","","0.0406","0.029","","","0.0581","0.0618","","","","","","1.139","","","","has coordinates","218023","2020-10-21","18:00:00",""
"7124125","11.7519","0.0021","16.2971","0.003","19.646","0.0034","90","","90","","90","","3762.6","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0362","0.0304","","","0.0748","0.0793","","","","","","1.079","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124126","11.7402","0.0016","16.3576","0.0023","19.6405","0.0027","90","","90","","90","","3771.8","0.9","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0449","0.0366","","","0.092","0.0996","","","","","","1.096","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124127","11.7459","0.0017","16.5099","0.0024","19.6217","0.0029","90","","90","","90","","3805.1","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0567","0.0445","","","0.1039","0.115","","","","","","1.108","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124128","11.7522","0.0019","16.5678","0.0027","19.6125","0.0031","90","","90","","90","","3818.7","1.1","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0592","0.0456","","","0.0984","0.1095","","","","","","1.116","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124129","11.7438","0.0017","16.4767","0.0024","19.6295","0.0029","90","","90","","90","","3798.3","1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0544","0.0431","","","0.1019","0.1127","","","","","","1.086","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124130","11.7441","0.0032","16.3205","0.0045","19.6453","0.0054","90","","90","","90","","3765.4","1.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.04","0.0334","","","0.0838","0.0896","","","","","","1.094","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124131","11.7422","0.0017","16.4398","0.0024","19.6352","0.0028","90","","90","","90","","3790.4","0.9","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0516","0.0417","","","0.1007","0.1104","","","","","","1.08","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124132","11.75","0.0018","16.5402","0.0025","19.617","0.003","90","","90","","90","","3812.5","1","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0585","0.0449","","","0.1004","0.1129","","","","","","1.096","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124135","11.7573","0.0012","16.4228","0.0017","19.6413","0.0021","90","","90","","90","","3792.5","0.7","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0442","0.0406","","","0.1061","0.1094","","","","","","1.063","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124142","11.7508","0.0017","16.5636","0.0024","19.6111","0.0028","90","","90","","90","","3817","1","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","","Lama, Prem; Hazra, Arpan; Barbour, Len","Accordion and layer-sliding motion to produce anomalous thermal expansion behaviour in 2D-coordination polymers","Chemical Communications","2019","","","","","10.1039/C9CC06634A","","","0.71073","MoKα","","0.0599","0.0454","","","0.1018","0.1148","","","","","","1.134","","","","has coordinates","218104","2020-10-21","18:00:00",""
"7124170","9.7588","0.001","18.6613","0.0019","24.353","0.002","90","","90","","90","","4435","0.7","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H72 B2 N4 O8 P2 -","- C36 H72 B2 N4 O8 P2 -","- C144 H288 B8 N16 O32 P8 -","4","0.5","","Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.","1,1-Phosphinoboration of Diazomethanes","Chemical Communications","2019","","","","","10.1039/C9CC06914C","","","0.71073","MoKα","","0.1017","0.0493","","","0.0918","0.1092","","","","","","1.002","","","","has coordinates","218322","2020-10-21","18:00:00",""
"7124177","12.726","0.003","16.762","0.004","17.775","0.004","90","","90","","90","","3791.6","1.5","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H16 N2 O2 -","- C26 H16 N2 O2 -","- C208 H128 N16 O16 -","8","1","","Zhang, Liang; Li, Meng; Hu, Taiping; Wang, Yin-Feng; Shen, Yi-Fan; Yi, Yuanping; Lu, Hai-Yan; Gao, Qingyu; Chen, Chuan-Feng","Phthalimide-based “D-N-A” emitters with thermally activated delayed fluorescence and isomer-dependent room-temperature phosphorescence properties","Chemical Communications","2019","","","","","10.1039/C9CC06384F","","","0.71073","MoKα","","0.0932","0.0869","","","0.142","0.1445","","","","","","1.348","","","","has coordinates","218324","2020-10-21","18:00:00",""
"7124179","16.0116","0.0004","14.976","0.0003","20.0132","0.0005","90","","90","","90","","4798.96","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H27 Br2 N3 Zn -","- C22 H27 Br2 N3 Zn -","- C176 H216 Br16 N24 Zn8 -","8","1","","Kiernicki, John J.; Norwine, Emily E.; Zeller, Matthias; Szymczak, Nathaniel K.","Tetrahedral iron featuring an appended Lewis acid: distinct pathways for the reduction of hydroxylamine and hydrazine","Chemical Communications","2019","","","","","10.1039/C9CC05720J","","","1.54178","CuKα","","0.0349","0.0306","","","0.0792","0.0834","","","","","","1.064","","","","has coordinates","218402","2020-10-21","18:00:00",""
"7124199","10.0847","0.0014","15.143","0.003","31.376","0.008","90","","90","","90","","4791.5","1.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H36 B N O5 -","- C23 H36 B N O5 -","- C184 H288 B8 N8 O40 -","8","1","","Feng, Rui; Yang, Wenbang; Wang, Wenqing; Zhao, Yue; Tan, Gengwen; Zhang, Li; Wang, Xinping","Isolable diboryl radicals acting as highly efficient reaction intermediates under mild conditions","Chemical Communications","2019","","","","","10.1039/C9CC06514H","","","1.34139","GaKα","","0.121","0.0772","","","0.145","0.168","","","","","","1.121","","","","has coordinates,has disorder","218505","2020-10-21","18:00:00",""
"7124211","15.786","0.003","22.886","0.004","40.989","0.007","90","","90","","90","","14808","5","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35.25 H43.5 Cl0.5 Cu N6 O2 S -","- C35.25 H43.5 Cl0.5 Cu N6 O2 S -","- C564 H696 Cl8 Cu16 N96 O32 S16 -","16","2","","Trose, Michael; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Cu‒NHC azide complex: synthesis and reactivity","Chemical Communications","2019","","","","","10.1039/C9CC04844H","","","0.71075","MoKα","","0.238","0.0825","","","0.1906","0.2763","","","","","","1.007","","","","has coordinates","218557","2020-10-21","18:00:00",""
"7124242","15.7709","0.0007","22.3276","0.0012","24.5774","0.0013","90","","90","","90","","8654.4","0.8","100","2","99.99","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H44 Bi2 I10 N4 O2 -","- C16 H44 Bi2 I10 N4 O2 -","- C128 H352 Bi16 I80 N32 O16 -","8","1","","Kou, Bo; Zhang, WeiChuan; Ji, Chengmin; Wu, Zhenyue; Zhang, Shuhua; Liu, Xitao; Luo, Junhua","Tunable Optical Absorption in Lead-Free Perovskite-Like Hybrids by Iodide Management","Chemical Communications","2019","","","","","10.1039/C9CC05365D","","","0.71073","MoKα","","0.0339","0.0291","","","0.0671","0.0693","","","","","","1.086","","","","has coordinates","218885","2020-10-21","18:00:00",""
"7124306","30.109","0.006","29.594","0.006","33.02","0.007","90","","90","","90","","29422","10","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C230 H409 Cl2 N27 O72 V24 Yb2 -","- C198 H329 Cl2 N27 O64 V24 Yb2 -","- C792 H1316 Cl8 N108 O256 V96 Yb8 -","4","0.5","","Pütt, Ricarda; Qiu, Xinkai; Kozłowski, Piotr; Gildenast, Hans; Linnenberg, Oliver; Zahn, Stefan; Chiechi, Ryan; Monakhov, Kirill","Self-assembled monolayers of polyoxovanadates with phthalocyaninato lanthanide moieties on gold surfaces","Chemical Communications","2019","","","","","10.1039/C9CC06852J","","","0.71073","MoKα","","0.1053","0.0671","","","0.1923","0.2284","","","","","","0.744","","","","has coordinates,has disorder","219337","2020-10-21","18:00:00",""
"7124318","11.9956","0.0005","11.799","0.0004","13.2171","0.0005","90","","90","","90","","1870.7","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H12 Be N6 S2 -","- C2 H12 Be N6 S2 -","- C16 H96 Be8 N48 S16 -","8","1","","Müller, Matthias; Buchner, Magnus Richard","Preparation and Crystal Structures of the Beryllium Ammines [Be(NH3)4]X2 (X = Br, I, CN, SCN, N3) and Be(NH3)2X’2 (X’ = Cl, Br, I).","Chemical Communications","2019","","","","","10.1039/C9CC07712J","","","1.54178","CuKα","","0.0244","0.0204","","","0.0541","0.0556","","","","","","0.992","","","","has coordinates","219370","2020-10-21","18:00:00",""
"7124355","11.0904","0.0007","18.5155","0.0015","19.5419","0.0016","90","","90","","90","","4012.8","0.5","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C192 H160 Cl8 N8 O16 -","8","1","","Zhang, Kuan; Han, Hua-Bin; Wang, Lele; Zhang, Ziying; Wang, Qi-Lin; Zhang, Wenjing; Bu, Zhanwei","An unexpected cascade reaction of 3-hydroxyoxindoles with coumarin-3-carboxylates to construct 2,3-dihydrobenzofuran spirooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC07114H","","","0.71073","MoKα","","0.1024","0.0503","","","0.1493","0.1869","","","","","","1.061","","","","has coordinates","219441","2020-10-21","18:00:00",""
"7124397","5.7226","0.0001","16.3731","0.0003","32.1528","0.0007","90","","90","","90","","3012.61","0.1","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Topić, Filip; Lisac, Katarina; Arhangelskis, Mihails; Rissanen, Kari; Cinčić, Dominik; Friščić, Tomislav","Cocrystal trimorphism as a consequence of orthogonality of halogen- and hydrogen-bonds synthons","Chemical Communications","2019","","","","","10.1039/C9CC06735C","","","0.71073","MoKα","","0.0448","0.0419","","","0.1058","0.1069","","","","","","1.306","","","","has coordinates","220516","2020-10-21","18:00:00",""
"7124421","9.1429","0.0005","8.1178","0.0005","31.1553","0.0018","90","","90","","90","","2312.4","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Te -","- C13 H14 Te -","- C104 H112 Te8 -","8","1","","Tavares Luppi, Bruno; McDonald, Robert; Ferguson, Michael J.; Sang, Lingzi; Rivard, Eric","Rapid Access to (Cycloalkyl)tellurophenes Oligomer Mixtures and the First Poly(3-aryltellurophene)","Chemical Communications","2019","","","","","10.1039/C9CC07512G","","","0.71073","MoKα","","0.0415","0.0319","","","0.0781","0.084","","","","","","1.059","","","","has coordinates,has disorder","222240","2020-10-21","18:00:00",""
"7124454","9.5967","0.0008","14.6083","0.0012","24.1283","0.0019","90","","90","","90","","3382.6","0.5","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C128 H128 N16 O40 S8 -","8","1","","Cheng, Bin; Li, Yuntong; Wang, Taimin; Zhang, Xinping; Li, Hui; Li, Yun; Zhai, HB","Pyridinium 1,4-Zwitterionic Thiolates as a useful Class of Sulfur-containing Synthons: Application to the Synthesis of 2,5-Dihydro-1,4,5-thiadiazepines","Chemical Communications","2019","","","","","10.1039/C9CC08326J","","","0.71073","MoKα","","0.043","0.0346","","","0.0895","0.096","","","","","","1.028","","","","has coordinates","223390","2020-10-21","18:00:00",""
"7124464","10.58","0.004","23.646","0.009","30.45","0.011","90","","90","","90","","7618","5","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H21 N O -","- C25 H21 N O -","- C400 H336 N16 O16 -","16","2","","xu, kunhua; chen, wenming; lin, jin; chen, guifang; wang, biao; Xu, Tian","Facile Synthesis of 9H-Pyrrolo[1,2-a]indoles Via Brønsted Acid Catalyzed Cascade Reaction","Chemical Communications","2019","","","","","10.1039/C9CC07228D","","","0.71073","MoKα","","0.1143","0.0516","","","0.1078","0.1336","","","","","","1.012","","","","has coordinates","227485","2020-10-21","18:00:00",""
"7124587","11.0573","0.0012","25.485","0.003","28.816","0.003","90","","90","","90","","8120.2","1.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C54 H40 N2 -","- C54 H40 N2 -","- C432 H320 N16 -","8","1","","Dai, Shengyu; Sui, Xuelin; Chen, Changle","Synthesis of high molecular weight polyethylene using iminopyridyl nickel catalysts.","Chemical communications (Cambridge, England)","2016","52","58","9113","9116","10.1039/c6cc00457a","","","0.71073","MoKα","","0.1135","0.0493","","","0.1173","0.1457","","","","","","1.02","","","","has coordinates","233979","2020-10-21","18:00:00",""
"7124599","19.8011","0.0002","14.62079","0.00012","21.27781","0.00015","90","","90","","90","","6160.09","0.09","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0723","0.0426","","","0.0885","0.1041","","","","","","1.168","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124600","19.9769","0.0002","14.811","0.00016","21.41308","0.00019","90","","90","","90","","6335.66","0.11","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0596","0.0369","","","0.0974","0.1108","","","","","","1.106","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124601","20.0503","0.0002","14.9396","0.0002","21.463","0.0002","90","","90","","90","","6429.1","0.12","250","2","250","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0739","0.0412","","","0.0997","0.1179","","","","","","1.099","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124602","20.1162","0.0002","15.14532","0.00019","21.5437","0.0002","90","","90","","90","","6563.64","0.12","300","2","300","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.069","0.0409","","","0.1042","0.1222","","","","","","1.094","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124603","19.85308","0.00016","14.68673","0.0001","21.32145","0.00013","90","","90","","90","","6216.84","0.08","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Sm(hfac)3(boaDTDA)]n","","","- C23 H7 F18 N3 O7 S2 Sm -","- C23 H7 F18 N3 O7 S2 Sm -","- C184 H56 F144 N24 O56 S16 Sm8 -","8","1","","Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.","Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.","Chemical communications (Cambridge, England)","2016","52","31","5414","5417","10.1039/c6cc01548d","","","0.71073","MoKα","","0.0471","0.0268","","","0.0557","0.0626","","","","","","1.084","","","","has coordinates,has disorder","233994","2020-10-21","18:00:00",""
"7124625","19.3473","0.0005","22.4336","0.0007","25.5172","0.0009","90","","90","","90","","11075.2","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Nb(BDI)(NPhtBu)(NB(C6F5)3)].(toluene)0.5","","","- C121 H118 B2 F30 N8 Nb2 -","- C121 H118 B2 F30 N8 Nb2 -","- C484 H472 B8 F120 N32 Nb8 -","4","0.5","","Camp, Clément; Grant, Lauren N.; Bergman, Robert G.; Arnold, John","Photo-activation of d(0) niobium imido azides: en route to nitrido complexes.","Chemical communications (Cambridge, England)","2016","52","32","5538","5541","10.1039/c6cc02081j","","","0.71073","MoKα","","0.053","0.036","","","0.0801","0.0905","","","","","","1.059","","","","has coordinates,has disorder","288501","2023-12-22","13:20:51",""
"7124673","32.7165","0.0018","16.1948","0.0008","39.103","0.002","90","","90","","90","","20718.2","1.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","iPrCS","pentaisopropylcyanostar","","- C105 H105 N5 -","- C105 H105 N5 -","- C840 H840 N40 -","8","1","","Qiao, Bo; Anderson, Joseph R.; Pink, Maren; Flood, Amar H.","Size-matched recognition of large anions by cyanostar macrocycles is saved when solvent-bias is avoided.","Chemical communications (Cambridge, England)","2016","52","56","8683","8686","10.1039/c6cc03463b","","","0.41328","","","0.2476","0.1623","","","0.4146","0.4414","","","","","","2.558","","","","has coordinates,has disorder","234100","2020-10-21","18:00:00",""
"7124701","17.6793","0.0006","16.195","0.0006","23.2286","0.0008","90","","90","","90","","6650.7","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[MeSiHPH2][CoBr4]","[MeSiHPH2][CoBr4]","","- C25 H42 Br4 Co P2 Si -","- C25 H42 Br4 Co P2 Si -","- C200 H336 Br32 Co8 P16 Si8 -","8","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.1037","0.0411","","","0.07","0.0851","","","","","","1.019","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124704","12.3228","0.0007","13.1299","0.0006","26.5742","0.0015","90","","90","","90","","4299.6","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Et3NH]2[CoBr4]","[Et3NH]2[CoBr4]","","- C12 H32 Br4 Co N2 -","- C12 H32 Br4 Co N2 -","- C96 H256 Br32 Co8 N16 -","8","1","","Kim, Jin; Kim, Yujeong; Sinha, Indranil; Park, Koeun; Kim, Sun Hee; Lee, Yunho","The unusual hydridicity of a cobalt bound Si-H moiety.","Chemical communications (Cambridge, England)","2016","52","60","9367","9370","10.1039/c6cc03983a","","","0.71073","MoKα","","0.0692","0.0454","","","0.0966","0.1077","","","","","","1.051","","","","has coordinates","234143","2020-10-21","18:00:00",""
"7124913","18.699","0.004","10.648","0.002","37.755","0.008","90","","90","","90","","7517","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H53 N Si Zn -","- C44 H53 N Si Zn -","- C352 H424 N8 Si8 Zn8 -","8","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.7109","Synchrotron","","0.102","0.0711","","","0.1865","0.2061","","","","","","1.06","","","","has coordinates,has disorder","234338","2020-10-21","18:00:00",""
"7124938","12.2175","0.0002","15.8782","0.0003","22.0697","0.0004","90","","90","","90","","4281.34","0.13","291.48","0.1","291.48","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 F2 N2 O3 -","- C24 H22 F2 N2 O3 -","- C192 H176 F16 N16 O24 -","8","1","","Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Hu, Jing-Yuan; Yang, Yu-Chen; Liang, Yong-Min","Copper-catalyzed difluoromethylation of propargylamide-substituted indoles: synthesis of mono- and bis-difluoromethylated indoloazepinone derivatives.","Chemical communications (Cambridge, England)","2016","52","68","10396","10399","10.1039/c6cc05745d","","x-ray","1.54184","CuKα","","0.0618","0.0485","","","0.1263","0.1408","","","","","","1.026","","","","has coordinates","234365","2020-10-21","18:00:00",""
"7124988","15.7028","0.0003","12.1884","0.0003","27.7307","0.0009","90","","90","","90","","5307.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N4 O4 Pd2 -","- C28 H24 N4 O4 Pd2 -","- C224 H192 N32 O32 Pd16 -","8","1","","Monas, Andrea; Užarević, Krunoslav; Halasz, Ivan; Kulcsár, Marina Juribašić; Ćurić, Manda","Vapour-induced solid-state C-H bond activation for the clean synthesis of an organopalladium biothiol sensor.","Chemical communications (Cambridge, England)","2016","52","88","12960","12963","10.1039/c6cc06062e","","","0.71073","MoKα","","","0.0375","","","","0.0887","","","","","","1.018","","","","has coordinates","234410","2020-10-21","18:00:00",""
"7125037","16.6675","0.0005","11.1422","0.0003","38.2172","0.0012","90","","90","","90","","7097.4","0.4","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cl4 F6 N5 O2 P Ru -","- C31 H30 Cl4 F6 N5 O2 P Ru -","- C248 H240 Cl32 F48 N40 O16 P8 Ru8 -","8","1","","Ng, Chee Koon; Wu, Jie; Hor, T. S. Andy; Luo, He-Kuan","A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.","Chemical communications (Cambridge, England)","2016","52","79","11842","11845","10.1039/c6cc06278d","","","0.71073","MoKα","","0.0973","0.063","","","0.1284","0.1407","","","","","","1.096","","","","has coordinates,has disorder","234450","2020-10-21","18:00:00",""
"7125118","15.099","0.0003","18.8792","0.0005","23.143","0.0007","90","","90","","90","","6597.1","0.3","150","2","149.99","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H10 B F21 O S -","- C36 H10 B F21 O S -","- C288 H80 B8 F168 O8 S8 -","8","1","","Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","S(vi) Lewis acids: fluorosulfoxonium cations.","Chemical communications (Cambridge, England)","2016","52","84","12418","12421","10.1039/c6cc06929k","","","0.71073","MoKα","","0.0698","0.0406","","","0.0832","0.0966","","","","","","1.0348","","","","has coordinates,has disorder","234530","2020-10-21","18:00:00",""
"7125174","9.1542","0.0014","16.965","0.0015","10.682","0.002","90","","90","","90","","1658.9","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 P2 S2 -","- C15 H18 P2 S2 -","- C60 H72 P8 S8 -","4","0.5","","Arisawa, Mieko; Yamada, Tomoki; Tanii, Saori; Kawada, Yuta; Hashimoto, Hisako; Yamaguchi, Masahiko","Rhodium-catalyzed P-P bond exchange reaction of diphosphine disulfides.","Chemical communications (Cambridge, England)","2016","52","93","13580","13583","10.1039/c6cc07302f","","","0.71075","MoKα","","0.2095","0.1403","","","0.3766","0.4216","","","","","","1.31","","","","has coordinates,has disorder","234572","2020-10-21","18:00:00",""
"7125200","14.6745","0.0007","24.0048","0.0011","32.5952","0.0014","90","","90","","90","","11481.9","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H34 Cl2 F3 Li O7 S Si4 -","- C14 H34 Cl2 F3 Li O7 S Si4 -","- C224 H544 Cl32 F48 Li16 O112 S16 Si64 -","16","2","","Reuter, Kirsten; Thiele, Günther; Hafner, Thomas; Uhlig, Frank; von Hänisch, Carsten","Synthesis and coordination ability of a partially silicon based crown ether.","Chemical communications (Cambridge, England)","2016","52","90","13265","13268","10.1039/c6cc07520g","","","0.71073","MoKα","","0.0763","0.0534","","","0.1174","0.1273","","","","","","1.04","","","","has coordinates","234595","2020-10-21","18:00:00",""
"7125218","7.2149","0.0004","12.4451","0.0007","15.6775","0.0008","90","","90","","90","","1407.69","0.13","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N2 O3 -","- C7 H7 N2 O3 -","- C56 H56 N16 O24 -","8","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.0683","0.0402","","","0.0983","0.1143","","","","","","1.018","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125249","7.1952","0.0005","19.7441","0.0016","20.4254","0.0014","90","","90","","90","","2901.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZJU-198","","- C12 H7 N O4 Zn -","- C12 H7 N O4 Zn -","- C96 H56 N8 O32 Zn8 -","8","1","","Zhang, Ling; Jiang, Ke; Jiang, Mengdie; Yue, Dan; Wan, Yating; Xing, Huabin; Yang, Yu; Cui, Yuanjing; Chen, Banglin; Qian, Guodong","A highly stable amino-coordinated MOF for unprecedented block off N<sub>2</sub> adsorption and extraordinary CO<sub>2</sub>/N<sub>2</sub> separation.","Chemical communications (Cambridge, England)","2016","52","93","13568","13571","10.1039/c6cc07858c","","","0.71073","MoKα","","0.1194","0.0893","","","0.2027","0.2188","","","","","","1.037","","","","has coordinates","234626","2020-10-21","18:00:00",""
"7125254","22.1254","0.0011","16.4448","0.0009","28.2843","0.0015","90","","90","","90","","10291.2","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis(2-phenyl-1H-benzo[d]imidazole-κ^2^N,C)-{methyl 1-butyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxylate-κ^2^N,N'}iridium(III) hexafluorophosphate tris(dichloromethane) solvate","","- C47 H43 Cl6 F6 Ir N7 O2 P -","- C47 H43 Cl6 F6 Ir N7 O2 P -","- C376 H344 Cl48 F48 Ir8 N56 O16 P8 -","8","1","","Yellol, Jyoti; Pérez, Sergio A; Yellol, Gorakh; Zajac, Juraj; Donaire, Antonio; Vigueras, Gloria; Novohradsky, Vojtech; Janiak, Christoph; Brabec, Viktor; Ruiz, José","Highly potent extranuclear-targeted luminescent iridium(iii) antitumor agents containing benzimidazole-based ligands with a handle for functionalization.","Chemical communications (Cambridge, England)","2016","52","98","14165","14168","10.1039/c6cc07909a","","","0.71073","MoKα","","0.07","0.0621","","","0.1235","0.1272","","","","","","1.145","","","","has coordinates","234632","2020-10-21","18:00:00",""
"7125300","13.936","0.007","7.077","0.003","22.807","0.01","90","","90","","90","","2249.3","1.8","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 -","- C15 H10 N2 -","- C120 H80 N16 -","8","1","","Liao, Zhen-Yuan; Liao, Pen-Yuan; Chien, Tun-Cheng","CuI-Catalyzed intramolecular aminocyanation of terminal alkynes in N-(2-ethynylphenyl)-N-sulfonylcyanamides via Cu-vinylidene intermediates.","Chemical communications (Cambridge, England)","2016","52","100","14404","14407","10.1039/c6cc08601b","","","0.71073","MoKα","","0.1301","0.0582","","","0.1137","0.1461","","","","","","0.976","","","","has coordinates","234689","2020-10-21","18:00:00",""
"7125361","14.0809","0.001","12.1296","0.0005","21.4422","0.001","90","","90","","90","","3662.2","0.3","291.37","0.11","291.37","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N2 O6 S -","- C16 H20 N2 O6 S -","- C128 H160 N16 O48 S8 -","8","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","x-ray","0.71073","MoKα","","0.0628","0.0474","","","0.1241","0.1385","","","","","","1.0479","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125411","12.064","0.002","16.098","0.003","22.941","0.004","90","","90","","90","","4455.3","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Cl3 N2 O4 P Pt -","- C17 H22 Cl3 N2 O4 P Pt -","- C136 H176 Cl24 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.71073","MoKα","","0.0394","0.0249","","","0.0503","0.0553","","","","","","1.048","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125413","10.0411","0.0005","14.3523","0.0008","29.091","0.002","90","","90","","90","","4192.4","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl2 N2 O4 P Pt -","- C17 H23 Cl2 N2 O4 P Pt -","- C136 H184 Cl16 N16 O32 P8 Pt8 -","8","1","","Huang, Ke-Bin; Wang, Feng-Yang; Feng, Hai-Wen; Luo, Hejiang; Long, Yan; Zou, Taotao; Chan, Albert S. C.; Liu, Rong; Zou, Huahong; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Liang, Hong","An aminophosphonate ester ligand-containing platinum(ii) complex induces potent immunogenic cell death in vitro and elicits effective anti-tumour immune responses in vivo.","Chemical communications (Cambridge, England)","2019","55","87","13066","13069","10.1039/c9cc06563f","","","0.7107","MoKα","","0.0922","0.0787","","","0.182","0.1969","","","","","","1.049","","","","has coordinates","237859","2020-10-21","18:00:00",""
"7125429","12.6367","0.0003","14.4997","0.0003","15.6349","0.0004","90","","90","","90","","2864.76","0.12","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B F I N O4 -","- C13 H14 B F I N O4 -","- C104 H112 B8 F8 I8 N8 O32 -","8","1","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","x-ray","1.54184","CuKα","","0.0688","0.0631","","","0.1825","0.1931","","","","","","1.117","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125521","17.2584","0.0003","17.2192","0.0004","31.9869","0.0008","90","","90","","90","","9505.7","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 B2 N12 Se Ti -","- C18 H20 B2 N12 Se Ti -","- C288 H320 B32 N192 Se16 Ti16 -","16","2","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.1188","0.0524","","0.1396","0.1121","","","","1.006","1.09","1.09","","","","","has coordinates","243982","2020-10-21","18:00:00",""
"7125522","17.0677","0.0004","17.2213","0.0003","32.9623","0.0008","90","","90","","90","","9688.5","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 B2 N12 S2 Ti -","- C18 H20 B2 N12 S2 Ti -","- C288 H320 B32 N192 S32 Ti16 -","16","2","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.0668","0.044","","0.1237","0.1085","","","","1.067","1.096","1.096","","","","","has coordinates","243982","2020-10-21","18:00:00",""
"7125556","10.8897","0.0007","14.2214","0.0009","15.2607","0.001","90","","90","","90","","2363.4","0.3","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C112 H88 N24 O24 -","8","1","","Henderson, Alistair P.; Mutlu, Esra; Leclercq, Amélie; Bleasdale, Christine; Clegg, William; Henderson, Richard A.; Golding, Bernard T.","Trapping of benzene oxide-oxepin and methyl-substituted derivatives with 4-phenyl- and 4-pentafluorophenyl-1,2,4-triazoline-3,5-dione.","Chemical communications (Cambridge, England)","2002","","17","1956","1957","10.1039/b205079j","","","0.71073","MoKα","","0.0464","0.0383","","","0.0983","0.1059","","","","","","1.055","","","","has coordinates","244036","2020-10-21","18:00:00",""
"7125563","8.842","0.002","8.693","0.001","28.995","0.005","90","","90","","90","","2228.7","0.7","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 I4 N2 Pb S2 -","- C10 H16 I4 N2 Pb S2 -","- C40 H64 I16 N8 Pb4 S8 -","4","0.5","","Zhu, Xu-Hui; Mercier, Nicolas; Riou, Amédée; Blanchard, Philippe; Frère, Pierre","(C4H3SCH2NH3)2(CH3NH3)Pb2I7: non-centrosymmetrical crystal structure of a bilayer hybrid perovskite.","Chemical communications (Cambridge, England)","2002","","18","2160","2161","10.1039/b205543k","","x-ray","0.71073","MoKα","","","0.0283","","","","0.0841","","","","","","0.987","","","","has coordinates,has disorder","244040","2020-10-21","18:00:00",""
"7125572","9.504","0.0005","20.006","0.002","22.638","0.002","90","","90","","90","","4304.3","0.6","298.2","","298.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 Cr N2 Si2 -","- C18 H28 Cr N2 Si2 -","- C144 H224 Cr8 N16 Si16 -","8","1","","Gallant, Amanda J.; Smith, Kevin M.; Patrick, Brian O.","Cyclopentadienyl benzamidinato chromium complexes as models for alkyl halide activation by chromium reagents.","Chemical communications (Cambridge, England)","2002","","23","2914","2915","10.1039/b207710h","","","0.7107","MoKα","","0.0707","0.036","","0.0989","","0.044","","","0.865","","","0.865","","","","has coordinates","244055","2020-10-21","18:00:00",""
"7125592","20.2187","0.0004","21.9011","0.0004","38.781","0.003","90","","90","","90","","17172.7","1.4","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H100 Cu2 N8 O20 P2 S -","- C64 H100 Cu2 N8 O20 P2 S -","- C512 H800 Cu16 N64 O160 P16 S8 -","8","1","","Wenzel, Marco; Knapp, Quintin W.; Plieger, Paul G.","A bis-salicylaldoximato-copper(II) receptor for selective sulfate uptake.","Chemical communications (Cambridge, England)","2011","47","1","499","501","10.1039/c0cc02230f","","","1.54178","CuKα","","0.1223","0.0758","","","0.1998","0.233","","","","","","0.988","","","","has coordinates,has disorder","244112","2020-10-21","18:00:00",""
"7125601","24.7894","0.001","14.3443","0.0008","25.929","0.0011","90","","90","","90","","9220","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H92 Cu4 Dy4 N12 O46 -","- C72 H92 Cu4 Dy4 N12 O46 -","- C288 H368 Cu16 Dy16 N48 O184 -","4","0.5","","Kühne, Irina A; Magnani, Nicola; Mereacre, Valeriu; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","An octanuclear {Cu(II)4Dy(III)4} coordination cluster showing single molecule magnet behaviour from field accessible states.","Chemical communications (Cambridge, England)","2014","50","15","1882","1885","10.1039/c3cc46458j","","","0.71073","MoKα","","0.0687","0.0566","","","0.1363","0.1428","","","","","","1","","","","has coordinates","244388","2020-10-21","18:00:00",""
"7125602","24.8476","0.0009","14.0945","0.0004","25.6548","0.0008","90","","90","","90","","8984.7","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70.4 H88.8 Cu4 N12 O46 Y4 -","- C70.4 H88.8 Cu4 N12 O46 Y4 -","- C281.6 H355.2 Cu16 N48 O184 Y16 -","4","0.5","","Kühne, Irina A; Magnani, Nicola; Mereacre, Valeriu; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","An octanuclear {Cu(II)4Dy(III)4} coordination cluster showing single molecule magnet behaviour from field accessible states.","Chemical communications (Cambridge, England)","2014","50","15","1882","1885","10.1039/c3cc46458j","","","0.71073","MoKα","","0.0785","0.0642","","","0.1481","0.1557","","","","","","1.099","","","","has coordinates,has disorder","244388","2020-10-21","18:00:00",""
"7125615","18.355","0.003","18.334","0.003","42.496","0.006","90","","90","","90","","14301","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H46 Cu F6 N2 Sb -","- C31.1111 H40.8889 Cu0.888889 F5.33333 N1.77778 Sb0.888889 -","- C560 H736 Cu16 F96 N32 Sb16 -","18","2.25","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.1107","0.0479","","","0.0681","0.0848","","","","","","1.039","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125629","14.856","0.011","14.196","0.01","23.825","0.016","90","","90","","90","","5025","6","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Al Li O8 -","- C22 H40 Al Li O8 -","- C176 H320 Al8 Li8 O64 -","8","1","","Steller, Beate G.; Fischer, Roland C.; Flock, Michaela; Hill, Michael S.; Liptrot, David J.; McMullin, Claire L.; Rajabi, Nasir A.; Tiefling, Kathrin; Wilson, Andrew S. S.","Reductive dehydrocoupling of diphenyltin dihydride with LiAlH<sub>4</sub>: selective synthesis and structures of the first bicyclo[2.2.1]heptastannane-1,4-diide and bicyclo[2.2.2]octastannane-1,4-diide.","Chemical communications (Cambridge, England)","2020","56","3","336","339","10.1039/c9cc07976a","","","0.71073","MoKα","","0.0947","0.0703","","","0.1843","0.2052","","","","","","1.135","","","","has coordinates","247621","2020-10-21","18:00:00",""
"7125706","11.5668","0.0005","17.1785","0.0009","23.0513","0.001","90","","90","","90","","4580.3","0.4","293.1","0.2","293.1","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C192 H208 N16 O48 -","8","1","","Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling","Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization.","Chemical communications (Cambridge, England)","2020","56","6","960","963","10.1039/c9cc07372h","","x-ray","0.71073","MoKα","","0.1159","0.0608","","","0.1341","0.1672","","","","","","1.047","","","","has coordinates","247601","2020-10-21","18:00:00",""
"7125719","14.9129","0.0005","14.9759","0.0006","15.1499","0.0005","90","","90","","90","","3383.5","0.2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Ag4 I6 N4 -","- C18 H38 Ag4 I6 N4 -","- C72 H152 Ag16 I24 N16 -","4","0.5","","Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming","Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.","Chemical communications (Cambridge, England)","2020","56","3","462","465","10.1039/c9cc08394d","","","0.71073","MoKα","","0.064","0.0482","","","0.1109","0.1182","","","","","","1.066","","","","has coordinates","246450","2020-10-21","18:00:00",""
"7125747","23.5797","0.0004","35.6568","0.0009","29.9355","0.0007","90","","90","","90","","25169.1","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H62 Cl2 N8 P2 Ru -","- C64 H62 Cl2 N8 P2 Ru -","- C1024 H992 Cl32 N128 P32 Ru16 -","16","2","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.1465","0.0792","","","0.1568","0.2021","","","","","","1.103","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125764","17.7226","0.0007","16.5686","0.0005","21.4449","0.0007","90","","90","","90","","6297.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H28 I2 N8 Ni2 Zn -","- C32 H28 I2 N8 Ni2 Zn -","- C256 H224 I16 N64 Ni16 Zn8 -","8","1","","Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich","Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2019","55","65","9705","9708","10.1039/c9cc05283f","","x-ray","0.71073","MoKα","","0.0736","0.0497","","","0.118","0.1328","","","","","","1.135","","","","has coordinates","246593","2020-10-21","18:00:00",""
"7125775","10.532","0.006","9.624","0.005","43.85","0.002","90","","90","","90","","4445","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Br N2 O3 -","- C25 H23 Br N2 O3 -","- C200 H184 Br8 N16 O24 -","8","1","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","","0.71073","MoKα","","0.1915","0.0759","","","0.1461","0.1631","","","","","","1.082","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125805","17.0008","0.0015","12.4285","0.0012","18.4315","0.0018","90","","90","","90","","3894.5","0.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4,10-di-tert-butyl-bis([1,2,3]dithiazolo)[5,4-a:5',4'-h]phenazinediium bis(tetrachlorogallate), solvate with acetonitrile","","- C24 H26 Cl8 Ga2 N6 S4 -","- C24 H26 Cl8 Ga2 N6 S4 -","- C96 H104 Cl32 Ga8 N24 S16 -","4","0.5","","Makarov, Alexander Yu; Volkova, Yulia M.; Shundrin, Leonid A.; Dmitriev, Alexey A.; Irtegova, Irina G.; Bagryanskaya, Irina Yu; Shundrina, Inna K.; Gritsan, Nina P.; Beckmann, Jens; Zibarev, Andrey V.","Chemistry of Herz radicals: a new way to near-IR dyes with multiple long-lived and differently-coloured redox states.","Chemical communications (Cambridge, England)","2020","56","5","727","730","10.1039/c9cc08557b","","","0.71073","MoKα","","0.098","0.0584","","","0.1489","0.1723","","","","","","1.032","","","","has coordinates","247589","2020-10-21","18:00:00",""
"7125832","6.3469","0.0006","21.271","0.002","25.867","0.002","90","","90","","90","","3492.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 F3 N O -","- C20 H20 F3 N O -","- C160 H160 F24 N8 O8 -","8","1","","Liang, Xiaoyu; Guo, Pan; Yang, Wenjie; Li, Meng; Jiang, Chengzhou; Sun, Wangbin; Loh, Teck-Peng; Jiang, Yaojia","Stereoselective synthesis of trifluoromethyl-substituted 2H-furan-amines from enaminones.","Chemical communications (Cambridge, England)","2020","56","13","2043","2046","10.1039/c9cc08582c","","","0.71073","MoKα","","0.1269","0.0525","","","0.0922","0.114","","","","","","1.044","","","","has coordinates","248824","2020-10-21","18:00:00",""
"7125942","15.3902","0.0008","22.0785","0.0008","29.9364","0.0015","90","","90","","90","","10172.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H70 Cr F5 N4 -","- C59 H70 Cr F5 N4 -","- C472 H560 Cr8 F40 N32 -","8","1","","Dong, Yuyang; Clarke, Ryan M.; Zheng, Shao-Liang; Betley, Theodore A.","Synthesis and electronic structure studies of a Cr-imido redox series.","Chemical communications (Cambridge, England)","2020","56","21","3163","3166","10.1039/d0cc00108b","","","0.71073","MoKα","","0.1414","0.0697","","","0.132","0.1586","","","","","","1.017","","","","has coordinates","250204","2020-10-21","18:00:00",""
"7125985","9.026","0.002","11.173","0.002","23.919","0.005","90","","90","","90","","2412.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Lunjian; Niu, Yongsheng; Yu, Youzhu; Yang, Bo; Zhang, Beining; Han, Chuchu; Yang, Liguo; Zhai, Hongbin","Synthesis of cyclobutane-fused oxygen-containing tricyclic framework via thermally promoted intramolecular cycloaddition of cyclohexadienone-tethered allenes.","Chemical communications (Cambridge, England)","2020","56","23","3405","3408","10.1039/d0cc00061b","","","0.71073","MoKα","","0.0493","0.0436","","","0.1162","0.1237","","","","","","1.053","","","","has coordinates","250195","2020-10-21","18:00:00",""
"7125988","14.61721","0.0001","17.96113","0.00012","27.42571","0.00018","90","","90","","90","","7200.39","0.08","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 F6 N4 O6 S2 -","- C29 H42 F6 N4 O6 S2 -","- C232 H336 F48 N32 O48 S16 -","8","1","","Barthes, Cécile; Duhayon, Carine; Canac, Yves; César, Vincent","N-Cyclopropenio-imidazol-2-ylidene: An N-heterocyclic carbene bearing an N-cationic substituent.","Chemical communications (Cambridge, England)","2020","56","22","3305","3308","10.1039/d0cc00477d","","","1.5418","CuKα","","0.0356","0.0348","","0.0353","0.035","0.0349","","","","","","1.1052","","","","has coordinates","250162","2020-10-21","18:00:00",""
"7126001","8.3242","0.0003","12.6129","0.0003","28.2407","0.0008","90","","90","","90","","2965.06","0.15","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C144 H112 Br8 N8 O16 -","8","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.0632","0.0354","","","0.0689","0.081","","","","","","1.014","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126050","18.8893","0.0004","26.1136","0.0004","24.2536","0.0004","90","","90","","90","","11963.5","0.4","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 As Cl8 Ga2 N3 -","- C54 H72 As Cl8 Ga2 N3 -","- C432 H576 As8 Cl64 Ga16 N24 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.","Chemical communications (Cambridge, England)","2020","56","24","3575","3578","10.1039/d0cc00624f","","x-ray","1.54184","CuKα","","0.085","0.0676","","","0.1669","0.1792","","","","","","1.087","","","","has coordinates,has disorder","250150","2020-10-21","18:00:00",""
"7126053","20.9281","0.0012","22.1548","0.0012","28.9986","0.0017","90","","90","","90","","13445.4","1.3","190","","190","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ag12 F36 N12 O26 S6 -","- C90 H100 Ag12 F36 N12 O26 S6 -","- C360 H400 Ag48 F144 N48 O104 S24 -","4","0.5","","Chen, Xu-Ran; Yang, Ling; Tan, Yu-Ling; Yu, Hong; Ni, Chun-Yan; Niu, Zheng; Lang, Jian-Ping","The solvent-induced isomerization of silver thiolate clusters with symmetry transformation.","Chemical communications (Cambridge, England)","2020","56","25","3649","3652","10.1039/d0cc01195a","","","0.71073","MoKα","","0.0756","0.0484","","","0.1009","0.1142","","","","","","1.064","","","","has coordinates,has disorder","250184","2020-10-21","18:00:00",""
"7126133","9.8856","0.0006","10.418","0.0005","42.5525","0.0016","90","","90","","90","","4382.4","0.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H31 N7 O -","- C22 H31 N7 O -","- C176 H248 N56 O8 -","8","1","","Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","'Atypical Ugi' tetrazoles.","Chemical communications (Cambridge, England)","2020","56","12","1799","1802","10.1039/c9cc09194g","","x-ray","0.71073","MoKα","","0.2098","0.0836","","","0.1581","0.2206","","","","","","0.981","","","","has coordinates","248743","2020-10-21","18:00:00",""
"7126144","14.7356","0.0003","5.75805","0.00013","24.963","0.0005","90","","90","","90","","2118.07","0.08","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Cl N O -","- C14 H8 Cl N O -","- C112 H64 Cl8 N8 O8 -","8","1","","Shan, Xiang-Huan; Yang, Bo; Qu, Jian-Ping; Kang, Yan-Biao","CuSO<sub>4</sub>-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes.","Chemical communications (Cambridge, England)","2020","56","29","4063","4066","10.1039/d0cc01172j","","","1.54184","CuKα","","0.0398","0.0379","","","0.0996","0.1019","","","","","","1.071","","","","has coordinates","251540","2020-10-21","18:00:00",""
"7126156","13.4901","0.0016","13.2578","0.0016","30.134","0.004","90","","90","","90","","5389.4","1.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl Mn N5 O3 -","- C29 H27 Cl Mn N5 O3 -","- C232 H216 Cl8 Mn8 N40 O24 -","8","1","","Liu, Yi; Guo, Jin-Han; Dao, Xiao-Yao; Zhang, Xiu-Du; Zhao, Yue; Sun, Wei-Yin","Coordination polymers with a pyridyl-salen ligand for photocatalytic carbon dioxide reduction.","Chemical communications (Cambridge, England)","2020","56","29","4110","4113","10.1039/d0cc00425a","","","0.71073","MoKα","","0.0606","0.0456","","","0.1125","0.1201","","","","","","1.042","","","","has coordinates","251538","2020-10-21","18:00:00",""
"7126157","13.4819","0.0005","13.3393","0.0005","30.1323","0.0013","90","","90","","90","","5419","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl Fe N5 O3 -","- C29 H27 Cl Fe N5 O3 -","- C232 H216 Cl8 Fe8 N40 O24 -","8","1","","Liu, Yi; Guo, Jin-Han; Dao, Xiao-Yao; Zhang, Xiu-Du; Zhao, Yue; Sun, Wei-Yin","Coordination polymers with a pyridyl-salen ligand for photocatalytic carbon dioxide reduction.","Chemical communications (Cambridge, England)","2020","56","29","4110","4113","10.1039/d0cc00425a","","","0.71073","MoKα","","0.0445","0.0331","","","0.0948","0.1004","","","","","","1.238","","","","has coordinates","251538","2020-10-21","18:00:00",""
"7126205","21.018","0.009","10.048","0.004","27.166","0.012","90","","90","","90","","5737","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H25 Br N2 -","- C38 H25 Br N2 -","- C304 H200 Br8 N16 -","8","1","","Wu, Shaonan; Wang, Zhuo; Bao, Yinwei; Chen, Chen; Liu, Kun; Zhu, Bolin","A novel approach for rhodium(iii)-catalyzed C-H functionalization of 2,2'-bipyridine derivatives with alkynes: a significant substituent effect.","Chemical communications (Cambridge, England)","2020","56","32","4408","4411","10.1039/d0cc01077d","","","0.71073","MoKα","","0.1919","0.0855","","","0.1898","0.2298","","","","","","0.771","","","","has coordinates","251553","2020-10-21","18:00:00",""
"7126246","14.3032","0.0013","17.5925","0.0015","24.968","0.002","90","","90","","90","","6282.7","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H19 B F20 Ge O2 -","- C30 H19 B F20 Ge O2 -","- C240 H152 B8 F160 Ge8 O16 -","8","1","","Talavera, Maria; Meißner, Gisa; Rachor, Simon G.; Braun, Thomas","C-F activation reactions at germylium ions: dehydrofluorination of fluoralkanes.","Chemical communications (Cambridge, England)","2020","56","32","4452","4455","10.1039/d0cc01420f","","","0.71073","MoKα","","0.0312","0.0276","","","0.1051","0.1112","","","","","","1.017","","","","has coordinates","251549","2020-10-21","18:00:00",""
"7126353","15.1373","0.0014","14.4119","0.0013","16.4702","0.0015","90","","90","","90","","3593.1","0.6","242","2","242","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H13 Cl N3 S -","- C21 H14 Cl N3 S -","- C168 H112 Cl8 N24 S8 -","8","1","","Guo, Tao; Wei, Xu-Ning; Zhang, Miao; Liu, Yu; Zhu, Li-Min; Zhao, Yun-Hui","Catalyst and additive-free oxidative dual C-H sulfenylation of imidazoheterocycles with elemental sulfur using DMSO as a solvent and an oxidant.","Chemical communications (Cambridge, England)","2020","56","43","5751","5754","10.1039/d0cc00043d","","","1.54178","cukα","","0.028","0.0276","","","0.075","0.0753","","","","","","1.067","","","","has coordinates","252696","2020-10-21","18:00:00",""
"7126356","6.0865","0.001","17.576","0.004","20.351","0.003","90","","90","","90","","2177.1","0.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","1","","Huang, Guoling; Li, Jian; Ji, Xiaoliang; Chen, Lu; Liu, Qiang; Chen, Xiuwen; Huang, Yubing; Li, Yibiao","Access to 4-substituted isothiazoles through three-component cascade annulation and their application in C-H activation.","Chemical communications (Cambridge, England)","2020","56","43","5763","5766","10.1039/d0cc01100b","","x-ray","0.71073","MoKα","","0.096","0.0701","","","0.164","0.1832","","","","","","1.022","","","","has coordinates","252694","2020-10-21","18:00:00",""
"7126441","7.1609","0.0002","10.0337","0.0003","48.7164","0.0015","90","","90","","90","","3500.29","0.18","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0836","0.0692","","","0.1594","0.1652","","","","","","1.112","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126445","7.1936","0.0015","10.205","0.003","50.76","0.04","90","","90","","90","","3726","3","399.9","0.3","399.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1737","0.1104","","","0.3171","0.3638","","","","","","1.072","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126446","7.2099","0.001","10.1738","0.0009","49.415","0.006","90","","90","","90","","3624.7","0.7","300","0.17","300","0.17","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.1356","0.0887","","","0.2518","0.2803","","","","","","1.046","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126447","7.175","0.0002","10.0917","0.0003","49.0041","0.0013","90","","90","","90","","3548.29","0.17","200.03","0.16","200.03","0.16","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F2 O3 -","- C20 H21 B F2 O3 -","- C160 H168 B8 F16 O24 -","8","1","","Wang, Jian-Xin; Yu, Yi-Shuai; Niu, Li-Ya; Zou, Bo; Wang, Kai; Yang, Qing-Zheng","A difluoroboron β-diketonate based thermometer with temperature-dependent emission wavelength.","Chemical communications (Cambridge, England)","2020","56","46","6269","6272","10.1039/d0cc01505a","","x-ray","0.71073","MoKα","","0.0933","0.0729","","","0.1964","0.2066","","","","","","1.095","","","","has coordinates","253795","2020-10-21","18:00:00",""
"7126582","17.0129","0.001","12.3612","0.0007","27.5884","0.0016","90","","90","","90","","5801.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H22 B N O2 -","- C14 H22 B N O2 -","- C224 H352 B16 N16 O32 -","16","2","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","0.71073","MoKα","","0.0892","0.0567","","","0.1364","0.164","","","","","","1.089","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126584","10.6561","0.0016","15.0608","0.0013","19.6214","0.0017","90","","90","","90","","3149","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F2 N O2 -","- C15 H22 B F2 N O2 -","- C120 H176 B8 F16 N8 O16 -","8","1","","Ilin, Egor A.; Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping.","Chemical communications (Cambridge, England)","2020","56","52","7140","7142","10.1039/d0cc02567d","","","1.54178","CuKα","","0.0353","0.0323","","","0.085","0.0877","","","","","","1.038","","","","has coordinates","253785","2020-10-21","18:00:00",""
"7126610","18.6834","0.0005","18.4365","0.0006","16.0574","0.0004","90","","90","","90","","5531.1","0.3","193","","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 I2 Mo N P2 -","- C22 H42 I2 Mo N P2 -","- C176 H336 I16 Mo8 N8 P16 -","8","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1658","0.1137","","","0.1806","0.204","","","","","","1","","","","has coordinates","253772","2020-10-21","18:00:00",""
"7126639","16.4786","0.0001","22.1586","0.0001","27.4653","0.0002","90","","90","","90","","10028.8","0.11","99.9","0.2","99.9","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H60 Au F6 N4 O3 P -","- C52 H60 Au F6 N4 O3 P -","- C416 H480 Au8 F48 N32 O24 P8 -","8","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Dunsky, Evie Y.; Lynch, Vincent M.; He, Xiao-Peng; Sessler, Jonathan L.; Arambula, Jonathan F.","Toward multifunctional anticancer therapeutics: post-synthetic carbonate functionalisation of asymmetric Au(i) bis-N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2020","56","57","7877","7880","10.1039/d0cc03339a","","x-ray","1.54184","CuKα","","0.032","0.0298","","","0.0806","0.0836","","","","","","1.047","","","","has coordinates","254891","2020-10-21","18:00:00",""
"7126688","16.6877","0.0004","17.7466","0.0004","24.3929","0.0006","90","","90","","90","","7224","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Co Ga3 I5 -","- C28 H33 Co Ga3 I5 -","- C224 H264 Co8 Ga24 I40 -","8","1","","Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.","A transition metal-gallium cluster formed via insertion of ""GaI"".","Chemical communications (Cambridge, England)","2020","56","58","8139","8142","10.1039/d0cc03559a","","x-ray","1.54184","CuKα","","0.2575","0.2497","","","0.5893","0.5981","","","","","","2.777","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7126754","17.514","0.003","11.9262","0.0017","23.97","0.004","90","","90","","90","","5006.7","1.4","203","","203","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H66 N8 Ni Si2 -","- C52 H66 N8 Ni Si2 -","- C208 H264 N32 Ni4 Si8 -","4","0.5","","Usui, Ryosuke; Sunada, Yusuke","Insertion of Ni(0) and Pd(0) precursors into the Si-Si bond of a disilane with two hypercoordinate silicon atoms.","Chemical communications (Cambridge, England)","2020","56","60","8464","8467","10.1039/d0cc03211e","","","0.71075","MoKα","","0.108","0.0629","","","0.1611","0.1904","","","","","","0.999","","","","has coordinates","254900","2020-10-21","18:00:00",""
"7126773","11.9749","0.0004","15.7608","0.0005","23.8262","0.0007","90","","90","","90","","4496.8","0.2","153","","153.02","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H28 Cl N2 O Rh -","- C25 H28 Cl N2 O Rh -","- C200 H224 Cl8 N16 O8 Rh8 -","8","1","","Wang, Jinlei; Zheng, Guangfan; Li, Xingwei","Rhodium(iii)-catalyzed diamidation of olefins via amidorhodation and further amidation.","Chemical communications (Cambridge, England)","2020","56","56","7809","7812","10.1039/d0cc00952k","","","1.54178","CuKα","","0.0241","0.0237","","","0.0577","0.058","","","","","","1.1","","","","has coordinates,has disorder","254878","2020-10-21","18:00:00",""
"7126815","14.8226","0.0012","9.0342","0.0007","23.887","0.002","90","","90","","90","","3198.7","0.4","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C168 H160 O16 -","8","1","","Li, Jian; Yang, Fang; Hu, Weiwei; Ren, Bo; Chen, Zi-Sheng; Ji, Kegong","Gold(i)-catalyzed tandem cyclization of cyclopropylidene-tethered propargylic alcohols: an approach to functionalized naphtho[2,3-c]pyrans.","Chemical communications (Cambridge, England)","2020","56","64","9154","9157","10.1039/d0cc03285a","","x-ray","0.71073","MoKα","","0.0683","0.0457","","","0.0904","0.1023","","","","","","1.07","","","","has coordinates","255975","2020-10-21","18:00:00",""
"7126864","12.6724","0.0019","19.811","0.003","20.784","0.003","90","","90","","90","","5217.9","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H36 Cl8 Mn N5 -","- C58 H36 Cl8 Mn N5 -","- C232 H144 Cl32 Mn4 N20 -","4","0.5","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","x-ray","0.71073","MoKα","","0.1039","0.1003","","","0.2313","0.2327","","","","","","1.362","","","","has coordinates,has disorder","255973","2020-10-21","18:00:00",""
"7126871","9.177","0.007","17.401","0.012","33.72","0.03","90","","90","","90","","5385","7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(Me3-TPDAP)(SCN)(OOtBu)](ClO4)","","","- C21 H36 Cl Co N6 O6 S -","- C21 H36 Cl Co N6 O6 S -","- C168 H288 Cl8 Co8 N48 O48 S8 -","8","1","","Shin, Bongki; Park, Younwoo; Jeong, Donghyun; Cho, Jaeheung","Nucleophilic reactivity of a mononuclear cobalt(iii)-bis(tert-butylperoxo) complex.","Chemical communications (Cambridge, England)","2020","56","66","9449","9452","10.1039/d0cc03385e","","","0.71073","MoKa","","0.1337","0.0771","","","0.1278","0.146","","","","","","1.133","","","","has coordinates","255995","2020-10-21","18:00:00",""
"7126877","6.8575","0.0003","17.6675","0.0007","29.0079","0.0011","90","","90","","90","","3514.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa","Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.","Chemical communications (Cambridge, England)","2020","56","66","9533","9536","10.1039/d0cc04309e","","x-ray","1.54184","CuKα","","0.054","0.0456","","","0.111","0.1178","","","","","","1.084","","","","has coordinates","255992","2020-10-21","18:00:00",""
"7126886","16.093","0.004","20.363","0.005","23.088","0.006","90","","90","","90","","7566","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(tBu2NNN)RuCl2(PPh3)","(tBu2NNN)RuCl2(PPh3)","","- C35 H42 Cl6 N3 P Ru -","- C35 H42 Cl6 N3 P Ru -","- C280 H336 Cl48 N24 P8 Ru8 -","8","1","","Dutta, Moumita; Das, Kanu; Prathapa, Siriyara Jagannatha; Srivastava, Hemant Kumar; Kumar, Akshai","Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts.","Chemical communications (Cambridge, England)","2020","56","68","9886","9889","10.1039/d0cc02884c","","","0.71073","MoKα","","0.2603","0.1091","","","0.2416","0.3385","","","","","","1.013","","","","has coordinates,has disorder","256018","2020-10-21","18:00:00",""
"7126897","13.1669","0.0001","15.4955","0.0001","18.8598","0.0001","90","","90","","90","","3847.92","0.04","297.99","0.15","297.99","0.15","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lorlatinib","","","- C21 H19 F N6 O2 -","- C21 H19 F N6 O2 -","- C168 H152 F8 N48 O16 -","8","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.05","0.0422","","","0.1231","0.1302","","","","","","1.061","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126905","12.9345","0.0002","6.0221","0.0001","34.8527","0.0008","90","","90","","90","","2714.78","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluconazole","","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0536","0.0485","","","0.1241","0.1275","","","","","","1.05","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126969","10.3068","0.0002","14.7409","0.0002","28.6394","0.0004","90","","90","","90","","4351.23","0.12","106","8","106","8","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene","3,3?6,6?-tetrabromo-9,9?-spriosilabifluorene","","- C24 H12 Br4 Si -","- C24 H12 Br4 Si -","- C192 H96 Br32 Si8 -","8","1","","Nesmelov, Andrei; Lee, David; Bejger, Christopher; Kocherga, Margaret; Lyles, Zachary; Greenier, Madeline K.; Vitallo, Ashley Ariel; Kaouk, Ghallia; Jones, Daniel S.; Schmedake, Thomas A.","Accessing new microporous polyspirobifluorenes via a C/Si switch.","Chemical communications (Cambridge, England)","2020","56","68","9846","9849","10.1039/d0cc02767g","","x-ray","1.54182","CuKα","","0.0183","0.0177","","","0.0443","0.0446","","","","","","1.158","","","","has coordinates","256009","2020-10-21","18:00:00",""
"7127020","14.8174","0.0008","10.5692","0.0008","15.649","0.0009","90","","90","","90","","2450.8","0.3","143","2","143","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 F13 N2 Sb2 -","- C2 H7 F13 N2 Sb2 -","- C16 H56 F104 N16 Sb16 -","8","1","","Cantin, Thomas; Morgenstern, Yvonne; Mingot, Agnès; Kornath, Andreas; Thibaudeau, Sébastien","Evidence and exploitation of dicationic ammonium-nitrilium superelectrophiles: direct synthesis of unsaturated piperidinones.","Chemical communications (Cambridge, England)","2020","56","75","11110","11113","10.1039/d0cc02910f","","","0.71073","MoKα","","0.0397","0.0298","","","0.0657","0.0701","","","","","","1.016","","","","has coordinates","257262","2020-10-21","18:00:00",""
"7127088","16.7941","0.0004","19.6395","0.0004","21.899","0.0006","90","","90","","90","","7222.9","0.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H57 I Mg N2 -","- C37 H57 I Mg N2 -","- C296 H456 I8 Mg8 N16 -","8","1","","Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd","Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.","Chemical communications (Cambridge, England)","2020","56","77","11402","11405","10.1039/d0cc05200k","","x-ray","0.71073","MoKα","","0.0437","0.0316","","","0.0658","0.0717","","","","","","1.029","","","","has coordinates","257244","2020-10-21","18:00:00",""
"7127095","20.6526","0.0005","21.3478","0.0004","25.5068","0.0006","90","","90","","90","","11245.6","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C50 H75 Nd O8 Pt S4 V -","- C50 H75 Nd O8 Pt S4 V -","- C400 H600 Nd8 O64 Pt8 S32 V8 -","8","1","","Beach, Stephanie A.; Guillet, Jesse L.; Lagueux, Sydney P.; Perfetti, Mauro; Livesay, Brooke N.; Shores, Matthew P.; Bacon, Jeffrey W.; Rheingold, Arnold L.; Arnold, Polly L.; Doerrer, Linda H.","Heterotrimetallic {LnOVPt} complexes with antiferromagnetic Ln-V coupling and magnetic memory.","Chemical communications (Cambridge, England)","2020","56","75","11062","11065","10.1039/d0cc04334f","","x-ray","0.71073","MoKα","","0.0844","0.0526","","","0.1044","0.1198","","","","","","1.108","","","","has coordinates","257257","2020-10-21","18:00:00",""
"7127179","15.669","0.006","14.306","0.005","20.014","0.008","90","","90","","90","","4486","3","103","","103","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Cl N2 Ni Rh S2 -","- C19 H36 Cl N2 Ni Rh S2 -","- C152 H288 Cl8 N16 Ni8 Rh8 S16 -","8","1","","Ogo, Seiji; Ando, Tatsuya; Minh, Le Tu Thi; Mori, Yuki; Matsumoto, Takahiro; Yatabe, Takeshi; Yoon, Ki-Seok; Sato, Yukio; Hibino, Takashi; Kaneko, Kenji","A NiRhS fuel cell catalyst - lessons from hydrogenase.","Chemical communications (Cambridge, England)","2020","56","79","11787","11790","10.1039/d0cc04789a","","","0.71075","MoKα","","0.1104","0.0896","","","0.1807","0.1919","","","","","","1.22","","","","has coordinates","260645","2021-01-07","04:41:51",""
"7127196","7.2898","0.0002","15.8113","0.0004","25.4414","0.0009","90","","90","","90","","2932.41","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10.86 H10.29 O1.14 -","- C10.8571 H10.2857 O1.14286 -","- C152 H144 O16 -","14","1.75","","Gao, Bingjian; Zou, Suchen; Yang, Guoqing; Ding, Yongzheng; Huang, Hanmin","Carbonylative cycloaddition between two different alkenes enabled by reactive directing groups: expedited construction of bridged polycyclic skeletons.","Chemical communications (Cambridge, England)","2020","56","81","12198","12201","10.1039/d0cc05362g","","","1.54184","CuKα","","0.0737","0.0659","","","0.1652","0.1764","","","","","","1.035","","","","has coordinates","260625","2021-01-07","04:36:50",""
"7127270","8.8744","0.0006","11.4021","0.0007","60.208","0.004","90","","90","","90","","6092.3","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O3 -","- C21 H16 O3 -","- C336 H256 O48 -","16","2","","Yasui, Takeshi; Kikuchi, Tomohiro; Yamamoto, Yoshihiko","Rhodium-catalyzed cycloisomerization of ester-tethered 1,6-diynes with cyclopropanol moiety leading to tetralone/exocyclic diene hybrid molecules.","Chemical communications (Cambridge, England)","2020","56","84","12865","12868","10.1039/d0cc05429a","","","1.54187","CuKα","","0.16","0.1092","","","0.2772","0.3326","","","","","","1.069","","","","has coordinates","260701","2021-01-07","04:56:19",""
"7127287","17.4444","0.0008","11.2142","0.0005","23.4319","0.0011","90","","90","","90","","4583.9","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B10 Br2 S2 -","- C15 H20 B10 Br2 S2 -","- C120 H160 B80 Br16 S16 -","8","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2020","56","85","12997","13000","10.1039/d0cc05207h","","","0.71073","MoKα","","0.0535","0.0423","","","0.1039","0.1137","","","","","","1.052","","","","has coordinates","260669","2021-01-07","04:48:52",""
"7127305","11.1139","0.0003","17.2203","0.0005","36.7506","0.0011","90","","90","","90","","7033.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H48 Cl Co N P3 -","- C37 H48 Cl Co N P3 -","- C296 H384 Cl8 Co8 N8 P24 -","8","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0508","0.0333","","","0.0692","0.0765","","","","","","1.03","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127306","18.5652","0.0003","15.3844","0.0003","25.5535","0.0006","90","","90","","90","","7298.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H52 Cl Co N P3 -","- C39 H52 Cl Co N P3 -","- C312 H416 Cl8 Co8 N8 P24 -","8","1","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0388","0.0289","","","0.0676","0.0721","","","","","","1.026","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7127313","22.085","0.007","9.856","0.003","22.387","0.007","90","","90","","90","","4873","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","triethyl (2,8-dioxo-4-phenyl-1-oxaspiro[4.5]deca-3,6,9-trien-3-yl)methanetricarboxylate","","- C25 H24 O9 -","- C25 H24 O9 -","- C200 H192 O72 -","8","1","","Manna, Sabyasachi; Someswara Ashwathappa, Puneeth Kumar; Prabhu, Kandikere Ramaiah","Visible light-mediated ipso-annulation of activated alkynes: access to 3-alkylated spiro[4,5]-trienones, thiaspiro[4,5]-trienones and azaspiro[4,5]-trienones.","Chemical communications (Cambridge, England)","2020","56","86","13165","13168","10.1039/d0cc01217c","","","0.71073","MoKα","","0.1687","0.1068","","","0.2705","0.2903","","","","","","1.739","","","","has coordinates","260605","2021-01-07","04:31:13",""
"7127319","10.519","0.0005","14.5588","0.0007","22.7509","0.001","90","","90","","90","","3484.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 Cl4 O10 -","- C34 H33.604 Cl4 O10 -","- C136 H134.416 Cl16 O40 -","4","0.5","","Joshi, Saurabh; Yip, Yong Jie; Türel, Tankut; Verma, Sandeep; Valiyaveettil, Suresh","Cu-tetracatechol metallopolymer catalyst for three component click reactions and β-borylation of α,β-unsaturated carbonyl compounds.","Chemical communications (Cambridge, England)","2020","56","85","13044","13047","10.1039/d0cc05823h","","","0.71073","MoKα","","0.0884","0.0816","","","0.259","0.2702","","","","","","1.074","","","","has coordinates,has disorder","260673","2021-01-07","04:49:27",""
"7127325","14.2635","0.0004","17.4695","0.0006","30.1975","0.001","90","","90","","90","","7524.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F6 Fe N3 O7 S5 -","- C35 H31 F6 Fe N3 O7 S5 -","- C280 H248 F48 Fe8 N24 O56 S40 -","8","1","","Chan, Siu-Chung; Yeung, Chi-Fung; Shek, Hau-Lam; Ng, Sze-Wing; Tse, Sheung-Ying; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Iron(ii)-induced cycloisomerization of alkynes via""non-vinylidene"" pathways for iron(ii)-indolizine and -indolizinone complexes.","Chemical communications (Cambridge, England)","2020","56","83","12644","12647","10.1039/d0cc05081d","","","0.71073","MoKα","","0.0847","0.0504","","","0.104","0.1224","","","","","","1.026","","","","has coordinates","260618","2021-01-07","04:35:17",""
"7127382","17.2098","0.0016","7.3662","0.0007","22.672","0.002","90","","90","","90","","2874.1","0.5","289","2","289","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C152 H128 N16 -","8","1","","Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo","γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.","Chemical communications (Cambridge, England)","2020","56","87","13389","13392","10.1039/d0cc04740f","","","0.71073","MoKα","","0.0997","0.0559","","","0.1235","0.1511","","","","","","1.141","","","","has coordinates","260712","2021-01-07","04:59:41",""
"7127399","19.5549","0.0003","17.1275","0.0003","19.6848","0.0003","90","","90","","90","","6592.96","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Au B2 O P2 -","- C36 H45 Au B2 O P2 -","- C288 H360 Au8 B16 O8 P16 -","8","1","","Taylor, Jordan W.; Harman, W. Hill","H<sub>2</sub> evolution from H<sub>2</sub>O via O-H oxidative addition across a 9,10-diboraanthracene.","Chemical communications (Cambridge, England)","2020","56","89","13804","13807","10.1039/d0cc05261b","","","0.71073","MoKα","","0.0203","0.0148","","","0.0344","0.0369","","","","","","1.053","","","","has coordinates","260655","2021-01-07","04:45:32",""
"7127410","19.8677","0.0004","17.9409","0.0003","27.8048","0.0006","90","","90","","90","","9910.9","0.3","122.99","0.19","122.99","0.19","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H69 N2 O4 P4 Ta -","- C42 H59.0003 N2 O3 P4 Ta -","- C336 H472.002 N16 O24 P32 Ta8 -","8","1","","Riedlberger, Felix; Seidl, Michael; Scheer, Manfred","The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.","Chemical communications (Cambridge, England)","2020","56","89","13836","13839","10.1039/d0cc06150f","","x-ray","1.54184","CuKα","","0.0825","0.0772","","","0.1496","0.1519","","","","","","1.176","","","","has coordinates,has disorder","260650","2021-01-07","04:44:52",""
"7127488","18.3148","0.0003","7.58","0.0001","27.7096","0.0005","90","","90","","90","","3846.82","0.11","292.9","0.1","292.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cyx","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C184 H144 Cl8 N24 O8 -","8","1","","Cui, Yixin; Bai, Dachang; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rh(iii)-Catalyzed acylation of heteroarenes with cyclobutenones via C-H/C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","100","15631","15634","10.1039/d0cc05965j","","x-ray","1.54184","CuKα","","0.092","0.0869","","","0.2393","0.2446","","","","","","1.0363","","","","has coordinates","260703","2021-01-07","04:56:56",""
"7127525","24.8443","0.0018","22.0162","0.0017","30.643","0.002","90","","90","","90","","16761","2","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C75 H96 Au B Cl6 F12 O3 P2 -","- C75 H96 Au B Cl6 F12 O3 P2 -","- C600 H768 Au8 B8 Cl48 F96 O24 P16 -","8","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0695","0.0362","","","0.0797","0.0959","","","","","","1.063","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127526","18.4404","0.001","22.2609","0.0011","23.8142","0.001","90","","90","","90","","9775.7","0.8","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H39 Au B Cl3 F12 N P -","- C46 H39 Au B Cl3 F12 N P -","- C368 H312 Au8 B8 Cl24 F96 N8 P8 -","8","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0419","0.0281","","","0.0676","0.0763","","","","","","1.047","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127634","17.836","0.004","18.86","0.003","19.709","0.004","90","","90","","90","","6630","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Cl2 N2 Ru2 Zn -","- C32 H42 Cl2 N2 Ru2 Zn -","- C256 H336 Cl16 N16 Ru16 Zn8 -","8","1","","Takemoto, Shin; Yoshii, Kaname; Yamano, Takahiro; Tsurusaki, Akihiro; Matsuzaka, Hiroyuki","Metal-metal multiple bond formation induced by σ-acceptor Lewis acid ligands.","Chemical communications (Cambridge, England)","2021","57","7","923","926","10.1039/d0cc07278h","","","0.71075","MoKα","","0.0359","0.0256","","","0.0619","0.0666","","","","","","1.016","","","","has coordinates","261556","2021-02-04","22:41:42",""
"7127637","17.575","0.0006","18.588","0.0006","20.2407","0.0008","90","","90","","90","","6612.3","0.4","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Cl2 N2 Pb Ru2 -","- C32 H42 Cl2 N2 Pb Ru2 -","- C256 H336 Cl16 N16 Pb8 Ru16 -","8","1","","Takemoto, Shin; Yoshii, Kaname; Yamano, Takahiro; Tsurusaki, Akihiro; Matsuzaka, Hiroyuki","Metal-metal multiple bond formation induced by σ-acceptor Lewis acid ligands.","Chemical communications (Cambridge, England)","2021","57","7","923","926","10.1039/d0cc07278h","","","0.71075","MoKα","","0.0999","0.044","","","0.0637","0.0741","","","","","","1","","","","has coordinates","261556","2021-02-04","22:41:42",""
"7127644","14.4585","0.0003","13.1776","0.0003","14.7761","0.0003","90","","90","","90","","2815.27","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 I3 N2 Zn -","- C8 H17 I3 N2 Zn -","- C64 H136 I24 N16 Zn8 -","8","1","","Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang","A multiaxial molecular ferroelectric with record high <i>T</i><sub>C</sub> designed by intermolecular interaction modulation.","Chemical communications (Cambridge, England)","2021","57","7","943","946","10.1039/d0cc07377f","","","0.71073","MoKα","","0.0632","0.0577","","","0.1838","0.1896","","","","","","1.074","","","","has coordinates","261558","2021-02-04","22:42:23",""
"7127664","8.6542","0.0003","11.7196","0.0005","35.017","0.0014","90","","90","","90","","3551.6","0.2","120","0.1","120","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 N2 -","- C19 H34 N2 -","- C152 H272 N16 -","8","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0688","0.0511","","","0.1184","0.1258","","","","","","1.056","","","","has coordinates","262470","2021-03-05","01:15:36",""
"7127680","14.3923","0.0006","16.9751","0.0006","29.3848","0.0013","90","","90","","90","","7179","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F7 N8 Ni P -","- C38 H36 F7 N8 Ni P -","- C304 H288 F56 N64 Ni8 P8 -","8","1","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0658","0.0384","","","0.0863","0.0982","","","","","","1.021","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127707","8.416","0.005","16.272","0.009","27.383","0.015","90","","90","","90","","3750","4","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 As O3 -","- C22 H21 As O3 -","- C176 H168 As8 O24 -","8","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0706","0.0505","","","0.0976","0.1068","","","","","","1.117","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127738","17.4645","0.0003","15.4359","0.0003","42.649","0.0006","90","","90","","90","","11497.3","0.3","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 N4 Ni P4 Si -","- C56 H76 N4 Ni P4 Si -","- C448 H608 N32 Ni8 P32 Si8 -","8","1","","Ziegler, Christoph G. P.; Taube, Clemens; Kelly, John A.; Hierlmeier, Gabriele; Uttendorfer, Maria; Weigand, Jan J.; Wolf, Robert","An unusual Ni<sub>2</sub>Si<sub>2</sub>P<sub>8</sub> cluster formed by complexation and thermolysis.","Chemical communications (Cambridge, England)","2020","56","90","14071","14074","10.1039/d0cc05365a","","x-ray","1.54184","CuKα","","0.0759","0.0664","","","0.1627","0.1681","","","","","","1.137","","","","has coordinates,has disorder","260463","2021-01-04","18:04:15",""
"7127835","22.1265","0.0005","20.9437","0.0005","24.5322","0.0006","90","","90","","90","","11368.5","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H63 B2 F8 N9 O Rh2 -","- C62 H63 B2 F8 N9 O Rh2 -","- C496 H504 B16 F64 N72 O8 Rh16 -","8","1","","Manamperi, Hemanthi D.; Moore, Curtis E.; Turro, Claudia","Dirhodium complexes as electrocatalysts for CO<sub>2</sub> reduction to HCOOH: role of steric hindrance on selectivity.","Chemical communications (Cambridge, England)","2021","57","13","1635","1638","10.1039/d0cc07659g","","x-ray","0.71073","MoKα","K-L~3~","0.08","0.0472","","","0.0994","0.1145","","","","","","1.06","","","","has coordinates","262493","2021-03-05","01:20:49",""
"7127879","15.9981","0.0006","15.7969","0.0005","19.0542","0.0007","90","","90","","90","","4815.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H31 B10 Cl N Rh S -","- C18 H31 B10 Cl N Rh S -","- C144 H248 B80 Cl8 N8 Rh8 S8 -","8","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.0627","0.0497","","","0.1219","0.1323","","","","","","1.042","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127881","16.183","0.002","15.932","0.002","19.224","0.003","90","","90","","90","","4956.5","1.2","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H31 B10 Cl Ir N S -","- C18 H31 B10 Cl Ir N S -","- C144 H248 B80 Cl8 Ir8 N8 S8 -","8","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","0.71073","MoKα","","0.0637","0.0331","","","0.0786","0.0948","","","","","","1.034","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7128001","16.62251","0.00011","16.92326","0.00015","21.21101","0.00015","90","","90","","90","","5966.81","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H39 O4 S Sb -","- C33 H39 O4 S Sb -","- C264 H312 O32 S8 Sb8 -","8","1","","Wenger, John S.; Johnstone, Timothy C.","Unsupported monomeric stibine oxides (R<sub>3</sub>SbO) remain undiscovered.","Chemical communications (Cambridge, England)","2021","57","28","3484","3487","10.1039/d1cc00619c","","","0.71073","MoKα","","0.0268","0.0209","","","0.0563","0.059","","","","","","1.028","","","","has coordinates","264860","2021-05-05","08:01:33",""
"7128004","9.9072","0.0006","8.9556","0.0005","15.9942","0.0011","90","","90","","90","","1419.08","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Na2 O10 -","- C10 H20 N2 Na2 O10 -","- C40 H80 N8 Na8 O40 -","4","0.5","","Zheng, Haoyue; Wang, Yanying; Cao, Peisheng; Wu, Peng","Color-tunable ultralong room temperature phosphorescence from EDTA.","Chemical communications (Cambridge, England)","2021","57","29","3575","3578","10.1039/d1cc00207d","","x-ray","0.71073","MoKα","","0.071","0.042","","","0.0925","0.1036","","","","","","1.032","","","","has coordinates","264858","2021-05-05","08:01:05",""
"7128006","9.9663","0.0003","26.937","0.0009","30.2924","0.0009","90","","90","","90","","8132.4","0.4","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Ho(tppo)2(H2O)5Cl3 H2O","","- C24 H60 Cl3 Ho N6 O8 P2 -","- C24 H60 Cl3 Ho N6 O8 P2 -","- C192 H480 Cl24 Ho8 N48 O64 P16 -","8","1","","Jia, Kexin; Meng, Xixi; Wang, Mengmeng; Gou, Xiaoshuang; Wang, Yu-Xia; Xu, Na; Shi, Wei; Cheng, Peng","Enhancing the energy barrier and hysteresis temperature in two benchtop-stable Ho(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2021","57","29","3607","3610","10.1039/d1cc00582k","","x-ray","0.71073","MoKα","","0.0833","0.0546","","","0.1327","0.1461","","","","","","1.038","","","","has coordinates","264854","2021-05-05","07:59:33",""
"7128007","10.0871","0.0003","26.8701","0.0008","30.9089","0.0008","90","","90","","90","","8377.6","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Br3 Ho N6 O8 P2 -","- C24 H60 Br3 Ho N6 O8 P2 -","- C192 H480 Br24 Ho8 N48 O64 P16 -","8","1","","Jia, Kexin; Meng, Xixi; Wang, Mengmeng; Gou, Xiaoshuang; Wang, Yu-Xia; Xu, Na; Shi, Wei; Cheng, Peng","Enhancing the energy barrier and hysteresis temperature in two benchtop-stable Ho(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2021","57","29","3607","3610","10.1039/d1cc00582k","","","0.71073","MoKα","","0.0822","0.0416","","","0.0816","0.0929","","","","","","1.017","","","","has coordinates","264854","2021-05-05","07:59:36",""
"7128049","17.7969","0.0002","8.4754","0.0001","19.1353","0.0001","90","","90","","90","","2886.29","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N O -","- C17 H14 F3 N O -","- C136 H112 F24 N8 O8 -","8","1","","Ji, Wangqin; Wu, Hai-Hong; Li, Wenbo; Zhang, Junliang","Copper-catalyzed cyclization reaction: synthesis of trifluoromethylated indolinyl ketones.","Chemical communications (Cambridge, England)","2021","57","36","4448","4451","10.1039/d1cc00960e","","x-ray","1.54184","CuKα","","0.0377","0.036","","","0.0929","0.0942","","","","","","1.082","","","","has coordinates","265891","2021-06-05","17:31:06",""
"7128074","24.4829","0.001","13.9216","0.0007","42.4462","0.0019","90","","90","","90","","14467.4","1.1","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H50 F5 N3 Si5 -","- C29 H50 F5 N3 Si5 -","- C464 H800 F80 N48 Si80 -","16","2","","Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Diverse reactivity of carbenes and silylenes towards fluoropyridines.","Chemical communications (Cambridge, England)","2021","57","36","4428","4431","10.1039/d1cc01401c","","","0.71073","MoKα","","0.0512","0.0425","","","0.0972","0.1014","","","","","","1.145","","","","has coordinates","265890","2021-06-05","17:30:53",""
"7128129","14.7277","0.0005","12.293","0.0004","21.1373","0.0007","90","","90","","90","","3826.9","0.2","170","2","170.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C192 H152 N24 O24 -","8","1","","Xiao, Xiao; Shao, Bingxuan; Li, Jingyi; Yang, Zehui; Lu, Yin-Jie; Ling, Fei; Zhong, Weihui","Enantioselective synthesis of functionalized 1,4-dihydropyrazolo-[4',3':5,6]pyrano[2,3-<i>b</i>]quinolines through ferrocenyl-phosphine-catalyzed annulation of modified MBH carbonates and pyrazolones.","Chemical communications (Cambridge, England)","2021","57","38","4690","4693","10.1039/d1cc00989c","","","1.54178","CuKα","","0.039","0.038","","","0.0979","0.0988","","","","","","1.082","","","","has coordinates","265907","2021-06-05","17:34:26",""
"7128166","11.112","0.002","12.5","0.003","15.599","0.003","90","","90","","90","","2166.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 N4 -","- C30 H18 N4 -","- C120 H72 N16 -","4","0.5","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","Synchrotron","","0.0562","0.0467","","","0.1232","0.1302","","","","","","1.078","","","","has coordinates","265883","2021-06-05","17:28:52",""
"7128219","11.6037","0.0005","12.4587","0.0003","22.322","0.0009","90","","90","","90","","3227","0.2","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F6 I N2 P -","- C12 H14 F6 I N2 P -","- C96 H112 F48 I8 N16 P8 -","8","1","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","","0.71073","MoKα","","0.0621","0.0404","","","0.1037","0.1222","","","","","","1.126","","","","has coordinates","265853","2021-06-05","17:21:25",""
"7128257","8.5949","0.0005","17.1989","0.001","29.961","0.002","90","","90","","90","","4428.9","0.5","219.9","0.4","219.9","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 F9 P -","- C24 H22 F9 P -","- C192 H176 F72 P8 -","8","1","","Ponce-de-León, Jaime; Infante, Rebeca; Espinet, Pablo","Easy wide scope access to luminescent fluorophosphoranes.","Chemical communications (Cambridge, England)","2021","57","44","5458","5461","10.1039/d1cc00976a","","x-ray","0.71073","MoKα","","0.1505","0.071","","","0.1862","0.2309","","","","","","1.041","","","","has coordinates,has disorder","265839","2021-06-05","17:17:28",""
"7128277","29.694","0.005","10.5922","0.0016","32.967","0.005","90","","90","","90","","10369","3","143.15","","143.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(N,N-bis(2-(diphenylphosphinomethylamido)phenyl)methylamine)-(dimethyl(phenyl)silyl)-(μ-pyridin-2-yl)-aluminium-rhodium","","- C52 H50 Al N4 P2 Rh Si -","- C52 H50 Al N4 P2 Rh Si -","- C416 H400 Al8 N32 P16 Rh8 Si8 -","8","1","","Hara, Naofumi; Uemura, Nao; Nakao, Yoshiaki","C2-Selective silylation of pyridines by a rhodium-aluminum complex.","Chemical communications (Cambridge, England)","2021","57","48","5957","5960","10.1039/d1cc00278c","","x-ray","0.71075","MoKα","","0.0797","0.0611","","","0.1147","0.1239","","","","","","1.094","","","","has coordinates","267036","2021-07-05","16:21:04",""
"7128299","17.1874","0.0005","7.5058","0.0003","37.0743","0.0018","90","","90","","90","","4782.8","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H23 N O2 -","- C36 H23 N O2 -","- C288 H184 N8 O16 -","8","1","","Wang, Yali; Jiang, Haiyan; Liu, Xueling; Xu, Jun; Gao, Yan; Finney, Nathaniel S.","A palate of fluorescent corannulene derivatives: synthesis, spectroscopic properties, and bio-imaging application.","Chemical communications (Cambridge, England)","2021","57","47","5818","5821","10.1039/d1cc02307a","","x-ray","1.54184","CuKα","","0.077","0.0573","","","0.1464","0.1606","","","","","","1.049","","","","has coordinates","267031","2021-07-05","16:20:01",""
"7128351","19.342","0.007","7.811","0.003","27.328","0.01","90","","90","","90","","4129","3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H23 N5 -","- C25 H23 N5 -","- C200 H184 N40 -","8","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0554","0.0432","","","0.1143","0.122","","","","","","1.065","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128434","10.432","","10.4321","0.0005","32.8983","0.0016","90","","90","","90","","3580.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 F3 N O2 -","- C20 H22 F3 N O2 -","- C160 H176 F24 N8 O16 -","8","1","","Xie, Yu-Yang; Wang, Yun-Peng; Zhao, Xiao-Jing; Wang, Ai-Fang; Chen, Zhi-Min; Tu, Yong-Qiang","Oxyallyl cation promoted dearomative semipinacol rearrangement: a facile stereodivergent synthesis of spiro-indolines with contiguous quaternary centers.","Chemical communications (Cambridge, England)","2021","57","54","6632","6635","10.1039/d1cc02033a","","","1.54178","CuKα","","0.0753","0.0663","","","0.1961","0.2081","","","","","","1.065","","","","has coordinates","268599","2021-09-06","09:38:03",""
"7128437","11.5561","0.0002","9.7596","0.0002","23.9095","0.0005","90","","90","","90","","2696.58","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl4 Mn N2 -","- C6 H16 Cl4 Mn N2 -","- C48 H128 Cl32 Mn8 N16 -","8","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54184","CuKα","","0.0437","0.039","","","0.1054","0.1194","","","","","","1.007","","","","has coordinates","268515","2021-09-06","09:04:41",""
"7128439","16.387","0.004","15.292","0.004","18.81","0.005","90","","90","","90","","4714","2","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl4 Mn N4 -","- C16 H30 Cl4 Mn N4 -","- C128 H240 Cl32 Mn8 N32 -","8","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","0.71073","MoKα","","0.0602","0.0563","","","0.1634","0.1667","","","","","","1.068","","","","has coordinates,has disorder","268515","2021-09-06","09:04:41",""
"7128459","15.6043","0.0002","10.3677","0.0002","21.3194","0.0005","90","","90","","90","","3449.07","0.11","100.05","0.1","100.05","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-pyrenylferrocene","","- C26 H18 Fe -","- C26 H18 Fe -","- C208 H144 Fe8 -","8","1","","Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul","Fusing pyrene and ferrocene into a chiral, redox-active triangle.","Chemical communications (Cambridge, England)","2021","57","54","6660","6663","10.1039/d1cc02191e","","x-ray","0.71073","MoKα","","0.0776","0.044","","","0.0821","0.0967","","","","","","1.053","","","","has coordinates","268593","2021-09-06","09:36:19",""
"7128461","20.87","0.0001","11.3826","0.0001","22.1496","0.0001","90","","90","","90","","5261.75","0.06","99.7","0.6","99.7","0.6","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,1'-Bis(2-pyrenyl)ferrocene","","- C42 H26 Fe -","- C42 H26 Fe -","- C336 H208 Fe8 -","8","1","","Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul","Fusing pyrene and ferrocene into a chiral, redox-active triangle.","Chemical communications (Cambridge, England)","2021","57","54","6660","6663","10.1039/d1cc02191e","","x-ray","0.71073","MoKα","","0.035","0.0313","","","0.0814","0.0839","","","","","","1.059","","","","has coordinates","268593","2021-09-06","09:36:19",""
"7128522","11.0279","0.0012","7.6848","0.0009","24.244","0.003","90","","90","","90","","2054.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cl F O2 -","- C10 H10 Cl F O2 -","- C80 H80 Cl8 F8 O16 -","8","1","","Hao, Fei; Shang, Xueyun; Liu, Zhenwei; Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang","Rh-catalyzed tunable defluorinative borylation.","Chemical communications (Cambridge, England)","2021","57","58","7124","7127","10.1039/d1cc02079j","","","0.71073","MoKα","","0.0905","0.0826","","","0.2336","0.2415","","","","","","1.116","","","","has coordinates,has disorder","268514","2021-09-06","09:04:21",""
"7128574","9.0996","0.0003","14.8381","0.0005","29.5722","0.0008","90","","90","","90","","3992.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 N O Si -","- C23 H31 N O Si -","- C184 H248 N8 O8 Si8 -","8","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.047","0.0409","","","0.1093","0.1159","","","","","","1.036","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128585","11.4056","0.0002","22.818","0.0004","25.3841","0.0005","90","","90","","90","","6606.3","0.2","99.98","0.1","99.98","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H25 Cl2 Fe N4 O2 -","- C30 H25 Cl2 Fe N4 O2 -","- C240 H200 Cl16 Fe8 N32 O16 -","8","1","","Margonis, Caroline M.; Ho, Marissa; Travis, Benjamin D.; Brennessel, William W.; McNamara, William R.","Iron polypyridyl complex adsorbed on carbon surfaces for hydrogen generation.","Chemical communications (Cambridge, England)","2021","57","62","7697","7700","10.1039/d1cc02131a","","x-ray","1.54184","CuKα","","0.0724","0.0556","","","0.1556","0.1695","","","","","","1.049","","","","has coordinates,has disorder","268556","2021-09-06","09:16:49",""
"7128588","13.5619","0.0004","16.3532","0.0004","39.3827","0.0009","90","","90","","90","","8734.3","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H59 Cl2 Fe N9 O8 -","- C34.0003 H59.0009 Cl2 Fe N9.0003 O8 -","- C272.002 H472.007 Cl16 Fe8 N72.0024 O64 -","8","1","","Song, Seungjin; Lee, Junseong; Choi, Jun-Ho; Seo, Junhyeok","Electrochemical behaviors of a pincer-type NNN-Fe complex and catalytic H<sub>2</sub> evolution activity.","Chemical communications (Cambridge, England)","2021","57","61","7497","7500","10.1039/d1cc03050g","","","0.71073","MoKα","","0.1158","0.057","","","0.1251","0.1541","","","","","","1.005","","","","has coordinates,has disorder","268498","2021-09-06","08:56:08",""
"7128595","18.644","0.004","9.1535","0.0018","20.027","0.004","90","","90","","90","","3417.8","1.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C144 H152 F8 N16 O16 S8 -","8","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0859","0.0511","","","0.1005","0.1105","","","","","","0.958","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128598","9.348","0.005","8.856","0.005","25.174","0.013","90","","90","","90","","2084.1","1.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F N O -","- C12 H14 F N O -","- C96 H112 F8 N8 O8 -","8","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0782","0.0594","","","0.1462","0.1565","","","","","","0.99","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128600","9.503","0.006","9.161","0.006","24.001","0.015","90","","90","","90","","2089","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cl F N O -","- C11 H11 Cl F N O -","- C88 H88 Cl8 F8 N8 O8 -","8","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.1401","0.0865","","","0.1974","0.2267","","","","","","1.037","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128630","14.0255","0.0007","16.7687","0.0009","21.8639","0.0015","90","","90","","90","","5142.2","0.5","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H41 O2 Y -","- C26 H41 O2 Y -","- C208 H328 O16 Y8 -","8","1","","Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.","Chemical communications (Cambridge, England)","2021","57","64","7918","7921","10.1039/d1cc03024h","","","0.71073","MoKα","","0.0627","0.0341","","","0.0714","0.0809","","","","","","1.006","","","","has coordinates,has disorder","268538","2021-09-06","09:10:48",""
"7128659","7.3289","0.0006","17.1125","0.0016","28.191","0.002","90","","90","","90","","3535.6","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F2 N O2 -","- C20 H14 Cl F2 N O2 -","- C160 H112 Cl8 F16 N8 O16 -","8","1","","Wang, Shi-Chao; Liu, Peng-Yu; Chen, Yi-Xin; Shen, Zheng-Jia; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Copper/silver <i>co</i>-mediated three-component bicyclization for accessing indeno[1,2-<i>c</i>]azepine-3,6-diones.","Chemical communications (Cambridge, England)","2021","57","64","7966","7969","10.1039/d1cc02973h","","","0.71073","MoKα","","0.1179","0.0654","","","0.1465","0.1649","","","","","","1.075","","","","has coordinates","268530","2021-09-06","09:09:20",""
"7128678","17.915","0.003","20.056","0.004","22.245","0.004","90","","90","","90","","7993","3","173","2","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H23 B F15 O P -","- C46 H23 B F15 O P -","- C368 H184 B8 F120 O8 P8 -","8","1","","Torres, Lucas C.; Dobrovetsky, Roman; Caputo, Christopher B.","Allenic phosphonium borate zwitterions via a phosphonium allenylidene intermediate.","Chemical communications (Cambridge, England)","2021","57","67","8272","8275","10.1039/d1cc03249f","","","0.71073","MoKα","","0.0585","0.0416","","","0.107","0.1229","","","","","","1.08","","","","has coordinates","268603","2021-09-06","09:38:31",""
"7128699","32.854","0.006","5.8699","0.0012","34.286","0.006","90","","90","","90","","6612","2","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H20 O -","- C22 H20 O -","- C352 H320 O16 -","16","2","","Yang, Shuo; Jiang, Wei-Tao; Xiao, Bin","Tertiary cyclopropyl carbagermatranes: synthesis and cross-coupling.","Chemical communications (Cambridge, England)","2021","57","66","8143","8146","10.1039/d1cc02930d","","","1.34139","GaKα","","0.2265","0.1063","","","0.2407","0.3178","","","","","","0.977","","","","has coordinates","268547","2021-09-06","09:13:23",""
"7128701","28.8046","0.0005","28.1999","0.0006","29.2972","0.0005","90","","90","","90","","23797.7","0.8","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C132.5 H166 K2 N4 O8 V2 -","- C122 H154 K2 N4 O8 V2 -","- C976 H1232 K16 N32 O64 V16 -","8","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","0.71073","MoKα","","0.161","0.0882","","","0.1676","0.1966","","","","","","1.026","","","","has coordinates,has disorder","268607","2021-09-06","09:39:22",""
"7128739","4.768","0.002","18.775","0.009","31.234","0.015","90","","90","","90","","2796","2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Eupomatenoid-6","(E)-4-[3-methyl-5-(prop-1-en-1-yl)benzofuran-2-yl]phenol","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Fujita, Takeshi; Morioka, Ryutaro; Fukuda, Takuya; Suzuki, Naoto; Ichikawa, Junji","Acid-mediated intermolecular C-F/C-H cross-coupling of 2-fluorobenzofurans with arenes: synthesis of 2-arylbenzofurans.","Chemical communications (Cambridge, England)","2021","57","68","8500","8503","10.1039/d1cc03453g","","","0.71073","MoKα","","0.1546","0.0884","","","0.1791","0.204","","","","","","1.079","","","","has coordinates","268565","2021-09-06","09:29:31",""
"7128748","11.0213","0.0005","11.8221","0.0005","18.3959","0.0007","90","","90","","90","","2396.89","0.17","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H37 P Si4 -","- C17 H37 P Si4 -","- C68 H148 P4 Si16 -","4","0.5","","Fischer, Lukas; Wossidlo, Friedrich; Frost, Daniel; Coles, Nathan T.; Steinhauer, Simon; Riedel, Sebastian; Müller, Christian","One-step methylation of aromatic phosphorus heterocycles: synthesis and crystallographic characterization of a 1-methyl-phosphininium salt.","Chemical communications (Cambridge, England)","2021","57","75","9522","9525","10.1039/d1cc03892c","","","0.71073","MoKα","","0.0375","0.0326","","","0.0808","0.0849","","","","","","1.245","","","","has coordinates,has disorder","269644","2021-10-06","13:56:56",""
"7128752","12.2994","0.0004","9.158","0.0003","26.4451","0.001","90","","90","","90","","2978.72","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'ethyl (Z)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate'","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0435","0.0397","","","0.1035","0.106","","","","","","1.022","","","","has coordinates","269603","2021-10-06","13:41:52",""
"7128875","19.621","0.0013","7.3648","0.0005","25.7732","0.0017","90","","90","","90","","3724.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C192 H152 N8 O24 -","8","1","","Prasad, Budaganaboyina; Phanindrudu, Mandalaparthi; Nanubolu, Jagadeesh Babu; Kamal, Ahmed; Tiwari, Dharmendra Kumar","Stereoselective synthesis of (<i>Z</i>)-1,3-bis(α,β-unsaturated carbonyl)-isoindolines from aldehydes and phenacyl azides under metal free conditions.","Chemical communications (Cambridge, England)","2021","57","75","9542","9545","10.1039/d1cc02884g","","","0.71073","MoKα","","0.0894","0.0521","","","0.1169","0.1352","","","","","","1.037","","","","has coordinates","269638","2021-10-06","13:55:46",""
"7128934","14.9375","0.0005","12.7705","0.0004","31.6136","0.001","90","","90","","90","","6030.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H43 Cl N4 Pt -","- C31 H43 Cl N4 Pt -","- C248 H344 Cl8 N32 Pt8 -","8","1","","He, Fengkai; Gourlaouen, Christophe; Pang, Huan; Braunstein, Pierre","Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt<sub>4</sub>(μ-H)(cod)<sub>4</sub>]BF<sub>4</sub>.","Chemical communications (Cambridge, England)","2021","57","78","10039","10042","10.1039/d1cc03673d","","","0.71073","MoKα","","0.0537","0.0332","","","0.0701","0.0796","","","","","","1.07","","","","has coordinates,has disorder","269604","2021-10-06","13:42:15",""
"7128942","16.0974","0.001","11.1555","0.0008","17.8712","0.0011","90","","90","","90","","3209.2","0.4","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Cl N3 O2 S -","- C15 H12 Cl N3 O2 S -","- C120 H96 Cl8 N24 O16 S8 -","8","1","","Zheng, Long; Wang, Zhanjing; Li, Chen; Wu, Yong; Liu, Zhaohong; Ning, Yongquan","The azidosulfonylation of terminal alkynes leading to β-azidovinyl sulfones.","Chemical communications (Cambridge, England)","2021","57","77","9874","9877","10.1039/d1cc04268h","","","0.71073","MoKα","","0.126","0.0592","","","0.131","0.1603","","","","","","1.049","","","","has coordinates","269628","2021-10-06","13:50:23",""
"7128988","19.077","0.007","8.652","0.003","23.32","0.008","90","","90","","90","","3849","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C192 H168 N24 O8 -","8","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0995","0.061","","","0.1303","0.1456","","","","","","1.049","","","","has coordinates","269259","2021-09-23","21:57:27",""
"7129015","21.0876","0.0003","21.1132","0.0002","29.7036","0.0003","90","","90","","90","","13224.8","0.3","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H79 As2 Mn N12 O19.5 -","- C60 H79 As2 Mn N12 O19.5 -","- C480 H632 As16 Mn8 N96 O156 -","8","1","","Shylin, Sergii I.; Pogrebetsky, James L.; Husak, Alina O.; Bykov, Dmytro; Mokhir, Andriy; Hampel, Frank; Shova, Sergiu; Ozarowski, Andrew; Gumienna-Kontecka, Elzbieta; Fritsky, Igor O.","Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes.","Chemical communications (Cambridge, England)","2021","57","84","11060","11063","10.1039/d1cc04870h","","x-ray","1.54184","CuKα","","0.0496","0.0436","","","0.1146","0.1215","","","","","","1.03","","","","has coordinates","270391","2021-11-06","18:56:29",""
"7129036","7.325","0.0004","12.3657","0.0005","27.819","0.0012","90","","90","","90","","2519.8","0.2","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Br N5 -","- C13 H12 Br N5 -","- C104 H96 Br8 N40 -","8","1","","Zhao, Wanqiu; Zhang, Cheng; Zhong, Pengzhen; Zhou, Wei; Zhang, Chen; Cui, Dong-Mei","Diversity-oriented synthesis of imidazo[1,2-<i>a</i>][1,3,5]triazine derivatives from 2-amine-[1,3,5]triazines with ketones.","Chemical communications (Cambridge, England)","2021","57","82","10715","10718","10.1039/d1cc04294g","","","0.71073","MoKα","","0.0406","0.0375","","","0.0835","0.0856","","","","","","1.076","","","","has coordinates","270403","2021-11-06","19:02:09",""
"7129037","11.231","0.002","7.9355","0.0016","39.428","0.008","90","","90","","90","","3514","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N5 O2 -","- C21 H17 N5 O2 -","- C168 H136 N40 O16 -","8","1","","Zhao, Wanqiu; Zhang, Cheng; Zhong, Pengzhen; Zhou, Wei; Zhang, Chen; Cui, Dong-Mei","Diversity-oriented synthesis of imidazo[1,2-<i>a</i>][1,3,5]triazine derivatives from 2-amine-[1,3,5]triazines with ketones.","Chemical communications (Cambridge, England)","2021","57","82","10715","10718","10.1039/d1cc04294g","","","0.71073","MoKα","","0.0514","0.0406","","","0.1039","0.1178","","","","","","1.139","","","","has coordinates","270403","2021-11-06","19:02:10",""
"7129081","19.6958","0.0003","18.9803","0.0003","24.0171","0.0005","90","","90","","90","","8978.4","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H67 I2 N2 Nd O4 -","- C41 H67 I2 N2 Nd O4 -","- C328 H536 I16 N16 Nd8 O32 -","8","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.045","0.0309","","","0.0691","0.075","","","","","","1.071","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129083","18.831","0.004","19.561","0.004","24.134","0.005","90","","90","","90","","8890","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H67 Gd I2 N2 O4 -","- C41 H67 Gd I2 N2 O4 -","- C328 H536 Gd8 I16 N16 O32 -","8","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0731","0.0679","","","0.1473","0.149","","","","","","1.137","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129091","8.8671","0.0002","22.1194","0.0007","38.8787","0.0011","90","","90","","90","","7625.5","0.4","173","0.14","173","0.14","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H51 Al N2 O2 -","- C37 H51 Al N2 O2 -","- C296 H408 Al8 N16 O16 -","8","1","","Brown, Ryan K.; Hooper, Thomas N.; Rekhroukh, Feriel; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark R.","Alumination of aryl methyl ethers: switching between sp<sup>2</sup> and sp<sup>3</sup> C-O bond functionalisation with Pd-catalysis.","Chemical communications (Cambridge, England)","2021","57","88","11673","11676","10.1039/d1cc05408b","","x-ray","0.71073","MoKα","","0.0768","0.0552","","","0.1311","0.1434","","","","","","1.045","","","","has coordinates","270408","2021-11-06","19:19:05",""
"7129139","12.0436","0.0014","11.959","0.0014","20.842","0.002","90","","90","","90","","3001.9","0.6","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al2 Br8 Sm -","- Al2 Br8 Sm -","- Al16 Br64 Sm8 -","8","1","","Schäfer, Thomas C.; Sorg, Jens; Sedykh, Alexander E.; Müller-Buschbaum, Klaus","Red emitting Sm(II) phosphors: Thermally switchable Luminescence in Sm(AlX4)2 (X = Cl, Br) by 5d-4f and intra-4f transitions","Chemical Communications","2021","","","","","10.1039/D1CC05357D","","","0.71073","MoKα","","0.0639","0.0352","","","0.0647","0.0727","","","","","","1.028","","","","has coordinates","270025","2021-10-19","22:01:51",""
"7129144","13.5471","0.001","7.5236","0.0005","18.4113","0.0014","90","","90","","90","","1876.5","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-Dimethyl-3-(3-thiophenyl)-2,4-oxazolidinedione","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C72 H72 N8 O24 S8 -","8","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0452","0.0326","","","0.0753","0.0804","","","","","","1.0526","","","","has coordinates,has disorder","270026","2021-10-19","22:03:02",""
"7129225","14.2005","0.0002","14.0514","0.0002","33.8218","0.0004","90","","90","","90","","6748.7","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C69 H12 O -","- C69 H12 O -","- C552 H96 O8 -","8","1","","Wang, Guan-Wu; Liu, Zhan; Yin, Zheng-Chun; Lu, Wen-Qiang; Zhou, Dian-Bing","Unexpected Diels-Alder reaction of [60]fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates","Chemical Communications","2021","","","","","10.1039/D1CC05749A","","","1.54184","CuKα","","0.0916","0.086","","","0.1954","0.1991","","","","","","1.091","","","","has coordinates","270599","2021-11-11","22:57:30",""
"7129227","12.19847","0.00017","8.86563","0.00012","25.6419","0.0004","90","","90","","90","","2773.1","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Wang, Guan-Wu; Liu, Zhan; Yin, Zheng-Chun; Lu, Wen-Qiang; Zhou, Dian-Bing","Unexpected Diels-Alder reaction of [60]fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates","Chemical Communications","2021","","","","","10.1039/D1CC05749A","","x-ray","1.54184","CuKα","","0.0466","0.044","","","0.1209","0.1242","","","","","","1.032","","","","has coordinates","270599","2021-11-11","22:57:31",""
"7129304","14.4688","0.0007","8.0297","0.0005","46.845","0.003","90","","90","","90","","5442.5","0.6","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H36 O6 -","- C32 H36 O6 -","- C256 H288 O48 -","8","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","x-ray","1.54184","CuKα","","0.1782","0.0917","","","0.2347","0.3225","","","","","","1","","","","has coordinates","270863","2021-11-24","23:02:48",""
"7129307","18.1042","0.0001","8.5594","0.0001","21.0097","0.0001","90","","90","","90","","3255.69","0.04","103.15","","103.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N4 O3 S -","- C16 H16 N4 O3 S -","- C128 H128 N32 O24 S8 -","8","1","","Yamashiro, Toshiki; Abe, Takumi; Tanioka, Masaru; Kamino, Shinichiro; Sawada, Daisuke","cis-3-Azido-2-methoxyindolines as safe and stable precursors to overcome the instability of fleeting 3-azidoindoles","Chemical Communications","2021","","","","","10.1039/D1CC06033C","","x-ray","1.54184","CuKα","","0.0294","0.0287","","","0.0775","0.078","","","","","","1.049","","","","has coordinates","270875","2021-11-25","22:56:35",""
"7129357","19.048","0.002","11.2539","0.0012","25.727","0.003","90","","90","","90","","5515","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H72 B2 Cl2 Ge2 Si4 -","- C52 H72 B2 Cl2 Ge2 Si4 -","- C208 H288 B8 Cl8 Ge8 Si16 -","4","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0365","0.0282","","","0.0716","0.0756","","","","","","1.02","","","","has coordinates,has disorder","271273","2021-12-08","22:57:32",""
"7129358","18.8007","0.0008","11.4507","0.0005","25.8667","0.0011","90","","90","","90","","5568.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B Cl Si2 Sn -","- C26 H36 B Cl Si2 Sn -","- C208 H288 B8 Cl8 Si16 Sn8 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0204","0.0182","","","0.0488","0.0503","","","","","","1.095","","","","has coordinates","271273","2021-12-08","22:57:32",""
"7129394","19.0371","0.0005","12.9687","0.0003","34.8721","0.0012","90","","90","","90","","8609.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H52 B4 Fe N2 -","- C48 H52 B4 Fe N2 -","- C384 H416 B32 Fe8 N16 -","8","1","","Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.","Unlocking Metal Coordination of Diborylamides through Ring Constraints","Chemical Communications","2022","","","","","10.1039/D1CC06458D","","","0.71073","MoKα","","0.0561","0.0491","","","0.1183","0.1222","","","","","","1.088","","","","has coordinates","271480","2021-12-16","22:56:02",""
"7129405","6.9337","0.0001","7.0937","0.0002","18.3067","0.0005","90","","90","","90","","900.43","0.04","100","2","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H B F3 K -","- C2 H B F3 K -","- C16 H8 B8 F24 K8 -","8","1","","Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik","Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains","Chemical Communications","2022","","","","","10.1039/D1CC06393F","","x-ray","1.54184","CuKα","","0.0277","0.026","","","0.0687","0.07","","","","","","1.084","","","","has coordinates","271505","2021-12-17","22:55:08",""
"7129428","16.7035","0.001","15.5342","0.0009","16.8091","0.001","90","","90","","90","","4361.5","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 B2 Br N7 S -","- C15 H23 B2 Br N7 S -","- C120 H184 B16 Br8 N56 S8 -","8","1","","Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg","Derivatization of an especially electron-rich diborane","Chemical Communications","2022","","","","","10.1039/D1CC06359F","","x-ray","0.71073","MoKα","","0.1105","0.094","","","0.2102","0.2208","","","","","","1.122","","","","has coordinates,has disorder","271516","2021-12-18","22:54:49",""
"7129528","10.15647","0.00011","11.03134","0.00015","20.7789","0.0003","90","","90","","90","","2328.06","0.05","100","0.1","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","","1.54184","CuKα","","0.045","0.0416","","","0.1058","0.1084","","","","","","1.069","","","","has coordinates,has disorder","271974","2022-01-10","22:51:08",""
"7129553","7.168","0.00011","22.8606","0.0004","23.0265","0.0005","90","","90","","90","","3773.23","0.12","296.75","0.1","296.75","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 F2 N3 -","- C24 H15 F2 N3 -","- C192 H120 F16 N24 -","8","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.0746","0.0662","","","0.1695","0.1818","","","","","","1.048","","","","has coordinates","272009","2022-01-12","22:59:35",""
"7129587","19.2195","0.0012","12.1823","0.0009","20.1517","0.001","90","","90","","90","","4718.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H36 B18 Co N O2 -","- C10 H36 B18 Co N O2 -","- C80 H288 B144 Co8 N8 O16 -","8","1","","El Anwar, Suzan; Pazderová, Lucia; Bavol, Dmytro; Bakardjiev, Mario; Ruzickova, Zdenka; Horáček, Ondřej; Fojt, Lukáš; Kucera, Radim; Gruner, Bohumir","Structurally rigidified cobalt bis(dicarbollide) derivatives, a chiral platform for labelling of biomolecules and new materials","Chemical Communications","2022","","","","","10.1039/D1CC06979A","","","0.71073","MoKα","","0.1086","0.0637","","","0.1296","0.149","","","","","","1.064","","","","has coordinates,has disorder","272106","2022-01-18","22:49:09",""
"7129610","11.3275","0.0004","8.1766","0.0003","34.8684","0.0013","90","","90","","90","","3229.5","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","TN-Napt","","","- C20 H20 S2 -","- C20 H20 S2 -","- C160 H160 S16 -","8","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.1255","0.0586","","","0.0928","0.1108","","","","","","1.007","","","","has coordinates,has disorder","272225","2022-01-25","22:50:50",""
"7129667","15.223","0.003","10.344","0.002","19.924","0.004","90","","90","","90","","3137.4","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","1","","Li, Hao; He, Yishu; Zhang, Di; Yang, Li; Zhang, Jiarui; Long, Rui-ling; Lu, Ji; Wei, Jun; Yang, Lin; Wei, Siping; Yi, Dong; Zhang, Zhijie; Fu, Qiang","Hydrogen bond, as a protecting group, enables the photocatalytic [2+2] cycloaddition of redox-active aliphatic amine-containing indole derivatives","Chemical Communications","2022","","","","","10.1039/D1CC06935G","","","0.71073","MoKα","","0.0617","0.0472","","","0.1352","0.1509","","","","","","1.086","","","","has coordinates","272797","2022-02-04","22:51:37",""
"7129700","16.6463","0.0003","25.7355","0.0005","28.7503","0.0006","90","","90","","90","","12316.7","0.4","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C72 H144 Co2 Ge17 K4 N8 Ni O24 -","- C72 H144 Co2 Ge17 K4 N8 Ni O24 -","- C288 H576 Co8 Ge68 K16 N32 Ni4 O96 -","4","0.5","","Xu, Hong-Lei; Qiao, Lei; Sun, Zhong-Ming","[Co2@(Ge17Ni)]4−: The First Edge-Sharing Double-Cage Endohedral Germanide","Chemical Communications","2022","","","","","10.1039/D1CC06038D","","x-ray","1.54184","CuKα","","0.1038","0.0771","","","0.2221","0.2433","","","","","","1.088","","","","has coordinates,has disorder","272890","2022-02-09","22:57:55",""
"7129735","9.2952","0.0003","15.1908","0.0006","21.6017","0.0008","90","","90","","90","","3050.19","0.19","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O -","- C20 H19 N O -","- C160 H152 N8 O8 -","8","1","","Mao, Ben; Zhang, Xiao-Yu; Wei, Yin; Shi, Min","Visible-light mediated intramolecular radical cyclizations of α-brominated amide-tethered alkylidenecyclopropanes","Chemical Communications","2022","","","","","10.1039/D1CC07136J","","","0.71073","MoKα","","0.0447","0.037","","","0.0909","0.097","","","","","","1.027","","","","has coordinates","273042","2022-02-19","22:53:28",""
"7129815","7.7673","0.0014","17.231","0.003","19.818","0.004","90","","90","","90","","2652.4","0.9","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br N2 S2 Zn -","- C11 H9 Br N2 S2 Zn -","- C88 H72 Br8 N16 S16 Zn8 -","8","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0453","0.0309","","","0.0697","0.0757","","","","","","1.041","","","","has coordinates","273620","2022-03-10","23:02:21",""
"7129839","20.8857","0.0012","15.8426","0.001","22.4748","0.0012","90","","90","","90","","7436.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H56 B2 Ru2 -","- C38 H56 B2 Ru2 -","- C304 H448 B16 Ru16 -","8","1","","Wei, Yongliang; Wang, Tongdao","From trihydroborates to bisborylenes: a route to dinuclear bisborylene complexes.","Chemical communications (Cambridge, England)","2022","58","29","4659","4662","10.1039/d2cc01078j","","","0.71073","MoKα","","0.0353","0.0233","","","0.0539","0.0567","","","","","","1.051","","","","has coordinates","274951","2022-05-05","20:21:35",""
"7129845","17.1359","0.001","18.0068","0.001","18.8414","0.0011","90","","90","","90","","5813.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H25 F2 I N2 Pt -","- C36 H25 F2 I N2 Pt -","- C288 H200 F16 I8 N16 Pt8 -","8","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Phosphorescent biaryl platinum(IV) complexes obtained through double metalation of dibenzoiodolium ions.","Chemical communications (Cambridge, England)","2022","58","28","4532","4535","10.1039/d2cc01018f","","","0.71073","MoKα","","0.0242","0.0179","","","0.037","0.0395","","","","","","1.065","","","","has coordinates","274957","2022-05-05","20:23:01",""
"7129878","7.9796","0.0002","18.2987","0.0004","22.0157","0.0006","90","","90","","90","","3214.65","0.14","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O -","- C22 H18 O -","- C176 H144 O8 -","8","1","","Xin, Xiaolan; Liu, Yilin; Zhou, Lu; Li, You; Luo, Han; Liu, Lei; Bai, Ruopeng; Lan, Yu; Li, Baosheng","Regiospecific constructing m-alkenyl benzaldehyde from β-bromoenal and vinyl borate","Chemical Communications","2022","","","","","10.1039/D2CC01441F","","","0.71073","MoKα","","0.0761","0.0492","","","0.1114","0.1241","","","","","","1.069","","","","has coordinates","273827","2022-03-19","22:53:47",""
"7129881","24.6858","0.0007","14.8258","0.0006","30.0949","0.0009","90","","90","","90","","11014.3","0.6","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiCz-1","BiCz-1","","- C61 H73 Cl3 N2 -","- C61 H73 Cl3 N2 -","- C488 H584 Cl24 N16 -","8","1","","Shikita, So; Harada, Takunori; Yasuda, Takuma","Axially chiral 1,1’-bicarbazolyls with near-ultraviolet circularly polarized luminescence","Chemical Communications","2022","","","","","10.1039/D2CC00936F","","x-ray","1.54184","CuKα","","0.1055","0.0886","","","0.2845","0.2999","","","","","","1.214","","","","has coordinates","273873","2022-03-21","22:55:52",""
"7129931","15.847","0.003","15.797","0.003","23.662","0.005","90","","90","","90","","5923","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O -","- C15 H23 N3 O -","- C240 H368 N48 O16 -","16","2","","Tanaka, Katsumasa; Hattori, Hiroshi; Yabe, Ryota; Nishimura, Takahiro","Ir-catalyzed cyclization of α,ω-dienes with an N-methyl group via two C–H activation steps","Chemical Communications","2022","","","","","10.1039/D2CC01275H","","","0.7107","MoKα","","0.0966","0.085","","","0.2246","0.2361","","","","","","1.005","","","","has coordinates,has disorder","274402","2022-04-06","21:54:12",""
"7130042","23.276","0.003","21.164","0.003","29.506","0.004","90","","90","","90","","14535","3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H88 F12 Mn N14 O2 P2 -","- C70 H88 F12 Mn N14 O2 P2 -","- C560 H704 F96 Mn8 N112 O16 P16 -","8","1","","Wittwer, Benjamin; Dickmann, Nicole; Berg, Stephan; Leitner, Daniel; Tesi, Lorenzo; Hunger, David; Gratzl, Raphael; van Slageren, Joris; Neuman, Nicolas I.; Munz, Dominik; Hohloch, Stephan","A mesoionic carbene complex of manganese in five oxidation states","Chemical Communications","2022","","","","","10.1039/D2CC00097K","","","0.71073","MoKα","","0.1032","0.0568","","","0.1346","0.163","","","","","","1.067","","","","has coordinates","274854","2022-05-03","21:54:17",""
"7130046","16.624","0.0005","9.8728","0.0003","19.5796","0.0006","90","","90","","90","","3213.51","0.17","293","14","293","14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Nunewar, Saiprasad; Kumar, Sanjeev; Priyanka, Pendam; Girase, Pradeep; Kanchupalli, Vinaykumar","The solvent-controlled Rh(iii)-catalyzed switchable [4+2] annulation of 2-arylIndoles with iodonium ylides","Chemical Communications","2022","","","","","10.1039/D2CC01386J","","x-ray","0.71073","MoKα","","0.0703","0.0452","","","0.1107","0.1226","","","","","","1.0241","","","","has coordinates","274890","2022-05-04","21:53:53",""
"7130052","12.013","0.0014","6.5987","0.0007","36.445","0.004","90","","90","","90","","2889","0.6","193","","193","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Cl2 -","- C19 H12 Cl2 -","- C152 H96 Cl16 -","8","1","","Wu, Yu; Wu, Feng-Wei; Zhou, Kun; Li, Yiming; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Rapid access to 9-arylfluorene and spirobifluorene through Pd-catalysed C–H arylation/deaminative annulation","Chemical Communications","2022","","","","","10.1039/D2CC01355J","","x-ray","1.34139","GaKα","","0.0672","0.0516","","","0.1414","0.1536","","","","","","1.081","","","","has coordinates","274893","2022-05-04","21:56:11",""
"7130087","15.8584","0.0015","17.179","0.0015","26.761","0.002","90","","90","","90","","7290.5","1.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 Sb2 -","- C40 H52 Sb2 -","- C320 H416 Sb16 -","8","1","","Gehlhaar, Alexander; Weinert, Hanns Micha; Wölper, Christoph; Semleit, Nina; Haberhauer, Gebhard; Schulz, Stephan","Bisstibane−Distibane conversion via consecutive single-electron oxidation and reduction reaction","Chemical Communications","2022","","","","","10.1039/D2CC01986H","","","1.54178","CuKα","","0.0621","0.061","","","0.1605","0.1613","","","","","","1.135","","","","has coordinates,has disorder","275377","2022-05-12","22:00:11",""
"7130109","7.8016","0.0002","17.7157","0.0004","20.7203","0.0004","90","","90","","90","","2863.77","0.11","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N2 -","- C32 H46 N2 -","- C128 H184 N8 -","4","0.5","","Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland","Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC)","Chemical Communications","2022","","","","","10.1039/D2CC01476A","","","1.54178","CuKα","","0.0597","0.0544","","","0.1606","0.1683","","","","","","1.065","","","","has coordinates,has disorder","275522","2022-05-18","21:56:31",""
"7130185","22.4043","0.0004","17.8222","0.0003","22.5974","0.0005","90","","90","","90","","9023","0.3","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Al K N2 O2 Si2 -","- C46 H66 Al K N2 O2 Si2 -","- C368 H528 Al8 K8 N16 O16 Si16 -","8","1","","Liu, Han-Ying; Hill, Michael S.; Mahon, Mary F.","Diverse reactivity of an Al(I)-centred anion towards ketones.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc02333d","","x-ray","1.54184","CuKα","","0.0571","0.0386","","","0.0875","0.0959","","","","","","1.015","","","","has coordinates","275723","2022-06-01","22:02:18",""
"7130216","16.2539","0.0004","12.548","0.0003","27.7949","0.0006","90","","90","","90","","5668.9","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 Au Cl4 N -","- C30 H28 Au Cl4 N -","- C240 H224 Au8 Cl32 N8 -","8","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","","0.0275","0.0187","","","0.0406","0.0438","","","","","","1.018","","","","has coordinates","275941","2022-06-09","21:55:07",""
"7130230","12.1091","0.0002","13.4501","0.0002","43.2055","0.0009","90","","90","","90","","7036.8","0.2","103.15","","103.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(4-nitrophenyl)perylene","1-(4-nitrophenyl)perylene","","- C52 H30 N2 O4 -","- C52 H30 N2 O4 -","- C416 H240 N16 O32 -","8","1","","Tanioka, Masaru; Kuromiya, Ayako; Ueda, Rina; Obata, Tohru; Muranaka, Atsuya; Uchiyama, Masanobu; Kamino, Shinichiro","Bridged eosin Y: A visible and near-infrared photoredox catalyst","Chemical Communications","2022","","","","","10.1039/D2CC02907C","","x-ray","1.54184","CuKα","","0.0639","0.0583","","","0.1379","0.141","","","","","","1.156","","","","has coordinates","276050","2022-06-15","21:53:56",""
"7130231","7.5247","0.0005","12.9354","0.0009","22.6658","0.0015","90","","90","","90","","2206.2","0.3","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H5 F6 N2 P -","- C10 H5 F6 N2 P -","- C80 H40 F48 N16 P8 -","8","1","","Dettling, Lea; Papke, Martin; Sklorz, Julian; Buzsaki, Daniel; Kelemen, Zsolt; Weber, Manuela; Nyulaszi, Laszlo; Muller, Christian","A New Access to Diazaphospholes via Cycloaddition-Cycloreversion Reactions on Triazaphospholes","Chemical Communications","2022","","","","","10.1039/D2CC02269A","","","0.71073","MoKα","","0.0514","0.044","","","0.1017","0.1047","","","","","","1.171","","","","has coordinates","276051","2022-06-15","21:55:10",""
"7130279","26.011","0.005","8.8798","0.0016","29.636","0.005","90","","90","","90","","6845","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H39 La N4 O9 -","- C33 H39 La N4 O9 -","- C264 H312 La8 N32 O72 -","8","1","","Pan, Ting; Wu, Peng; Zhang, Weina; Shen, Yu; Huo, Fengwei","Multi-responsive luminescent coordination polymer nanosheets for selective detection of nitroaromatics","Chemical Communications","2022","","","","","10.1039/D2CC01153K","","","0.71073","MoKα","","0.0544","0.0285","","","0.0612","0.0696","","","","","","1.062","","","","has coordinates,has disorder","276198","2022-06-23","21:58:10",""
"7130281","8.3081","0.0005","7.9162","0.0005","44.227","0.002","90","","90","","90","","2908.7","0.3","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N -","- C19 H19 N -","- C152 H152 N8 -","8","1","","Wang, Zhen-Hua; Wei, Lei; Jiao, Ke-Jin; Ma, Cong; Mei, Tian-Sheng","Nickel-Catalyzed Decarboxylative Cross-Coupling of Indole-3-acetic Acids with Aryl Bromides by Convergent Paired Electrolysis","Chemical Communications","2022","","","","","10.1039/D2CC02641D","","","0.71073","MoKα","","0.0566","0.0439","","","0.1058","0.1159","","","","","","1.042","","","","has coordinates","276199","2022-06-23","21:58:46",""
"7130310","28.3005","0.0004","47.5333","0.001","51.9586","0.0007","90","","90","","90","","69896","2","135","","135","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","634","","- C267 H259 F13 N42 O42 -","- C267 H259 F13 N42 O42 -","- C2136 H2072 F104 N336 O336 -","8","1","","Koehler, Victor; Gauthier, Maxime; Yao, Chenhao; Fournel-Marotte, Karine; Waeles, Philip; Kauffmann, Brice; Huc, Ivan; Coutrot, Frédéric; Ferrand, Yann","[3]Foldarotaxane-Mediated Synthesis of an Improbable [2]Rotaxane","Chemical Communications","2022","","","","","10.1039/D2CC03066G","","x-ray","1.54178","CuKα","","0.1333","0.0953","","","0.2948","0.3297","","","","","","1.159","","","","has coordinates,has disorder","276408","2022-06-29","21:57:08",""
"7130381","18.1111","0.0001","19.7951","0.0001","21.8934","0.0001","90","","90","","90","","7849.03","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H33 B2 F15 N3 O2 -","- C41 H33 B2 F15 N3 O2 -","- C328 H264 B16 F120 N24 O16 -","8","1","","Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia","Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide","Chemical Communications","2022","","","","","10.1039/D2CC03413A","","x-ray","1.54178","CuKα","","0.0329","0.0307","","","0.0799","0.0816","","","","","","1.034","","","","has coordinates,has disorder","276909","2022-07-23","22:06:06",""
"7130418","18.0493","0.001","8.6789","0.0006","16.1121","0.0011","90","","90","","90","","2523.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Qi, Hongbo; Zhao, Yupeng; Li, Wencong; Chen, Shufeng","Synthesis of 1,4-benzoxazines via Y(OTf)3-catalyzed ring opening/annulation cascade reaction of benzoxazoles with propargylic alcohols","Chemical Communications","2022","","","","","10.1039/D2CC03080B","","x-ray","0.71073","MoKα","","0.0935","0.072","","","0.1479","0.1564","","","","","","1.164","","","","has coordinates","276946","2022-07-26","21:56:57",""
"7130433","13.0253","0.0003","10.4167","0.0003","21.3841","0.0005","90","","90","","90","","2901.41","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C128 H128 F8 N8 O16 -","8","1","","Singh, Ravi Prakash; Tripathi, Krishna N.; Singh, Shashank; Akhtar, Naved; Manna, Kuntal","Visible-Light-Driven Site-selective Alkylation of Benzo Core of Coumarins","Chemical Communications","2022","","","","","10.1039/D2CC03073J","","","0.71073","MoKα","","0.0565","0.0422","","","0.1408","0.1683","","","","","","1.101","","","","has coordinates","276979","2022-07-28","21:53:46",""
"7130481","10.1981","0.0001","14.6629","0.0001","27.4065","0.0002","90","","90","","90","","4098.2","0.06","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl Cr N2 O2 -","- C18 H36 Cl Cr N2 O2 -","- C144 H288 Cl8 Cr8 N16 O16 -","8","1","","Wolczanski, Peter T.; Kayser, Ann K.; Lancaster, Kyle; Bollmeyer, Melissa M.; Cundari, Thomas R.; MacMillan, Samantha N.","TEMPO Coordination and Reactivity in Group 6; Pseudo-Pentagonal Planar (η2-TEMPO)2CrX (X = Cl, TEMPO)","Chemical Communications","2022","","","","","10.1039/D2CC03838B","","x-ray","1.54184","CuKα","","0.0292","0.0271","","","0.0708","0.0721","","","","","","1.062","","","","has coordinates","277079","2022-08-05","21:50:34",""
"7130484","8.5805","0.0004","17.5759","0.0008","21.6097","0.0009","90","","90","","90","","3259","0.3","102","","102","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 F4 O Te -","- C6 H6 F4 O Te -","- C96 H96 F64 O16 Te16 -","16","2","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.0313","0.0228","","","0.0426","0.0453","","","","","","1.13","","","","has coordinates","277152","2022-08-08","21:58:54",""
"7130487","11.3375","0.0012","8.8938","0.0009","13.7471","0.0013","90","","90","","90","","1386.2","0.2","100","2","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 F14 Te -","- C12 F14 Te -","- C48 F56 Te4 -","4","0.5","","Wegener, Daniel; Hoffmann, Kurt F.; Pérez-Bitrián, Alberto; Bayindir, Ilayda; Hadi, Amiera Nadien; Wiesner, Anja; Riedel, Sebastian","Air-stable Aryl Derivatives of the Pentafluoroorthotellurate","Chemical Communications","2022","","","","","10.1039/D2CC03936B","","","0.71073","MoKα","","0.0141","0.0138","","","0.0337","0.0339","","","","","","1.129","","","","has coordinates","277152","2022-08-08","22:00:18",""
"7130503","11.7751","0.0017","15.553","0.002","20.306","0.003","90","","90","","90","","3718.8","0.9","293.15","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Br O4 -","- C22 H19 Br O4 -","- C176 H152 Br8 O32 -","8","1","","Liu, Wei; Zhang, Le; Liu, Ye; Fan, Shilu; Dai, Jian-Jun; Tao, Wei; Zhu, Huixia; Xiao, Hua","Chemoselective tandem SN2'/SN2''/inter- or intramolecular Diels-Alder reaction of γ-vinyl MBH carbonates with phenols and o-hydroxychalcones","Chemical Communications","2022","","","","","10.1039/D2CC03771H","","","0.71073","MoKα","","0.0648","0.0408","","","0.1005","0.1123","","","","","","1.028","","","","has coordinates","277170","2022-08-09","21:45:43",""
"7130568","10.2684","0.0003","16.9671","0.0007","33.776","0.0011","90","","90","","90","","5884.6","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H30 F3 Fe N O3 S -","- C34 H30 F3 Fe N O3 S -","- C272 H240 F24 Fe8 N8 O24 S8 -","8","1","","Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich","A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone","Chemical Communications","2022","","","","","10.1039/D2CC03871D","","x-ray","1.54186","CuKα","","0.0637","0.0435","","","0.104","0.1163","","","","","","1.03","","","","has coordinates","277325","2022-08-19","21:59:09",""
"7130586","16.5696","0.0019","12.2385","0.0013","22.989","0.002","90","","90","","90","","4661.9","0.8","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F6 N4 O7 S3 -","- C16 H14 F6 N4 O7 S3 -","- C128 H112 F48 N32 O56 S24 -","8","1","","Andrews, Ryan; De Backere, John; Stephan, Douglas W.","Synthesis and reactivity of donor stabilized thionylium (SO2+) dications","Chemical Communications","2022","","","","","10.1039/D2CC04129D","","","0.71073","MoKα","","0.0907","0.0612","","","0.1444","0.1567","","","","","","1.126","","","","has coordinates","277326","2022-08-19","22:03:03",""
"7130621","11.6677","0.0006","16.6259","0.0012","22.4682","0.0015","90","","90","","90","","4358.5","0.5","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Al N S3 -","- C16 H38 Al N S3 -","- C128 H304 Al8 N8 S24 -","8","1","","Sharma, Alpa; Kour, Harpreet; Kour, Jaspreet; Kamal, Kamal; Sawant, Sanghapal D.","Visible-light-promoted iron catalyzed C–H functionalization of 1,4-naphthoquinones via oxidative coupling with sulfoximines","Chemical Communications","2022","","","","","10.1039/D2CC03319D","","","1.54178","CuKα","","0.047","0.0342","","0.0848","0.0757","","","","1.031","1.072","1.072","","","","","has coordinates","277505","2022-08-31","21:53:52",""
"7130633","10.5392","0.0007","14.9833","0.0009","27.796","0.0016","90","","90","","90","","4389.3","0.5","120","0.1","120","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H12 Br4 N -","- C25 H12 Br4 N -","- C200 H96 Br32 N8 -","8","1","","Balakrishna, Bugga; Mossin, Susanne; Kramer, Søren","Photo-induced metal-free dehydrogenative N-N homo-coupling.","Chemical communications (Cambridge, England)","2022","58","78","10977","10980","10.1039/d2cc04204e","","x-ray","0.71073","MoKα","","0.0882","0.0516","","","0.1052","0.1216","","","","","","1.07","","","","has coordinates","278402","2022-10-07","00:43:01",""
"7130660","14.864","0.003","23.185","0.004","21.949","0.004","90","","90","","90","","7564","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H36 Cl N3 Ni O S -","- C48 H36 Cl N3 Ni O S -","- C384 H288 Cl8 N24 Ni8 O8 S8 -","8","1","","Fujita, Masaki; Haketa, Yohei; Tanaka, Hiroki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies of heteroporphyrin-based π-electronic cation with various counteranions.","Chemical communications (Cambridge, England)","2022","58","71","9870","9873","10.1039/d2cc02345h","","","0.4125","Synchrotron","","0.04","0.0391","","","0.0938","0.0944","","","","","","1.085","","","","has coordinates,has disorder","277621","2022-09-05","02:38:16",""
"7130779","7.96","0.004","11.51","0.006","32.253","0.018","90","","90","","90","","2955","3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C120 H176 N16 O16 -","8","1","","Iguchi, Honami; Katayama, Nobuki; Suzuki, Takeyuki; Fujihara, Tetsuaki; Jing, Yuan; Toyao, Takashi; Maeno, Zen; Shimizu, Ken-ichi; Obora, Yasushi","Dimethylacetamide-stabilized ruthenium nanoparticles for catalysing α-alkylations of amides with alcohols","Chemical Communications","2022","","","","","10.1039/D2CC04133B","","","0.71075","MoKα","","0.1408","0.0982","","","0.2513","0.2789","","","","","","1.106","","","","has coordinates","278224","2022-09-27","21:54:34",""
"7130808","21.6481","0.0009","18.7415","0.0008","22.4951","0.0009","90","","90","","90","","9126.7","0.7","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H73 Cu2 N6 O2 P Si -","- C40 H73 Cu2 N6 O2 P Si -","- C320 H584 Cu16 N48 O16 P8 Si8 -","8","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0672","0.0527","","","0.1432","0.1538","","","","","","1.121","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130839","11.7129","0.001","10.303","0.0007","15.414","0.0011","90","","90","","90","","1860.1","0.2","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B6 F2 K2 O9 -","- B6 F2 K2 O9 -","- B48 F16 K16 O72 -","8","1","","Chen, Zilong; Li, Zijian; Chu, Dongdong; Zhang, Fangfang; Li, Xiaojing; Yang, Zhihua; Long, Xifa; Pan, Shilie","A2B6O9F2 (A = NH4, K): New members of A2B6O9F2 family with deep-UV cutoff edge and moderate birefringence","Chemical Communications","2022","","","","","10.1039/D2CC04193F","","x-ray","0.71073","MoKα","","0.0558","0.0371","","","0.076","0.0891","","","","","","1.076","","","","has coordinates","278522","2022-10-11","21:55:12",""
"7130894","13.5422","0.0002","25.4388","0.0004","28.3588","0.0005","90","","90","","90","","9769.5","0.3","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H68 B Mn N6 Na O9 -","- C47 H68 B Mn N6 Na O9 -","- C376 H544 B8 Mn8 N48 Na8 O72 -","8","1","","Karagiannis, Ageliki; Tyryshkin, Alexei M.; Lalancette, Roger A.; Spasyuk, Denis M.; Washington, Asmaa; Prokopchuk, Demyan E.","A Redox-active Manganate(0) Dicarbene Metalloradical","Chemical Communications","2022","","","","","10.1039/D2CC04677F","","","1.54184","CuKα","","0.0894","0.0705","","","0.158","0.1683","","","","","","1.073","","","","has coordinates,has disorder","278779","2022-10-25","21:57:06",""
"7130933","7.7154","0.0002","15.679","0.0005","20.7193","0.0007","90","","90","","90","","2506.41","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","1","","Lefarth, Jens; Haseloer, Alexander; Kletsch, Lukas; Klein, Axel; Neudörfl, Jörg-Martin; Griesbeck, Axel","From energy transfer to electron transfer photocatalysis (PenT→ PET): oxidative cyclobutane cleavage alters the product composition","Chemical Communications","2022","","","","","10.1039/D2CC04693H","","","1.54178","CuKα","","0.0548","0.0527","","","0.1413","0.1432","","","","","","1.054","","","","has coordinates","278862","2022-10-29","08:06:17",""
"7131045","9.629","0.002","19.046","0.004","28.172","0.007","90","","90","","90","","5167","2","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","C31H22AuCl2P","","- C31 H22 Au Cl2 P -","- C31 H22 Au Cl2 P -","- C248 H176 Au8 Cl16 P8 -","8","1","","Litle, Elishua D.; Gabbaï, François P.","A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity","Chemical Communications","2023","59","5","603","606","10.1039/D2CC05436A","","","1.54178","CuKα","","0.0598","0.0503","","","0.1215","0.1296","","","","","","1.034","","","","has coordinates,has disorder","282621","2023-04-13","12:20:31",""
"7131079","15.1336","0.0005","15.4532","0.0005","18.4151","0.0006","90","","90","","90","","4306.6","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N9 Zn2 -","- C13 H12 N9 Zn2 -","- C104 H96 N72 Zn16 -","8","1","","Bumstead, Alice M.; Castillo-Blas, Celia; Pakamorė, Ignas; Thorne, Michael F.; Sapnik, Adam F.; Chester, Ashleigh M.; Robertson, Georgina; Irving, Daniel J. M.; Chater, Philip A.; Keen, David A.; Forgan, Ross S.; Bennett, Thomas D.","Formation of a meltable purinate metal-organic framework and its glass analogue.","Chemical communications (Cambridge, England)","2023","59","6","732","735","10.1039/d2cc05314d","","","0.71073","MoKα","","0.0514","0.0374","","","0.0894","0.099","","","","","","1.023","","","","has coordinates,has disorder","283039","2023-05-05","00:10:26",""
"7131097","38.4079","0.0016","10.3454","0.0005","7.9044","0.0004","90","","90","","90","","3140.8","0.3","112.85","0.1","112.85","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","indolizine","Dimethyl 5-methyl-1-phenylindolizine-2,3-dicarboxylate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","1","","Sun, Simin; Wei, Yuliang; Xu, Jiaxi","Microwave-mediated stereocontrolled annulations of diazo(aryl)methyl(diaryl)phosphine oxides with pyridinium 1,4-zwitterionic thiolates.","Chemical communications (Cambridge, England)","2022","59","2","239","242","10.1039/d2cc05483c","","x-ray","0.71073","MoKα","","0.0676","0.0496","","","0.1021","0.1135","","","","","","1.084","","","","has coordinates","283031","2023-05-05","00:08:03",""
"7131165","7.1491","0.0018","13.136","0.004","48.626","0.014","90","","90","","90","","4566","2","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DMAC-PSBF2-3","R-Crystal","","- C27 H22 B F2 N3 S -","- C27 H22 B F2 N3 S -","- C216 H176 B8 F16 N24 S8 -","8","1","","Wang, Xin; Wu, Xiaofu; Wang, Tong; Wu, Yuliang; Shu, Haiyang; Cheng, Zhiqiang; Zhao, Lei; Tian, Hongkun; Tong, Hui; Wang, Lixiang","A high-contrast polymorphic difluoroboron luminogen with efficient RTP and TADF emissions.","Chemical communications (Cambridge, England)","2023","59","10","1377","1380","10.1039/d2cc05849a","","","0.71073","MoKα","","0.0753","0.0476","","","0.1166","0.1369","","","","","","1.028","","","","has coordinates","281315","2023-03-04","17:38:16",""
"7131171","13.66639","0.00016","17.3063","0.0002","18.4966","0.0002","90","","90","","90","","4374.72","0.09","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C224 H184 N8 O16 -","8","1","","Sasane, Amit Vijay; Liu, Rai-Shung","Catalyst-free diazo cross-coupling to access useful 3(2<i>H</i>)-furanone derivatives.","Chemical communications (Cambridge, England)","2023","59","8","1086","1089","10.1039/d2cc05912f","","x-ray","1.54184","CuKα","","0.0386","0.033","","","0.0791","0.082","","","","","","1.049","","","","has coordinates","281320","2023-03-04","17:40:10",""
"7131176","14.496","0.002","11.4484","0.0018","25.707","0.005","90","","90","","90","","4266.2","1.2","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triazole_6","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C184 H176 N32 O16 S8 -","8","1","","Chen, Wan-Yu; Lin, Wei-Han; Kuo, Chia-Jou; Liang, Chien-Fu","Base-mediated ketenimine formation from <i>N</i>-sulfonylthioimidates for the synthesis of 5-amino-1-vinyl/aryl-1,2,3-triazoles.","Chemical communications (Cambridge, England)","2023","59","10","1297","1300","10.1039/d2cc06708k","","","0.71076","MoKα","","0.1553","0.098","","","0.2105","0.2433","","","","","","1.007","","","","has coordinates","281313","2023-03-04","17:37:34",""
"7131195","9.054","0.0007","11.6026","0.0005","29.7549","0.0017","90","","90","","90","","3125.8","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","1","","Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.","Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.","Chemical communications (Cambridge, England)","2023","59","15","2118","2121","10.1039/d2cc06399a","","","0.71073","MoKα","","0.074","0.0568","","","0.114","0.1215","","","","","","1.02","","","","has coordinates","283102","2023-05-05","00:28:48",""
"7131221","13.2115","0.0003","14.3699","0.0003","24.8145","0.0005","90","","90","","90","","4710.98","0.17","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Br N O5 -","- C27 H22 Br N O5 -","- C216 H176 Br8 N8 O40 -","8","1","","Xiao, Lei; Jin, Lvnan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed cyclopropanation of 3-alkenyl-oxindoles with diazomethanes.","Chemical communications (Cambridge, England)","2023","59","13","1833","1836","10.1039/d2cc06744g","","","1.54178","CuKα","","0.0327","0.0274","","","0.0734","0.0764","","","","","","1.052","","","","has coordinates","283067","2023-05-05","00:19:45",""
"7131250","20.2374","0.0004","12.5486","0.0003","37.1944","0.0009","90","","90","","90","","9445.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H60 Cl4 Ge4 Si10 -","- C20 H60 Cl4 Ge4 Si10 -","- C160 H480 Cl32 Ge32 Si80 -","8","1","","Köstler, Benedikt; Gilmer, Jannik; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Albert, Philipp; Fantuzzi, Felipe; Wagner, Matthias","Group IV heteroadamantanes: synthesis of Si<sub>6</sub>Sn<sub>4</sub> and site-selective derivatization of Si<sub>6</sub>Ge<sub>4</sub>.","Chemical communications (Cambridge, England)","2023","59","16","2295","2298","10.1039/d2cc06697a","","","0.71073","MoKα","","0.0909","0.0525","","","0.1076","0.1208","","","","","","1.06","","","","has coordinates,has disorder","283047","2023-05-05","00:12:35",""
"7131313","11.569","0.002","14.57","0.003","20.867","0.004","90","","90","","90","","3517.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C168 H168 N8 O32 -","8","1","","Song, Yimei; Wu, Chaofei; Zhang, Jinhai; Zhang, Wenhai; Qin, Xin; Yang, Yixiao; Kang, Guowei; Jiang, Jun; Liu, Hongxin","Switchable multipath cascade cyclization to synthesize bicyclic lactams and succinimides <i>via</i> chemodivergent reaction.","Chemical communications (Cambridge, England)","2023","59","22","3313","3316","10.1039/d2cc06841a","","","0.71073","MoKα","","0.0517","0.0447","","","0.1787","0.1941","","","","","","1.013","","","","has coordinates","282257","2023-04-04","09:37:34",""
"7131334","14.1238","0.0016","12.589","0.0015","18.094","0.002","90","","90","","90","","3217.2","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Ag F9 N2 -","- C13 H10 Ag F9 N2 -","- C104 H80 Ag8 F72 N16 -","8","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0922","0.0428","","","0.0865","0.1094","","","","","","1.045","","","","has coordinates","283013","2023-05-04","23:59:12",""
"7131360","11.3662","0.0001","15.8719","0.0001","32.1657","0.0002","90","","90","","90","","5802.79","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H30 Cl11 N5 O Pb3 -","- C8 H30 Cl11 N5 O Pb3 -","- C64 H240 Cl88 N40 O8 Pb24 -","8","1","","Lee, Sujin; Karkee, Rijan; Ben-Akacha, Azza; Luong, Derek; Vellore Winfred, J. S. Raaj; Lin, Xinsong; Strubbe, David A.; Ma, Biwu","One-dimensional organic metal halide nanoribbons with dual emission.","Chemical communications (Cambridge, England)","2023","59","25","3711","3714","10.1039/d3cc00044c","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.0943","0.0956","","","","","","1.143","","","","has coordinates","283058","2023-05-05","00:16:21",""
"7131411","11.9016","0.0005","9.6956","0.0005","21.935","0.0011","90","","90","","90","","2531.1","0.2","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 I O3 S -","- C11 H15 I O3 S -","- C88 H120 I8 O24 S8 -","8","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0485","0.027","","","0.0495","0.0581","","","","","","1.071","","","","has coordinates","283011","2023-05-04","23:58:25",""
"7131546","12.88","0.004","18.325","0.007","21.134","0.008","90","","90","","90","","4988","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C248 H256 O32 -","8","1","","Saravanan, Velautham; Jeganmohan, Masilamani","Palladium-catalyzed stereocontrolled ring-opening of 7-oxabenzonorbornadienes with organic carboxylic acids.","Chemical communications (Cambridge, England)","2023","59","37","5619","5622","10.1039/d3cc00604b","","","0.71073","MoKα","","0.0784","0.055","","","0.1356","0.1644","","","","","","1.137","","","","has coordinates,has disorder","284172","2023-06-05","03:34:55",""
"7131552","16.5099","0.0014","26.641","0.003","27.507","0.003","90","","90","","90","","12099","2","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","12","","","- C55 H45 Ag Au F12 N6 O8 P2 S4 -","- C55 H45 Ag Au F12 N6 O8 P2 S4 -","- C440 H360 Ag8 Au8 F96 N48 O64 P16 S32 -","8","1","","Eltester, M. Alexander; Gildenast, Hans; Rabatinová, Kristína; Pütz, Christopher; Cremer, Christopher; Lanzerath, Patrick; Schroers, Julian P.; Tauchert, Michael E.","Au → M bonds promote catalytic alkyne hydrofunctionalisation.","Chemical communications (Cambridge, England)","2023","59","36","5459","5462","10.1039/d3cc01008b","","","0.71073","MoKα","","0.0544","0.0389","","","0.0863","0.0947","","","","","","1.083","","","","has coordinates,has disorder","283111","2023-05-05","00:31:04",""
"7131574","15.3583","0.001","13.3106","0.0009","23.5375","0.0016","90","","90","","90","","4811.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H29 Cl N O Rh -","- C30 H29 Cl N O Rh -","- C240 H232 Cl8 N8 O8 Rh8 -","8","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0432","0.0421","","","0.1006","0.1014","","","","","","1.133","","","","has coordinates","284849","2023-07-05","08:54:19",""
"7131626","8.3336","0.0004","18.5187","0.0009","26.3322","0.0012","90","","90","","90","","4063.8","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C200 H144 N16 O8 S8 -","8","1","","Dhara, Hirendra Nath; Rakshit, Amitava; Barik, Dinabandhu; Ghosh, Koustuv; Patel, Bhisma K.","Visible-light driven electron-donor-acceptor (EDA) complex-initiated synthesis of thio-functionalized pyridines.","Chemical communications (Cambridge, England)","2023","59","51","7990","7993","10.1039/d3cc01678a","","","0.71073","MoKα","","0.0659","0.0517","","","0.1493","0.174","","","","","","1.101","","","","has coordinates","284835","2023-07-05","08:46:36",""
"7131627","8.8205","0.0004","18.733","0.0011","19.9045","0.0012","90","","90","","90","","3288.9","0.3","297","","297","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Srinivas, Dasari; Mounika, Kurella; Satyanarayana, Gedu","Functionalization of arylacetic acids <i>via</i> directing-group-assisted remote <i>meta</i>-C-H activation.","Chemical communications (Cambridge, England)","2023","59","46","7084","7087","10.1039/d3cc01050c","","","0.71073","MoKα","","0.0824","0.0524","","","0.1374","0.158","","","","","","1.034","","","","has coordinates","284843","2023-07-05","08:50:26",""
"7131642","15.7372","0.0004","13.4885","0.0002","18.8423","0.0003","90","","90","","90","","3999.68","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C184 H176 N16 O16 S8 -","8","1","","Yadav, Suman; Kant, Ruchir; Kuram, Malleswara Rao","Metal-free transfer hydrogenation/cycloaddition cascade of activated quinolines and isoquinolines with tosyl azides.","Chemical communications (Cambridge, England)","2023","59","46","7088","7091","10.1039/d3cc01430d","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.1206","0.1256","","","","","","1.078","","","","has coordinates","284847","2023-07-05","08:52:29",""
"7131653","12.143","0.0004","11.0905","0.0004","42.6477","0.0015","90","","90","","90","","5743.4","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H35 Cl N2 O4 -","- C32 H35 Cl N2 O4 -","- C256 H280 Cl8 N16 O32 -","8","1","","Leduskrasts, Kaspars; Kinens, Artis; Suna, Edgars","The emission efficiency of cationic solid state luminophores is directly proportional to the intermolecular charge transfer intensity.","Chemical communications (Cambridge, England)","2023","59","45","6905","6908","10.1039/d3cc01674a","","x-ray","1.54184","CuKα","","0.0859","0.0664","","","0.1566","0.167","","","","","","1.06","","","","has coordinates","284165","2023-06-05","03:25:43",""
"7131658","18.1855","0.0002","22.2471","0.0003","22.8462","0.0003","90","","90","","90","","9243","0.2","150","0.2","150","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H44 B F20 Ge N2 -","- C47 H44 B F20 Ge N2 -","- C376 H352 B8 F160 Ge8 N16 -","8","1","","Caise, Alexa; Hicks, Jamie; Heilmann, Andreas; Aldridge, Simon","Redox flexibility in a germanium hydride manifold: hydrogen shuttling <i>via</i> oxidative addition and reductive elimination.","Chemical communications (Cambridge, England)","2023","59","47","7251","7254","10.1039/d3cc01411h","","","1.54184","CuKα","","0.0457","0.0308","","","0.0734","0.0815","","","","","","1.016","","","","has coordinates","284862","2023-07-05","09:06:49",""
"7131665","11.807","0.004","10.063","0.003","21.134","0.007","90","","90","","90","","2511","1.4","293","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(5,5-dimethyl-4,5-dihydrothiophen-3-yl)-1-methyl-1H-benzo[d]imidazole","","- C14 N2 S -","- C14 N2 S -","- C112 N16 S8 -","8","1","","Wang, Baoxu; Hu, Zijing; Huang, Lu; Ren, Xiaorui; Gao, Qianwen; Wang, Xi","Polysulfide synthesis <i>via</i> visible-light-induced heteroarene-migratory dithiosulfonylation reaction.","Chemical communications (Cambridge, England)","2023","59","47","7247","7250","10.1039/d3cc01994b","","","0.71073","MoKα","","0.0706","0.0662","","","0.2314","0.2379","","","","","","1.083","","","","has coordinates","284861","2023-07-05","09:05:52",""
"7131774","17.0285","0.0017","10.2006","0.0011","30.307","0.003","90","","90","","90","","5264.4","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Be N -","- C32 H39 Be N -","- C256 H312 Be8 N8 -","8","1","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","0.71073","MoKα","K-L~2,3~","0.1075","0.062","","","0.1265","0.1466","","","","","","1.066","","","","has coordinates","284552","2023-06-29","08:25:48",""
"7131785","14.4622","0.0013","7.9861","0.0009","27.635","0.002","90","","90","","90","","3191.7","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C136 H152 N8 O16 S8 -","8","1","","Zhang, Qiang; Zhou, Pengfei; Zhao, Yaokun; Liu, Yeran; Liang, Taoyuan; Jiang, Jun; Zhang, Zhuan","Catalyst-controlled regiodivergent C-H bond alkenylation of 2-pyridylthiophenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02411c","","","0.71073","MoKα","","0.1215","0.073","","","0.1413","0.1606","","","","","","1.087","","","","has coordinates,has disorder","284558","2023-06-29","08:43:33",""
"7131794","8.3047","0.0002","18.4642","0.0006","21.707","0.0007","90","","90","","90","","3328.54","0.17","281","2","281","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N Se -","- C22 H15 N Se -","- C176 H120 N8 Se8 -","8","1","","Zhou, Yunhao; Zheng, Tao; Xu, Yue; Li, Bo; Wang, Yuchi; Mei, Ruhuai; Gu, Linghui; Ma, Wenbo","Palladium-catalyzed distal selective C-H chalcogenation of biphenyl amines.","Chemical communications (Cambridge, England)","2023","59","53","8262","8265","10.1039/d3cc02209a","","","0.71073","MoKα","","0.0525","0.0313","","","0.0706","0.0794","","","","","","1.026","","","","has coordinates","284710","2023-06-29","21:54:44",""
"7131798","9.2171","0.0004","8.5923","0.0004","34.046","0.0018","90","","90","","90","","2696.3","0.2","299.97","0.1","299.97","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[bis(heptan-2-ammonium) bis(mu-iodo)-diiodo-tin]","","- C14 H36 I4 N2 Sn -","- C14 H36 I4 N2 Sn -","- C56 H144 I16 N8 Sn4 -","4","0.5","","Singh, Akash; Crace, Ethan; Xie, Yi; Mitzi, David B.","A two-dimensional lead-free hybrid perovskite semiconductor with reduced melting temperature.","Chemical communications (Cambridge, England)","2023","59","53","8302","8305","10.1039/d3cc01788e","","x-ray","0.71073","MoKα","","0.109","0.0843","","","0.1523","0.1583","","","","","","1.357","","","","has coordinates","284714","2023-06-29","21:56:51",""
"7131799","9.04641","0.00016","8.47695","0.00015","34.0759","0.0007","90","","90","","90","","2613.14","0.08","80","0.8","80","0.8","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-[bis(heptan-2-ammonium) bis(mu-iodo)-diiodo-tin]","","- C14 H36 I4 N2 Sn -","- C14 H36 I4 N2 Sn -","- C56 H144 I16 N8 Sn4 -","4","0.5","","Singh, Akash; Crace, Ethan; Xie, Yi; Mitzi, David B.","A two-dimensional lead-free hybrid perovskite semiconductor with reduced melting temperature.","Chemical communications (Cambridge, England)","2023","59","53","8302","8305","10.1039/d3cc01788e","","x-ray","0.71073","MoKα","","0.0534","0.047","","","0.0929","0.0944","","","","","","1.478","","","","has coordinates","284714","2023-06-29","21:56:52",""
"7131809","12.8035","0.0003","7.4389","0.0002","33.9834","0.0007","90","","90","","90","","3236.71","0.13","193","","193","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","1","","Pu, Jun; Chen, Lei; Wu, Rui-Rui; Ye, Peng; Li, Huan-Le; Wang, Shuang; Xu, Zhen Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Non-directed Pd-catalysed C–H Arylation of [2.2]Paracyclophane","Chemical Communications","2023","","","","","10.1039/D3CC02546B","","x-ray","1.34139","GaKα","","0.0606","0.0445","","","0.1209","0.1326","","","","","","1.028","","","","has coordinates","284757","2023-07-03","21:53:03",""
"7131884","20.2437","0.0013","9.7698","0.0006","33.781","0.003","90","","90","","90","","6681.1","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CF3Tio","N-(2,6-bis(3,5-bis(trifluoromethyl)phenyl)phenyl)-4,6-di-tert-butyl-2-imino-1,2-benzoquinone","","- C36 H29 F12 N O -","- C36 H29 F12 N O -","- C288 H232 F96 N8 O8 -","8","1","","Ayson, Patricia Rose H.; Brown, Seth N.","Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.","Chemical communications (Cambridge, England)","2023","59","63","9618","9621","10.1039/d3cc02943c","","","0.71073","MoKα","","0.0561","0.0471","","","0.1098","0.1156","","","","","","1.07","","","","has coordinates,has disorder","285463","2023-08-05","08:40:11",""
"7131896","19.2009","0.0011","12.3001","0.0007","21.4316","0.0013","90","","90","","90","","5061.6","0.5","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(μ-thiourea)-tetrakis(thiourea)-di-copper-(Cu-Cu) sulfate hydrate","","- C6 H26 Cu2 N12 O5 S7 -","- C6 H26 Cu2 N12 O5 S7 -","- C48 H208 Cu16 N96 O40 S56 -","8","1","","Wei, Shuxia; Ma, Chengfeng; Liu, Xinge; Liu, Naiyun; Yuan, MingJun; Xiao, Kang; Yan, Weibo; Xin, Hao","A facial synthesis of a copper (I) thiourea sulphate complex and its application for highly efficient chalcopyrite solar cells","Chemical Communications","2023","","","","","10.1039/D3CC02417B","","","0.71073","MoKα","","0.0752","0.0376","","","0.0656","0.0753","","","","","","1.003","","","","has coordinates","285249","2023-07-17","21:54:55",""
"7131942","18.9411","0.0003","11.435","0.0002","23.3417","0.0004","90","","90","","90","","5055.61","0.15","123.15","","123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Co N3 O6 -","- C26 H17 Co N3 O6 -","- C208 H136 Co8 N24 O48 -","8","1","","Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","Ideal trigonal prismatic coordination geometry of Co(II) in a honeycomb MOF with a triptycene-based ligand","Chemical Communications","2023","","","","","10.1039/D3CC02986G","","x-ray","0.71073","MoKα","","0.0969","0.0754","","","0.2452","0.2789","","","","","","1.082","","","","has coordinates,has disorder","285364","2023-07-27","21:56:49",""
"7131967","17.9381","0.0009","11.1134","0.0007","26.1609","0.0014","90","","90","","90","","5215.3","0.5","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H29 F3 O4 S -","- C29 H29 F3 O4 S -","- C232 H232 F24 O32 S8 -","8","1","","Lu, Lingyi; Wang, Haoran; Huang, Shanshan; Xiong, Biao; Zeng, Xiaobao; Ling, Yong; Qiu, Xiaodong","Photoredox Catalysis in Alkene and Alkyne Alkylsulfonylations: The Construction of Markovnikov Selective α-Sulfones","Chemical Communications","2023","","","","","10.1039/D3CC02740F","","","0.71073","MoKα","","0.1313","0.081","","","0.1432","0.1656","","","","","","1.099","","","","has coordinates,has disorder","285427","2023-08-02","21:54:30",""
"7132053","11.4074","0.0002","8.1039","0.0002","31.1224","0.0006","90","","90","","90","","2877.09","0.1","120","2","119.9","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-3-(2-(hydroxy(phenyl)methyl)hex-1-en-1-yl)oxazolidin-2-one","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","1","","Khamrai, Aankhi; Ganesh, Venkataraman","Benchtop Nickel-Catalyzed Reductive Coupling of Aldehydes with Alkynes and Ynamides","Chemical Communications","2023","","","","","10.1039/D3CC03322H","","x-ray","0.71073","MoKα","","0.0408","0.0379","","","0.0966","0.0991","","","","","","1.086","","","","has coordinates","285860","2023-08-24","21:55:48",""
"7132095","18.0325","0.0001","14.8934","0.0001","32.4245","0.0001","90","","90","","90","","8708.09","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C49 H66 B N3 -","- C49 H66 B N3 -","- C392 H528 B8 N24 -","8","1","","Chrysochos, Nicolas; Pätsch, Sebastian; Elvers, Benedict Josua; Krummenacher, Ivo; Muneshwar , Nandeshwar; Ganesan, Prabusankar; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","Introducing an orthogonally polarized electron-rich alkene: synthesis of a zwitterionic boron-containing π-conjugated system","Chemical Communications","2023","","","","","10.1039/D3CC03975G","","","1.54184","CuKα","","0.0429","0.0412","","","0.1072","0.1087","","","","","","1.017","","","","has coordinates","285954","2023-09-01","21:58:06",""
"7132118","8.86145","0.0001","18.8062","0.0002","19.06566","0.00019","90","","90","","90","","3177.3","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Liu, Rai-Shung; Kshirsagar, Akshay Suresh; More, Sayaji Arjun","Stereo- and Regiocontrol in Intermolecular [2+2] Cycloadditions between Diarylketenes and Allenamides to Access Substituted α-Methylenecyclobutanones.","Chemical Communications","2023","","","","","10.1039/D3CC03979J","","x-ray","1.54184","CuKα","","0.034","0.0325","","","0.0784","0.0793","","","","","","1.039","","","","has coordinates","286303","2023-09-12","21:55:14",""
"7132127","17.2411","0.0012","18.2386","0.0011","32.1839","0.0018","90","","90","","90","","10120.3","1.1","152.65","","152.65","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C59 H74 N2 Pd -","- C59 H74 N2 Pd -","- C472 H592 N16 Pd8 -","8","1","","Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik","Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate","Chemical Communications","2023","","","","","10.1039/D3CC03964A","","","0.71073","MoKα","","0.2131","0.0711","","","0.1181","0.1494","","","","","","0.88","","","","has coordinates","286338","2023-09-14","21:55:48",""
"7132170","6.9772","0.0003","19.639","0.0011","25.1001","0.0011","90","","90","","90","","3439.3","0.3","247","3","247","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O2 S -","- C21 H17 N O2 S -","- C168 H136 N8 O16 S8 -","8","1","","Wang, Yi-Lin; Liu, Peng-Xiang; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of benzo[<i>f</i>][1,2]thiazepine 1,1-dioxides based on the visible-light-mediated aza Paternò-Büchi reaction of benzo[<i>d</i>]isothiazole 1,1-dioxides with alkenes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03745b","","x-ray","0.71073","MoKα","","0.0606","0.0474","","","0.1247","0.1324","","","","","","1.054","","","","has coordinates","286626","2023-10-02","21:56:00",""
"7132199","15.9398","0.0002","12.0803","0.0002","16.6377","0.0003","90","","90","","90","","3203.72","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C144 H192 N16 O24 -","8","1","","Woelk, Kyla; Dhake, Kushal; Schley, Nathan D.; Leitch, David","Enolate addition to bicyclobutanes enables expedient access to 2-oxo-bicyclohexane scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC04234K","","x-ray","1.54184","CuKα","","0.0414","0.0388","","","0.0926","0.0952","","","","","","1.043","","","","has coordinates","286878","2023-10-10","21:57:07",""
"7132229","17.0198","0.0007","10.765","0.0005","29.1185","0.0011","90","","90","","90","","5335","0.4","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Benzidine(bisfluorenone imine)","MAN-20","","- C38 H24 N2 -","- C38 H24 N2 -","- C304 H192 N16 -","8","1","","Sprachmann, Josefine; Grabicki, Niklas; Möckel, Anna; Maltitz, Jeremy; del Refugio Monroy Gómez, José; Smales, Glen J.; Dumele, Oliver","Substituted Benzophenone Imines for COF Synthesis via Formal Transimination","Chemical Communications","2023","","","","","10.1039/D3CC03735E","","x-ray","0.71073","MoKα","","0.0723","0.0475","","","0.1162","0.1331","","","","","","1.035","","","","has coordinates","287020","2023-10-18","21:59:35",""
"7132253","8.6631","0.0004","13.5282","0.0006","35.323","0.0015","90","","90","","90","","4139.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 B N O4 -","- C20 H28 B N O4 -","- C160 H224 B8 N8 O32 -","8","1","","Ghorai, Debraj; Das, Kanak Kanti; Panda, Santanu ​","Carbonyl Group Directed Synthesis of 3-Boryl-3-Substituted Vinyl Oxindoles and Tetrasubstituted β-Borylenones","Chemical Communications","2023","","","","","10.1039/D3CC04788A","","","0.71073","MoKα","","0.0885","0.0677","","","0.1685","0.1817","","","","","","1.122","","","","has coordinates","287092","2023-10-24","21:57:46",""
"7132306","19.2342","0.0015","10.1167","0.0007","26.9285","0.0017","90","","90","","90","","5239.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Cl3 I N2 -","- C24 H30 Cl3 I N2 -","- C192 H240 Cl24 I8 N16 -","8","1","","Mazars, François; Zaragoza, Guillermo; Delaude, Lionel","The facile alkylation and iodination of imidazol(in)ium salts in the presence of cesium carbonate","Chemical Communications","2023","","","","","10.1039/D3CC04971J","","x-ray","0.71073","MoKα","","0.0401","0.0293","","","0.0657","0.0706","","","","","","1.031","","","","has coordinates","287442","2023-11-06","22:56:48",""
"7132370","11.082","0.0004","7.9064","0.0003","29.1239","0.0014","90","","90","","90","","2551.8","0.18","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B2 Cl Rb S6 Sr3 -","- B2 Cl Rb S6 Sr3 -","- B16 Cl8 Rb8 S48 Sr24 -","8","1","","Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie","[RbSr<sub>3</sub>X][(BS<sub>3</sub>)<sub>2</sub>] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric.","Chemical communications (Cambridge, England)","2023","60","1","118","121","10.1039/d3cc05205b","","","0.71073","MoKα","","0.0541","0.0375","","","0.0866","0.0952","","","","","","1.051","","","","has coordinates","289326","2024-02-04","11:02:19",""
"7132379","6.7766","0.0001","8.3061","0.0002","29.6225","0.0006","90","","90","","90","","1667.37","0.06","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Cs O -","- C8 H7 Cs O -","- C64 H56 Cs8 O8 -","8","1","","Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.","Isolable rubidium and caesium derivatives of common organic carbonyl compounds.","Chemical communications (Cambridge, England)","2023","60","1","91","94","10.1039/d3cc05527b","","","1.54184","CuKα","","0.0584","0.0495","","","0.1305","0.1378","","","","","","1.057","","","","has coordinates","289325","2024-02-04","11:02:08",""
"7132385","18.802","0.0002","17.9299","0.0002","22.3674","0.0002","90","","90","","90","","7540.45","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H66 Ni P2 -","- C42 H66 Ni P2 -","- C336 H528 Ni8 P16 -","8","1","","Lin, Lirong; Tresp, David S.; Spasyuk, Denis M.; Lalancette, Roger A.; Prokopchuk, Demyan E.","Accessing Ni(0) to Ni(IV) <i>via</i> nickel-carbon-phosphorus bond reorganization.","Chemical communications (Cambridge, England)","2024","60","6","674","677","10.1039/d3cc04687g","","x-ray","1.54184","CuKα","","0.0494","0.0387","","","0.0922","0.0997","","","","","","1.039","","","","has coordinates","289359","2024-02-04","11:14:41",""
"7132400","18.82101","0.00012","16.82525","0.00012","21.49677","0.00017","90","","90","","90","","6807.34","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H44 Cu N5 -","- C42 H44 Cu N5 -","- C336 H352 Cu8 N40 -","8","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0424","0.0379","","","0.1072","0.1112","","","","","","1.078","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132401","15.10177","0.00005","19.65119","0.00007","20.19471","0.00009","90","","90","","90","","5993.14","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H42 Cu N5 -","- C34 H42 Cu N5 -","- C272 H336 Cu8 N40 -","8","1","","Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.","Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu<sup>I</sup>-arylamide mechanophores.","Chemical communications (Cambridge, England)","2023","60","2","212","215","10.1039/d3cc04643e","","x-ray","1.54184","CuKα","","0.0344","0.0335","","","0.0896","0.0902","","","","","","1.076","","","","has coordinates","289348","2024-02-04","11:10:48",""
"7132411","11.0033","0.0004","15.9828","0.0005","19.388","0.0006","90","","90","","90","","3409.64","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C152 H144 Cl8 N8 O24 -","8","1","","Takeda, Norihiko; Maeda, Ryoya; Yasui, Motohiro; Ueda, Masafumi","Synthesis of oxime ethers <i>via</i> a formal reductive O-H bond insertion of oximes to α-keto esters.","Chemical communications (Cambridge, England)","2023","60","2","172","175","10.1039/d3cc05522a","","x-ray","0.71073","MoKα","","0.0638","0.0444","","","0.091","0.0974","","","","","","1.025","","","","has coordinates","289350","2024-02-04","11:11:29",""
"7132482","15.9232","0.001","15.0712","0.0011","16.8379","0.0011","90","","90","","90","","4040.8","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Co_dadtBz","","- C21 H28 Co N2 S2 -","- C21 H28 Co N2 S2 -","- C168 H224 Co8 N16 S16 -","8","1","","Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.","A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.","Chemical communications (Cambridge, England)","2024","60","9","1128","1131","10.1039/d3cc05394f","","","0.71073","MoKα","","0.0486","0.0291","","","0.0619","0.0741","","","","","","1.161","","","","has coordinates","289374","2024-02-04","11:20:01",""
"7132520","19.617","0.004","21.324","0.004","25.718","0.005","90","","90","","90","","10758","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C118 H178 K2 Mg2 N4 O4 -","- C118 H178 K2 Mg2 N4 O4 -","- C472 H712 K8 Mg8 N16 O16 -","4","0.5","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","","0.7109","Synchrotron","","0.0736","0.0646","","","0.1807","0.1901","","","","","","1.031","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132584","14.9882","0.0005","15.8456","0.0005","16.4634","0.0005","90","","90","","90","","3910","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Co F O4 P -","- C16 H27 Co F O4 P -","- C128 H216 Co8 F8 O32 P8 -","8","1","","Pietraru, Marie-Hélène; Ponsard, Louise; Lentz, Nicolas; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Fluorophosphoniums as Lewis acids in organometallic catalysis: application to the carbonylation of β-lactones.","Chemical communications (Cambridge, England)","2024","60","8","1043","1046","10.1039/d3cc04282k","","","0.71073","MoKα","","0.0587","0.0353","","","0.0724","0.0804","","","","","","1.087","","","","has coordinates","289332","2024-02-04","11:05:00",""
"7132687","16.4099","0.0016","10.0684","0.001","18.6788","0.0016","90","","90","","90","","3086.1","0.5","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F O -","- C20 H15 F O -","- C160 H120 F8 O8 -","8","1","","Zhang, Zhou; Li, Jin; Cai, Zhiwei; Kang, Songyao; Wang, Jian; Cui, Yue; Han, Siyuan; Sheng, Lei; Yin, Qing; Dai, Ang; Zhao, Weining; Zhao, Fangyuan","Electrochemical Aerobic Wacker-type Oxygenation of Triaryl Substituted Alkenes to 1,2,2-Triarylethanones","Chemical Communications","2024","","","","","10.1039/D3CC05770D","","","1.54178","CuKα","","0.0998","0.0822","","","0.217","0.2324","","","","","","1.081","","","","has coordinates,has disorder","289738","2024-02-07","22:57:42",""
"7132832","19.2019","0.0004","13.9245","0.0003","28.2926","0.0005","90","","90","","90","","7564.8","0.3","193","","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F3 N2 O4 S -","- C19 H17 F3 N2 O4 S -","- C304 H272 F48 N32 O64 S16 -","16","2","","Lou, Mingliang; Liu, Xiaolei; Han, Shoule; Bai, Songlin; Qi, Xiangbing","Total synthesis of (±)-3-demethoxyerythratidinone <i>via</i> Tf<sub>2</sub>O-promoted cascade reaction of enaminone.","Chemical communications (Cambridge, England)","2024","60","28","3842","3845","10.1039/d3cc06270h","","","1.54178","CuKα","","0.0427","0.0381","","","0.1009","0.1046","","","","","","1.062","","","","has coordinates","290806","2024-04-04","22:27:09",""
"7132833","19.421","0.0001","13.8099","0.0001","27.8614","0.0002","90","","90","","90","","7472.49","0.09","99.9","0.4","99.9","0.4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 F3 N2 O4 S -","- C18 H17 F3 N2 O4 S -","- C288 H272 F48 N32 O64 S16 -","16","2","","Lou, Mingliang; Liu, Xiaolei; Han, Shoule; Bai, Songlin; Qi, Xiangbing","Total synthesis of (±)-3-demethoxyerythratidinone <i>via</i> Tf<sub>2</sub>O-promoted cascade reaction of enaminone.","Chemical communications (Cambridge, England)","2024","60","28","3842","3845","10.1039/d3cc06270h","","x-ray","1.54184","CuKα","","0.0559","0.0518","","","0.1294","0.1334","","","","","","1.063","","","","has coordinates,has disorder","290806","2024-04-04","22:27:09",""
"7132871","19.9815","0.0012","23.8662","0.0012","23.8919","0.0013","90","","90","","90","","11393.6","1.1","100.07","","100.07","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)lutetium(III) tetracyanoaurate(III) hydrate","","- C52 H34.66 Au3 Lu N20 O9.33 -","- C52 H34.658 Au3 Lu N20 O9.329 -","- C416 H277.264 Au24 Lu8 N160 O74.632 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0808","0.0468","","","0.0745","0.0823","","","","","","1.052","","","","has coordinates","290582","2024-03-21","23:01:31",""
"7132872","20.0668","0.0009","23.8472","0.001","23.9197","0.0008","90","","90","","90","","11446.5","0.8","100.01","","100.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)terbium(III) tetracyanoaurate(III) hydrate","","- C52 H34.34 Au3 N20 O9.17 Tb -","- C52 H34.344 Au3 N20 O9.172 Tb -","- C416 H274.752 Au24 N160 O73.376 Tb8 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0518","0.0311","","","0.0563","0.0619","","","","","","1.036","","","","has coordinates","290582","2024-03-21","23:01:33",""
"7132873","20.1041","0.0011","23.8591","0.0014","23.936","0.0014","90","","90","","90","","11481.3","1.1","100.1","","100.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)europium(III) tetracyanoaurate(III) hydrate","","- C52 H34.51 Au3 Eu N20 O9.25 -","- C52 H34.506 Au3 Eu N20 O9.253 -","- C416 H276.048 Au24 Eu8 N160 O74.024 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0576","0.0355","","","0.0697","0.0769","","","","","","1.019","","","","has coordinates","290582","2024-03-21","23:01:34",""
"7132874","20.2203","0.0007","23.8559","0.0008","23.9799","0.0009","90","","90","","90","","11567.3","0.7","100.04","","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(N,N'-dioxide-2,2'-bipyridyl)cerium(III) tetracyanoaurate(III) hydrate","","- C52 H34.4 Au3 Ce N20 O9.2 -","- C52 H34.398 Au3 Ce N20 O9.199 -","- C416 H275.184 Au24 Ce8 N160 O73.592 -","8","1","","Karpiuk, Thomas E.; Mahato, Samyadeb; Storr, Tim; Leznoff, Daniel B.","Unusually short unsupported Au(III)⋯Au(III) aurophilic contacts in emissive lanthanide tetracyanoaurate(III) complexes.","Chemical communications (Cambridge, England)","2024","","","","","10.1039/d4cc00468j","","x-ray","0.71073","MoKα","","0.0418","0.0244","","","0.0461","0.0508","","","","","","1.019","","","","has coordinates","290582","2024-03-21","23:01:34",""
"7132884","11.248","0.0001","11.9893","0.0002","21.1722","0.0002","90","","90","","90","","2855.19","0.06","292.37","0.1","292.37","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C144 H104 N8 O24 -","8","1","","Liao, Zhiyu; Gao, Fan; Ye, Yuhang; Yu, Qianhui; Yang, Cui; Luo, Qingyu; Du, Fei; Pan, Bin; Zhong, Wenwu; Wu, Liang","Construction of Cyclobutane-fused Tetracyclic Skeletons via Substrate-dependent EnT-enabled Dearomative [2+2] Cycloaddition of Benzofurans (Benzothiophenes) /Maleimides","Chemical Communications","2024","","","","","10.1039/D4CC00690A","","x-ray","1.54184","CuKα","","0.0597","0.0572","","","0.1571","0.1599","","","","","","1.074","","","","has coordinates","290598","2024-03-22","23:03:24",""
"7132898","28.4574","0.0005","27.9101","0.0004","32.3437","0.0006","90","","90","","90","","25688.9","0.8","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H57 N2 O4 Sb -","- C46 H57 N2 O4 Sb -","- C1104 H1368 N48 O96 Sb24 -","24","3","","Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoro, Hiroki; Nabeshima, Tatsuya","Synthesis and Optical Properties of Antimony(V) Complexes of a N2O2-Type Tetradentate Dipyrrin Ligand","Chemical Communications","2024","","","","","10.1039/D4CC00630E","","x-ray","0.71073","MoKα","","0.0787","0.0427","","","0.0771","0.0875","","","","","","1.024","","","","has coordinates","290646","2024-03-26","23:00:54",""
"7132916","11.511","0.004","10.247","0.003","21.356","0.007","90","","90","","90","","2519","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sarkar, Souradip; Bhunya, Sourav; Pan, Subarna; Datta, Arnadeep; Roy, Lisa; Samanta, Rajarshi","Rh(II)-Catalysed N2-Selective Arylation of Benzotriazoles and Indazoles using Quinoid Carbenes via 1,5-H Shift","Chemical Communications","2024","","","","","10.1039/D4CC00823E","","","0.71073","MoKα","","0.0737","0.0599","","","0.1549","0.1658","","","","","","1.038","","","","has coordinates","290789","2024-04-04","21:56:39",""
"7132978","28.7435","0.0006","28.3372","0.0006","48.7703","0.0015","90","","90","","90","","39723.9","1.7","179.99","0.1","179.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C97 H203 Ag45 Nb6 O47 S23 -","- C97 H203 Ag45 Nb6 O47 S23 -","- C776 H1624 Ag360 Nb48 O376 S184 -","8","1","","Zhao, Zichen; Zhao, Mengyun; Deng, Lan; Li, Qing; Zhang, Jing; Su, Hai-Feng; Lv, Hongjin; Yang, Guo-Yu","Two structurally new Lindqvist hexaniobate-templated silver thiolate clusters","Chemical Communications","2024","","","","","10.1039/D4CC00681J","","x-ray","0.71073","MoKα","","0.129","0.0761","","","0.1835","0.2071","","","","","","1.033","","","","has coordinates,has disorder","291335","2024-04-23","21:56:59",""
"7150107","9.6984","0.0002","16.5958","0.0003","25.445","0.0006","90","","90","","90","","4095.44","0.15","93.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C192 H224 N32 O16 -","16","2","","Nitta, Makoto; Sakakida, Tsuyoshi; Miyabara, Hideo; Yamamoto, Hiroyuki; Naya, Shin-ichi","Novel synthesis, static and dynamic properties, and structural characteristics of 5-cyano[n](2,4)pyridinophane-6-ones (n= 9-6) and their chemical transformations.","Organic & biomolecular chemistry","2005","3","4","638","644","10.1039/b416013d","","","0.7107","MoKα","","","0.056","","","","0.098","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150117","17.163","0.002","12.517","0.001","14.25","0.001","90","","90","","90","","3061.3","0.5","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br4 -","- C12 H18 Br4 -","- C96 H144 Br32 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","Mokα","","","0.068","","","","0.087","","","","","","","","","","has coordinates","277892","2022-09-15","16:23:53",""
"7150118","11.67","0.002","28.998","0.006","10.483","0.003","90","","90","","90","","3547.5","1.4","","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Br6 -","- C12 H18 Br6 -","- C96 H144 Br48 -","8","1","","Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.","An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.","Organic & biomolecular chemistry","2005","3","10","1880","1892","10.1039/b417156j","","x-ray","0.71069","MoKα","","","0.054","","","","0.072","","","","","","","","","","has coordinates","277893","2022-09-15","16:27:41",""
"7150156","8.5638","0.0003","14.0302","0.0005","23.1201","0.0009","90","","90","","90","","2777.92","0.18","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 Cl N S -","- C13 H20 Cl N S -","- C104 H160 Cl8 N8 S8 -","8","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.085","0.0699","","","0.1926","0.2037","","","","","","1.189","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150159","13.479","0.007","11.203","0.004","24.545","0.008","90","","90","","90","","3706","3","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","potassium solt of N-bis(N- (trifluoromethylsulfonylimido))trifluoromethane-sulfoximidoyl imide","potassium solt of N-bis[N-(trifluoromethylsulfonylimido)]trifluoromethane- sulfoximidoyl imide","","- C4 F12 K N3 O6 S4 -","- C4 F12 K N3 O6 S4 -","- C32 F96 K8 N24 O48 S32 -","8","1","","Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.","Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.","Organic & biomolecular chemistry","2005","3","12","2239","2243","10.1039/b503286p","","","0.71073","MoKα","","0.1409","0.0401","","0.0833","0.0443","0.0443","","","","","","1.1501","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150161","11.4775","0.0005","11.1987","0.0005","24.918","0.001","90","","90","","90","","3202.8","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)- hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester","","- C12 H14 Cl3 N3 O5 -","- C12 H14 Cl3 N3 O5 -","- C96 H112 Cl24 N24 O40 -","8","1","","Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.","Organic & biomolecular chemistry","2005","3","12","2344","2349","10.1039/b503744a","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.54","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150167","22.3809","0.0009","17.2516","0.0008","9.034","0.001","90","","90","","90","","3488.1","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Yamashita, Masayuki; Inaba, Tomoki; Nagahama, Masaki; Shimizu, Takashi; Kosaka, Sachiko; Kawasaki, Ikuo; Ohta, Shunsaku","Novel stereoconvergent transformation of 1,2a-disubstituted 1,2,2a,8b-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-ones to 1,3-disubstituted 1,2,4a,9b-tetrahydrodibenzofuran-4-ols and its application to the second-generation synthesis of (+/-)-linderol A.","Organic & biomolecular chemistry","2005","3","12","2296","2304","10.1039/b503890a","","","1.5418","CuKα","","","0.0575","","","","0.2055","","","","","","1.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150222","10.805","0.002","10.863","0.002","19.502","0.004","90","","90","","90","","2289","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N3 -","- C12 H19 N3 -","- C96 H152 N24 -","8","1","","Ilioudis, Christos A.; Steed, Jonathan W.","Polyaza metacyclophanes as ditopic anion receptors.","Organic & biomolecular chemistry","2005","3","16","2935","2945","10.1039/b506828b","","","0.71073","MoKα","","0.1854","0.128","","","0.1902","0.2049","","","","","","1.259","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150241","9.319","0.002","12.579","0.003","27.029","0.007","90","","90","","90","","3168.4","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C120 H168 F16 N8 O40 -","8","1","","Crowley, Patrick J.; Fawcett, John; Griffith, Gerry A.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated cyclohexane polyols via the Diels-Alder reaction: regiochemical control via the phenylsulfonyl group.","Organic & biomolecular chemistry","2005","3","18","3297","3310","10.1039/b507131c","","","0.71073","MoKα","","0.0395","0.0338","","","0.082","0.0849","","","","","","1.038","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150268","9.5463","0.0018","16.258","0.004","18.117","0.004","90","","90","","90","","2811.8","1.1","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 Pd -","- C14 H17 Cl N2 Pd -","- C112 H136 Cl8 N16 Pd8 -","8","1","","Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan","An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.","Organic & biomolecular chemistry","2005","3","18","3379","3387","10.1039/b508917d","","","0.71073","MoKα","","0.0577","0.0329","","","0.0595","0.0641","","","","","","0.928","","","","has coordinates","180288","2020-10-21","18:00:00",""
"7150301","19.0707","0.0007","13.0777","0.0003","27.3853","0.0011","90","","90","","90","","6829.9","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O7 -","- C16 H21 N O7 -","- C256 H336 N16 O112 -","16","2","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71069","MoKα","","0.1362","0.0546","","0.1867","0.1189","","","","1.013","1.139","1.139","","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150386","13.47","0.05","10.86","0.04","21.4","0.1","90","","90","","90","","3130","2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","Cousin, David; Mann, John; Nieuwenhuyzen, Mark; van den Berg, Hendrik","A new approach to combretastatin D2.","Organic & biomolecular chemistry","2006","4","1","54","62","10.1039/b513515j","","","0.71073","MoKα","","0.3103","0.1041","","","0.2006","0.2935","","","","","","0.843","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150396","9.3357","0.0001","22.4319","0.0003","25.0932","0.0002","90","","90","","90","","5254.95","0.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 B2 F8 N4 O16 -","- C44 H60 B2 F8 N4 O16 -","- C176 H240 B8 F32 N16 O64 -","4","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1786","0.1437","","","0.2894","0.3084","","","","","","1.293","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150474","14.991","0.002","9.9673","0.0018","15.93","0.002","90","","90","","90","","2380.3","0.6","122","0.5","122","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","8","1-methoxy-4-methyl-2-(phenylseleno)benzene","","- C14 H14 O Se -","- C14 H14 O Se -","- C112 H112 O8 Se8 -","8","1","","Oddershede, Jette; Henriksen, Lars; Larsen, Sine","Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures","Organic & Biomolecular Chemistry","2003","1","6","1053","","10.1039/b211130f","","","1.5418","CuKα","","0.0266","0.0262","","","0.0724","0.0727","","","","","","1.153","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150547","8.6566","0.0007","12.0779","0.0008","35.5","0.003","90","","90","","90","","3711.7","0.5","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C160 H168 N8 O32 S8 -","8","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.1146","0.0763","","0.1452","0.1329","0.1452","","","1.224","","","1.224","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150594","20.2497","0.0002","14.7082","0.0002","24.943","0.0004","90","","90","","90","","7428.94","0.17","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Cl4 N4 O2 -","- C39 H42 Cl4 N4 O2 -","- C312 H336 Cl32 N32 O16 -","8","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.0806","0.0538","","","0.1312","0.1457","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150693","15.4787","0.0005","23.2471","0.0006","31.7802","0.0009","90","","90","","90","","11435.6","0.6","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H64 N4 O10 S2 -","- C64 H64 N4 O10 S2 -","- C512 H512 N32 O80 S16 -","8","1","","Gabutti, Sandro; Schaffner, Silvia; Neuburger, Markus; Fischer, Matthias; Schäfer, Gabriel; Mayor, Marcel","Planar chiral asymmetric naphthalenediimide cyclophanes: synthesis, characterization and tunable FRET properties","Organic & Biomolecular Chemistry","2009","7","16","3222","3229","10.1039/b905945h","","","0.71073","MoKα","","0.0943","0.0749","","0.1278","0.0697","0.0661","","","","","","1.0525","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150769","7.6777","0.0004","12.8146","0.0008","33.0175","0.0018","90","","90","","90","","3248.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C152 H192 O32 -","8","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0593","0.0396","","","0.0951","0.1051","","","","","","1.014","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150774","17.53","0.003","14.759","0.003","14.559","0.003","90","","90","","90","","3766.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C176 H160 Cl8 N8 O16 -","8","1","","Jiang, Huanfeng; Mai, Ronghuan; Cao, Hua; Zhu, Qiuhua; Liu, Xiaohang","l-Proline-catalyzed synthesis of highly functionalized multisubstituted 1,4-dihydropyridines","Organic & Biomolecular Chemistry","2009","7","23","4943","4953","10.1039/b914659h","","","0.71073","MoKα","","0.1059","0.0663","","","0.209","0.2385","","","","","","1.147","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150914","11.778","0.002","16.333","0.003","21.185","0.005","90","","90","","90","","4075.4","1.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N3 O3 S -","- C20 H27 N3 O3 S -","- C160 H216 N24 O24 S8 -","8","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.0506","0.0506","","0.0603","","0.0603","","","1.032","","","1.032","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150966","12.94","0.005","9.252","0.005","20.599","0.011","90","","90","","90","","2466","2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Matsuhira, Takashi; Tsuchihashi, Kazuki; Yamamoto, Hitoshi; Okamura, Taka-aki; Ueyama, Norikazu","Novel photosystem involving protonation and deprotonation processes modelled on a PYP photocycle","Organic & Biomolecular Chemistry","2008","6","17","3118","3126","10.1039/b807417h","","","0.71075","MoKα","","0.1008","0.0579","","","0.1136","0.1276","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151028","12.869","0.002","7.4613","0.0014","23.807","0.004","90","","90","","90","","2285.9","0.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones","Organic & Biomolecular Chemistry","2008","6","22","4188","4197","10.1039/b812551a","","","0.71073","MoKα","","0.0821","0.0639","","","0.141","0.1522","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151038","7.2761","0.0003","19.4524","0.0008","36.24","0.001","90","","90","","90","","5129.3","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.","Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.","Organic & biomolecular chemistry","2007","5","1","87","96","10.1039/b611070c","","","0.71073","MoKα","","0.0675","0.0475","","","0.1124","0.123","","","","","","1.03","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151082","9.181","0.009","19.2","0.02","19.68","0.02","90","","90","","90","","3469","6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","1","","Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.","Substituent effects on aromatic stacking interactions.","Organic & biomolecular chemistry","2007","5","7","1062","1080","10.1039/b617576g","","","0.71073","MoKα","","0.1752","0.0727","","","0.1497","0.1921","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151105","17.266","0.007","17.317","0.007","13.791","0.004","90","","90","","90","","4123","3","198.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F5 O P -","- C24 H16 F5 O P -","- C192 H128 F40 O8 P8 -","8","1","","Yamada, Shigeyuki; Ishii, Emi; Konno, Tsutomu; Ishihara, Takashi","Reaction of perfluorocyclopentene with various carbon nucleophiles‒heteroaromatic lithium reagents, enolate and phosphonium ylide.","Organic & biomolecular chemistry","2007","5","9","1442","1449","10.1039/b701702b","","","1.54178","CuKα","","","0.0485","","","","0.117","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151153","15.0402","0.0003","15.3235","0.0003","19.7863","0.0005","90","","90","","90","","4560.12","0.17","200","","200","","","","","","","","?","3","P b c a","-P 2ac 2ab","61","","","","- C27 H26 O6 -","- C27 H26 O6 -","- C216 H208 O48 -","8","1","","Tripoli, Regis; Cayzer, Tory N.; Willis, Anthony C.; Sherburn, Michael S.; Paddon-Row, Michael N.","Stereocontrol of intramolecular Diels‒Alder reactions by an allylic diphenylcyclopropyl group","Organic & Biomolecular Chemistry","2007","5","16","2606","","10.1039/b708324f","","","0.71073","MoKα","","0.0402","0.0325","","0.041","0.0361","0.0361","","","","","","1.0664","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151175","11.3721","0.0014","9.835","0.0013","20.671","0.002","90","","90","","90","","2311.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Fe N O4 -","- C10 H11 Fe N O4 -","- C80 H88 Fe8 N8 O32 -","8","1","","Williams, Iwan; Reeves, Keith; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta4-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade.","Organic & biomolecular chemistry","2007","5","20","3325","3329","10.1039/b710898b","","","1.54178","CuKα","","0.1026","0.0559","","","0.1264","0.1444","","","","","","1.029","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151194","11.3871","0.0016","18.131","0.003","19.855","0.003","90","","90","","90","","4099.3","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Manpadi, Madhuri; Uglinskii, Pavel Y.; Rastogi, Shiva K.; Cotter, Karen M.; Wong, Yin-Shan C; Anderson, Lisa A.; Ortega, Amber J.; Van Slambrouck, Severine; Steelant, Wim F. A.; Rogelj, Snezna; Tongwa, Paul; Antipin, Mikhail Yu; Magedov, Igor V.; Kornienko, Alexander","Three-component synthesis and anticancer evaluation of polycyclic indenopyridines lead to the discovery of a novel indenoheterocycle with potent apoptosis inducing properties.","Organic & biomolecular chemistry","2007","5","23","3865","3872","10.1039/b713820b","","","0.71073","MoKα","","0.0849","0.0448","","","0.0893","0.1028","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151202","14.883","0.004","7.83","0.002","20.587","0.006","90","","90","","90","","2399.1","1.1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","","- C30 H32 N2 -","- C30 H32 N2 -","- C120 H128 N8 -","4","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.0793","0.041","","","0.0978","0.1167","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151256","7.3722","0.0006","25.899","0.002","26.76","0.002","90","","90","","90","","5109.4","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dicarbomethoxy-2,5-di-(4Â-acetoxy-3Â'-methoxy phenyl)-2,3,4,5- tetrahydrofuran","","- C26 H28 O11 -","- C26 H28 O11 -","- C208 H224 O88 -","8","1","","Schatz, Paul F.; Ralph, John; Lu, Fachuang; Guzei, Ilia A.; Bunzel, Mirko","Synthesis and identification of 2,5-bis-(4-hydroxy-3-methoxyphenyl)-tetrahydrofuran-3,4-dicarboxylic acid, an unanticipated ferulate 8-8-coupling product acylating cereal plant cell walls.","Organic & biomolecular chemistry","2006","4","14","2801","2806","10.1039/b605918j","","","0.71073","Mo-Kα","","0.0514","0.0453","","","0.122","0.128","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151292","20.947","0.007","31.759","0.007","8.758","0.007","90","","90","","90","","5826","5","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C288 H280 N8 O16 -","8","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.19307","0.05528","","","0.10825","0.18927","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151339","7.5911","0.0012","14.524","0.002","26.489","0.004","90","","90","","90","","2920.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C144 H88 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0829","0.0408","","","0.0678","0.0776","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151341","7.605","0.002","14.272","0.004","26.587","0.007","90","","90","","90","","2885.7","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.2187","0.0895","","","0.0811","0.1086","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151356","10.675","0.0004","10.8521","0.0005","33.594","0.0012","90","","90","","90","","3891.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetic acid 5-(5-acetoxy-2,2-dimethyl-(1,3)dioxan-5-yl-ONN- azoxy)-2,2-dimethyl-(1,3)dioxan-5-yl ester","","","- C16 H26 N2 O9 -","- C16 H26 N2 O9 -","- C128 H208 N16 O72 -","8","1","","Calvet, Géraldine; Guillot, Régis; Blanchard, Nicolas; Kouklovsky, Cyrille","Intermolecular nitroso Diels-Alder cycloaddition of alpha-acetoxynitroso derivatives in aqueous medium.","Organic & biomolecular chemistry","2005","3","24","4395","4401","10.1039/b513397a","","","0.71073","MoKα","","0.0788","0.0452","","","0.1168","0.1383","","","","","","1.069","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151359","17.092","0.002","30.493","0.003","16.382","0.002","90","","90","","90","","8538.1","1.7","299.2","","299.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H48 O12 -","- C48 H48 O12 -","- C384 H384 O96 -","8","1","","Ashram, Muhammad; Mizyed, Shehadeh; Georghiou, Paris E.","Ester derivatives of hexahomotrioxacalix[3]naphthalenes: conformational and binding properties with alkali metal cations","Organic & Biomolecular Chemistry","2003","1","3","599","","10.1039/b209046p","","","1.5418","CuKα","","0.1917","0.087","","0.091","","0.08","","","1.571","","","2.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151379","8.4604","0.0016","19.74","0.002","16.8","0.002","90","","90","","90","","2805.7","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Heaney, Frances; Fenlon, Julie; McArdle, Patrick; Cunningham, Desmond","α-Keto amides as precursors to heterocycles—generation and cycloaddition reactions of piperazin-5-one nitrones","Organic & Biomolecular Chemistry","2003","1","7","1122","","10.1039/b210943n","","","0.71069","MoKα","","0.0488","0.0435","","","0.1055","0.1105","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151407","13.632","0.003","9.475","0.002","19.185","0.004","90","","90","","90","","2478","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,4,7,10,13-pentaoxacyclopentadecane bis(N,N'- (thiocarbamoyl)hydrazine) clathrate","1,4,7,10,13-pentaoxacyclopentadecane bis[N,N'-(thiocarbamoyl)hydrazine] clathrate","","- C14 H32 N8 O5 S4 -","- C14 H32 N8 O5 S4 -","- C56 H128 N32 O20 S16 -","4","0.5","","Simonov, Yurii A.; Fonari, Marina S.; Zaworotko, Michael J.; Abourahma, Heba; Lipkowski, Janusz; Ganin, Edward V.; Yavolovskii, Arkadii A.","From 1D strands to extended molecular assemblies in the binary compounds of dithiooxamide and dithiobiurea with crown ethers","Organic & Biomolecular Chemistry","2003","1","16","2922","","10.1039/b301379k","","","0.71073","MoKα","","0.0519","0.0411","","","0.0917","0.0971","","","","","","1.079","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151410","9.117","0.001","14.592","0.002","25.69","0.004","90","","90","","90","","3417.7","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O4 S2 -","- C17 H18 O4 S2 -","- C136 H144 O32 S16 -","8","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","0.71073","MoKα","","0.0614","0.0353","","","0.0878","0.1018","","","","","","1.064","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151411","9.399","0.001","14.683","0.001","25.747","0.003","90","","90","","90","","3553.2","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 S2 -","- C17 H18 O5 S2 -","- C136 H144 O40 S16 -","8","1","","Jackson, Richard F. W.; Dunn, Sara F. C.; McCamley, Andrew; Clegg, William","Synthesis and crystal structures of 2-substituted-2-phenylsulfonyloxiranes: evidence for a generalised anomeric effect in 2-phenylsulfonyloxiranesElectronic supplementary information (ESI) available: PDB files of the crystal structures of compounds 5, 6b and 7. See http://www.rsc.org/suppdata/ob/b3/b301409f/","Organic & Biomolecular Chemistry","2003","1","14","2527","","10.1039/b301409f","","","0.71073","MoKα","","0.1736","0.062","","","0.1461","0.1974","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151454","9","0.002","9.594","0.004","26.225","0.007","90","","90","","90","","2264.4","1.2","130","0.2","130","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O3 S -","- C11 H18 O3 S -","- C88 H144 O24 S8 -","8","1","","Spiniello, Marisa; White, Jonathan M.","Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative ?-donor ability of C?H and C?C bonds","Organic & Biomolecular Chemistry","2003","1","17","3094","","10.1039/b303453d","","","0.71069","MoKα","","0.0545","0.0375","","","0.0918","0.1012","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151495","6.822","0.001","23.501","0.005","23.73","0.005","90","","90","","90","","3804.5","1.3","293","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24.5 N2 O7.5 -","- C19 H24.5 N2 O7.5 -","- C152 H196 N16 O60 -","8","1","","Lech Kozerski; Bogdan Kamieński; Robert Kawęcki; Zofia Urbanczyk-Lipkowska; Wojciech Bocian; Elżbieta Bednarek; Jerzy Sitkowski; Katarzyna Zakrzewska; Kim T. Nielsen; Poul Erik Hansen","Solution and solid state 13C NMR and X-ray studies of genistein complexes with amines. Potential biological function of the C-7, C-5, and C-4'-OH groups","Org. Biomol. Chem.","2003","1","20","3578","3585","10.1039/b305991j","","","1.54178","CuKα","","0.0718","0.0643","","","0.1467","0.152","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151502","13.42","0.001","12.95","0.001","14.439","0.001","90","","90","","90","","2509.3","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H9 I3 N2 S -","- C6 H9 I3 N2 S -","- C48 H72 I24 N16 S8 -","8","1","","Thanyasirikul, Yupa; Pakawatchai, Chaveng; Cole, Marcus L.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Reappraising the formation of Jaff�'s base: studies of the treatment of imidazolidine-2-thione with mild oxidising agents","Organic & Biomolecular Chemistry","2003","1","18","3217","","10.1039/b306647a","","","0.71073","MoKα","","0.059","0.037","","0.049","","0.044","","","1.066","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151529","25.555","0.009","15.884","0.002","25.659","0.008","90","","90","","90","","10415","5","288.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H70 Cl24 N6 O12 -","- C84 H66 Cl12 N6 O12 -","- C336 H264 Cl48 N24 O48 -","4","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","0.0928","0.0872","","","0.2452","0.2491","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151536","25.555","0.009","15.884","0.002","25.659","0.008","90","","90","","90","","10415","5","288.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C88 H70 Cl24 N6 O12 -","- C88 H70 Cl24 N6 O12 -","- C352 H280 Cl96 N24 O48 -","4","0.5","","Uno, Hidemitsu; Inoue, Kentarou; Inoue, Takashi; Ono, Noboru","Oligocyclization of 2-(hydroxymethyl)pyrroles with electron-withdrawing groups at ?-positions: formation and structural elucidation of porphyrinogens and hexaphyrinogensElectronic Supporting Information Available: Ortep drawings of 3d�2EtOH, 3d�2DMF, 3e, 3e�2H2O, 3g�2(i-PrOH), 3g�2DMF�2CHCl3, 4a�4CHCl3, 4a�4PhCl, 5a�2PhCl, 5d, 5d��PhCl, and 5e; packing diagrams of 5d and 5d��PhCl; and their X-ray analyses data in CIF format. See http://www.rsc.org/suppdata/ob/b3/b307132d/","Organic & Biomolecular Chemistry","2003","1","21","3857","","10.1039/b307132d","","","0.7107","MoKa","","","0.0727","","","","0.176","","","","","","1.976","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151589","7.621","0.001","8.543","0.001","14.83","0.002","90","","90","","90","","965.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl F N -","- C2 H7 Cl F N -","- C16 H56 Cl8 F8 N8 -","8","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0344","0.0265","","","0.0651","0.0688","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151636","13.912","0.003","5.9518","0.0012","21.173","0.004","90","","90","","90","","1753.2","0.6","100","1","100","1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl N O S -","- C9 H6 Cl N O S -","- C72 H48 Cl8 N8 O8 S8 -","8","1","","Wisastra, Rosalina; Ghizzoni, Massimo; Maarsingh, Harm; Minnaard, Adriaan J.; Haisma, Hidde J.; Dekker, Frank J.","Isothiazolones; thiol-reactive inhibitors of cysteine protease cathepsin B and histone acetyltransferase PCAF.","Organic & biomolecular chemistry","2011","9","6","1817","1822","10.1039/C0OB00464B","","","0.71073","MoKα","","0.0456","0.036","","","0.0875","0.0937","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151659","11.8387","0.0017","16.585","0.002","19.535","0.003","90","","90","","90","","3835.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Phthalimide","","","- C21 H14 N2 O7 -","- C21 H11 N2 O7 -","- C168 H88 N16 O56 -","8","1","","Ramesh, Veera V. E.; Roy, Arup; Vijayadas, Kuruppanthara N.; Kendhale, Amol M.; Prabhakaran, Panchami; Gonnade, Rajesh; Puranik, Vedavati G.; Sanjayan, Gangadhar J.","Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers.","Organic & biomolecular chemistry","2011","9","2","367","369","10.1039/C0OB00593B","","","0.71073","MoKα","","0.0707","0.0525","","","0.1466","0.1635","","","","","","1.032","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151721","14.5032","0.001","9.6882","0.0007","44.522","0.003","90","","90","","90","","6255.8","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O4 -","- C37 H31 N5 O4 -","- C296 H248 N40 O32 -","8","1","","Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut","Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.","Organic & biomolecular chemistry","2011","9","6","1972","1979","10.1039/C0OB00947D","","","0.71073","MoKα","","0.1005","0.0879","","","0.2308","0.2407","","","","","","1.161","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151729","7.5239","0.0004","13.8384","0.0008","22.5279","0.0014","90","","90","","90","","2345.6","0.2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","0.5","","Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash","Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction","Organic & Biomolecular Chemistry","2011","9","12","4507","","10.1039/c0ob00575d","","","0.71073","MoKα","","0.1515","0.049","","","0.1062","0.1486","","","","","","0.91","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151793","17.6246","0.0014","12.9407","0.0011","20.1134","0.0017","90","","90","","90","","4587.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F3 N2 O3 S -","- C24 H23 F3 N2 O3 S -","- C192 H184 F24 N16 O24 S8 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Bautista, Delia; Jones, Peter G.","Synthesis of a family of 3-alkyl- or 3-aryl-substituted 1,2-dihydroquinazolinium salts and their isomerization to 4-iminium-1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2011","9","7","2279","2285","10.1039/c0ob00982b","","","0.71073","MoKα","","0.1136","0.0837","","","0.203","0.2232","","","","","","1.029","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151848","10.434","0.002","7.7903","0.0016","17.852","0.004","90","","90","","90","","1451.1","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F2 O4 -","- C16 H14 F2 O4 -","- C64 H56 F8 O16 -","4","0.5","","Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.","Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers","Organic & Biomolecular Chemistry","2011","9","13","4842","","10.1039/c1ob05041a","","","0.71073","MoKα","","0.1011","0.0875","","","0.2396","0.2567","","","","","","1.086","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151944","11.0874","0.0006","7.5403","0.0004","18.872","0.001","90","","90","","90","","1577.74","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,6-Dibromo-1H-indole","5,6-Dibromo-1H-indole","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C64 H40 Br16 N8 -","8","1","","Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.","Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.","Organic & biomolecular chemistry","2011","9","14","5021","5023","10.1039/c1ob05522d","","","1.54184","CuKα","","0.0281","0.0279","","","0.0777","0.0778","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152006","7.6651","0.0006","13.1131","0.0009","29.874","0.002","90","","90","","90","","3002.7","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H34 N2 O12 -","- C28 H34 N2 O12 -","- C112 H136 N8 O48 -","4","0.5","","Wang, Liang; Xia, Xu-Dong; Guo, Wei; Chen, Jia-Rong; Xiao, Wen-Jing","Palladium-catalyzed C-H acetoxylation of 2-methoxyimino-2-aryl-acetates and acetamides.","Organic & biomolecular chemistry","2011","9","20","6895","6898","10.1039/c1ob05887h","","","0.71073","MoKα","","0.0485","0.0418","","","0.1173","0.1216","","","","","","1.054","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152019","10.9806","0.0006","8.1088","0.0004","26.2218","0.0015","90","","90","","90","","2334.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.09","0.0412","","","0.0945","0.1257","","","","","","1.009","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152037","11.7252","0.0009","8.7848","0.0007","33.465","0.003","90","","90","","90","","3447","0.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H20 N4 Se2 -","- C13 H20 N4 Se2 -","- C104 H160 N32 Se16 -","8","1","","Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy","Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.","Organic & biomolecular chemistry","2011","9","21","7343","7350","10.1039/c1ob05773a","","","0.71073","MoKα","","0.1313","0.0601","","","0.127","0.1419","","","","","","0.837","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152047","7.5097","0.0005","14.8345","0.001","27.016","0.002","90","","90","","90","","3009.7","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-((E)-3-(4-nitrophenyl)allylidene)- 3,4-dihydronaphthalen-2(1H)-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C152 H120 N8 O24 -","8","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0633","0.0412","","","0.0956","0.1065","","","","","","1.024","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152141","16.337","0.002","9.364","0.002","36.071","0.003","90","","90","","90","","5518.1","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N4 S6 -","- C26 H24 N4 S6 -","- C208 H192 N32 S48 -","8","1","","Rivadehi, Shadi; Reid, Ellen F.; Hogan, Conor F.; Bhosale, Sheshanath V.; Langford, Steven J.","Fluoride-selective optical sensor based on the dipyrrolyl-tetrathiafulvalene chromophore.","Organic & biomolecular chemistry","2012","10","4","705","709","10.1039/c1ob06459b","","","0.77051","","","0.0374","0.0351","","","0.0986","0.1001","","","","","","1.061","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152177","5.5511","0.0001","15.6885","0.0003","25.0161","0.0007","90","","90","","90","","2178.61","0.08","150","","150","","","","","","","","synthetic","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Donohoe, Timothy J.; Kabeshov, Mikhail A.; Rathi, Akshat H.; Smith, Ian E. D.","Direct preparation of thiazoles, imidazoles, imidazopyridines and thiazolidines from alkenes.","Organic & biomolecular chemistry","2012","10","5","1093","1101","10.1039/c1ob06587d","","","0.71073","MoKα","","0.0875","0.0646","","0.1802","0.1629","0.1799","","","","","","0.9956","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152195","8.4693","0.0008","19.713","0.003","22.265","0.002","90","","90","","90","","3717.3","0.7","291.15","","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N O2 -","- C22 H33 N O2 -","- C176 H264 N8 O16 -","8","1","","Liu, Xiao-Yu; Cheng, Hang; Li, Xiao-Huan; Chen, Qiao-Hong; Xu, Liang; Wang, Feng-Peng","Oxidative dearomatization/intramolecular Diels-Alder cycloaddition cascade for the syntheses of (±)-atisine and (±)-isoazitine.","Organic & biomolecular chemistry","2012","10","7","1411","1417","10.1039/c1ob06704d","","","1.5418","CuKα","","0.0584","0.0451","","","0.12","0.129","","","","","","1.041","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152198","14.113","0.006","14.919","0.005","19.801","0.005","90","","90","","90","","4169","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C192 H224 N16 O24 -","8","1","","Sharma, Ankit; Besnard, Céline; Guénée, Laure; Lacour, Jérôme","Asymmetric synthesis of ethano-Tröger bases using CuTC-catalyzed diazo decomposition reactions.","Organic & biomolecular chemistry","2012","10","5","966","969","10.1039/c1ob06751f","","","0.71073","MoKα","","0.0576","0.0561","","0.1193","0.1189","0.1193","","","","","","0.9975","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152292","7.046","0.003","16.235","0.007","24.642","0.011","90","","90","","90","","2819","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 F2 O3 -","- C14 H18 F2 O3 -","- C112 H144 F16 O24 -","8","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0712","0.0498","","","0.1087","0.1184","","","","","","1.042","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152304","7.0008","0.0002","9.0561","0.0002","24.0388","0.0005","90","","90","","90","","1524.06","0.06","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O4 -","- C8 H10 O4 -","- C64 H80 O32 -","8","1","","Naud, Sébastien; Macnaughton, Sarah J.; Dyson, Bryony S.; Woollaston, Daniel J.; Dallimore, Jonathan W. P.; Robertson, Jeremy","Conformational preferences of oxy-substituents in butenolide-tetrahydropyran spiroacetals and butenolide-piperidine spiro-N,O-acetals.","Organic & biomolecular chemistry","2012","10","17","3506","3518","10.1039/c2ob06849d","","","0.71073","MoKα","","0.0536","0.0363","","0.102","0.0972","0.102","","","","","","1.0222","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152493","13.062","0.0011","12.0982","0.0008","16.2166","0.0013","90","","90","","90","","2562.7","0.3","169","2","169","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke","Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.","Organic & biomolecular chemistry","2012","10","30","6003","6009","10.1039/c2ob25423a","","","0.71075","MoKα","","0.0562","0.044","","","0.1169","0.1234","","","","","","1.059","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152508","6.7145","0.0004","15.9589","0.0009","23.1949","0.0013","90","","90","","90","","2485.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","diethylboronpicoline-14dicyanobenzene","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","0.5","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0568","0.0399","","","0.0892","0.0986","","","","","","1.015","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152559","16.8468","0.0003","14.7846","0.0002","24.5438","0.0004","90","","90","","90","","6113.2","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H40 B2 F4 N4 -","- C34 H40 B2 F4 N4 -","- C272 H320 B16 F32 N32 -","8","1","","Nakamura, Mitsunori; Tahara, Hiroyuki; Takahashi, Kohtaro; Nagata, Toshi; Uoyama, Hiroki; Kuzuhara, Daiki; Mori, Shigeki; Okujima, Tetsuo; Yamada, Hiroko; Uno, Hidemitsu","π-Fused bis-BODIPY as a candidate for NIR dyes.","Organic & biomolecular chemistry","2012","10","34","6840","6849","10.1039/c2ob25930c","","","1.54187","CuKα","","0.0489","0.0421","","","0.1072","0.1109","","","","","","1.075","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152580","9.7328","0.001","11.2756","0.0008","35.715","0.004","90","","90","","90","","3919.5","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O2 Si2 -","- C20 H22 O2 Si2 -","- C160 H176 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0639","0.0402","","","0.1021","0.1109","","","","","","1.014","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152587","10.3734","0.0006","11.1736","0.0007","36.103","0.002","90","","90","","90","","4184.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 O2 Si2 -","- C22 H24 O2 Si2 -","- C176 H192 O16 Si16 -","8","1","","Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold","Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.","Organic & biomolecular chemistry","2012","10","34","6914","6929","10.1039/c2ob25989c","","","0.71073","MoKα","","0.0634","0.0469","","","0.1125","0.1229","","","","","","1.03","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152591","7.8267","0.0006","11.7766","0.0008","26.1425","0.0019","90","","90","","90","","2409.6","0.3","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sbudh02","","","- C13 H13 D3 N2 O5 -","- C13 H13 D3 N2 O5 -","- C104 H104 D24 N16 O40 -","8","1","","Samuel, David; Norrell, Kirsten; Hilmey, David G.","Novel ring chemistry of vitamin B(6) with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2012","10","36","7278","7281","10.1039/c2ob26067k","","","0.71073","MoKα","","0.0577","0.0434","","","0.1174","0.1236","","","","","","1.053","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152599","7.6581","0.0001","8.0433","0.0002","50.1404","0.0007","90","","90","","90","","3088.47","0.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O -","- C21 H17 N O -","- C168 H136 N8 O8 -","8","1","","Jiang, Xin-Dong; Gao, Ruina; Yue, Yi; Sun, Guo-Tao; Zhao, Weili","A NIR BODIPY dye bearing 3,4,4a-trihydroxanthene moieties.","Organic & biomolecular chemistry","2012","10","34","6861","6865","10.1039/c2ob26218e","","","0.71073","MoKα","","0.1188","0.0937","","","0.2036","0.216","","","","","","1.152","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152614","16.028","0.0012","14.4028","0.0012","21.1809","0.0018","90","","90","","90","","4889.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O6 -","- C32 H23 N O6 -","- C256 H184 N8 O48 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0823","0.0553","","","0.1514","0.1638","","","","","","1.032","","","","has coordinates,has disorder","180312","2020-10-21","18:00:00",""
"7152616","11.3807","0.0005","8.1698","0.0004","40.685","0.0016","90","","90","","90","","3782.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 O10 -","- C20 H18 O10 -","- C160 H144 O80 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.0611","0.0516","","","0.1209","0.1248","","","","","","1.09","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152624","7.6625","0.0007","22.434","0.002","25.438","0.003","90","","90","","90","","4372.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H20 O3 S -","- C29 H20 O3 S -","- C232 H160 O24 S8 -","8","1","","Iaroshenko, Viktor O.; Savych, Iryna; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Langer, Peter","Reactions of 3-acylchromones with dimethyl 1,3-acetonedicarboxylate and 1,3-diphenylacetone: one-pot synthesis of functionalized 2-hydroxybenzophenones, 6H-benzo[c]chromenes and benzo[c]coumarins.","Organic & biomolecular chemistry","2012","10","47","9344","9348","10.1039/c2ob07020k","","","0.71073","MoKα","","0.1469","0.0646","","","0.1225","0.1549","","","","","","1.003","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152626","9.9646","0.0004","11.9986","0.0005","19.3145","0.0007","90","","90","","90","","2309.27","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxy-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0569","0.0447","","","0.0928","0.098","","","","","","1.138","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152636","15.9448","0.0012","7.743","0.0006","26.4365","0.0018","90","","90","","90","","3263.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1!-Methyl-2!,4!-dihydro-1!H-spiro(indene-2,3!-naphtho[1,8-bc]azepine)-1,3-dione","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","1","","Lari, Alberth; Pitak, Matuesz B.; Coles, Simon J.; Rees, Gregory J.; Day, Stephen P.; Smith, Mark E.; Hanna, John V.; Wallis, John D.","Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde.","Organic & biomolecular chemistry","2012","10","38","7763","7779","10.1039/c2ob25929j","","","0.71073","MoKα","","0.0919","0.0472","","","0.1088","0.1192","","","","","","0.993","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152665","12.238","0.004","8.006","0.003","28.867","0.01","90","","90","","90","","2828.3","1.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","McIntosh, Melissa L.; Naffziger, Michael R.; Ashburn, Bradley O.; Zakharov, Lev N.; Carter, Rich G.","Highly regioselective nitrile oxide dipolar cycloadditions with ortho-nitrophenyl alkynes.","Organic & biomolecular chemistry","2012","10","46","9204","9213","10.1039/c2ob26267c","","","0.71073","MoKα","","0.1151","0.0641","","","0.159","0.1919","","","","","","1.062","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152778","15.6275","0.0012","14.9143","0.0011","20.234","0.0015","90","","90","","90","","4716","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8.5 H11.5 Cl1.5 N5 O -","- C8.5 H11.5 Cl1.5 N5 O -","- C136 H184 Cl24 N80 O16 -","16","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.038","0.0353","","","0.0941","0.0967","","","","","","1.03","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152795","9.0702","0.0012","15.872","0.002","19.619","0.003","90","","90","","90","","2824.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C136 H104 F8 O16 -","8","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0669","0.0472","","","0.1367","0.1478","","","","","","1.091","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152901","13.826","0.003","9.5792","0.0019","16.063","0.003","90","","90","","90","","2127.4","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0722","0.061","","","0.1202","0.1253","","","","","","1.191","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153026","15.05","0.005","8.96","0.003","21.187","0.007","90","","90","","90","","2857","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Annulated Coumarin","5,6-dihydro-4H-benzo[f]naptho[2,1-c]chromen-4-one","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.71073","MoKα","","0.106","0.063","","","0.1501","0.204","","","","","","1.083","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153127","9.3019","0.0005","16.7028","0.0018","20.7326","0.0014","90","","90","","90","","3221.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0743","0.0593","","","0.1613","0.1796","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153189","11.3776","0.0002","15.959","0.0003","26.0724","0.0004","90","","90","","90","","4734.1","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C240 H192 O48 -","8","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0454","0.0362","","","0.0924","0.0988","","","","","","1.029","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153215","18.522","0.004","11.47","0.003","20.22","0.005","90","","90","","90","","4295.7","1.8","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C160 H272 S32 -","8","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71073","MoKα","","0.0781","0.0467","","","0.1307","0.1693","","","","","","0.707","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153228","7.8254","0.0008","19.61","0.002","22.533","0.003","90","","90","","90","","3457.8","0.7","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","","- C16 H17 Cl N2 O4 S -","- C16 H17 Cl N2 O4 S -","- C128 H136 Cl8 N16 O32 S8 -","8","1","","Zhi, San-Jun; Sun, Hao; Zhang, Guangqian; Li, Guigen; Pan, Yi","New catalytic system for aminohalogenation of beta-methyl-beta-nitrostyrenes to give opposite regiochemistry.","Organic & biomolecular chemistry","2010","8","3","628","631","10.1039/b914944a","","","0.71073","MoKα","","0.0782","0.0563","","","0.1203","0.1251","","","","","","1.012","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153255","11.5561","0.0015","11.706","0.0016","27.578","0.003","90","","90","","90","","3730.6","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Petrova, Tetyana; Tarabara, Igor; Palchikov, Vitaliy; Kasyan, Liliya; Kosenkov, Dmytro; Okovytyy, Sergiy; Gorb, Leonid; Shishkina, Svetlana; Shishkin, Oleg; Leszczynski, Jerzy","Ethanolysis of N-substituted norbornane epoxyimides: discovery of diverse pathways depending on substituent's character.","Organic & biomolecular chemistry","2010","8","9","2142","2157","10.1039/b917850c","","","0.71073","MoKα","","0.1482","0.07","","","0.1719","0.2005","","","","","","0.882","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153284","17.0042","0.0008","18.6505","0.0013","20.0765","0.0014","90","","90","","90","","6367","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H49 I N2 -","- C34 H49 I N2 -","- C272 H392 I8 N16 -","8","1","","Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi","On new N-heterocyclic carbene derived alkylidene imidazolines.","Organic & biomolecular chemistry","2010","8","7","1695","1705","10.1039/b921655c","","","0.71073","MoKα","","0.2076","0.0799","","","0.2172","0.2583","","","","","","1.051","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153308","14.556","0.002","5.8313","0.0009","33.051","0.005","90","","90","","90","","2805.4","0.7","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Se -","- C18 H16 Se -","- C144 H128 Se8 -","8","1","","Hua, Guoxiong; Henry, John B.; Li, Yang; Mount, Andrew R.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis of novel 2,5-diarylselenophenes from selenation of 1,4-diarylbutane-1,4-diones or methanol/arylacetylenes.","Organic & biomolecular chemistry","2010","8","7","1655","1660","10.1039/b924986a","","","0.71073","MoKα","","0.0821","0.056","","","0.1337","0.1478","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153311","14.46","0.002","7.799","0.0012","33.363","0.005","90","","90","","90","","3762.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O4 -","- C26 H16 O4 -","- C208 H128 O32 -","8","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.088","0.0581","","","0.1375","0.1509","","","","","","0.891","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153346","17.2196","0.0007","27.2811","0.0013","10.2859","0.0004","90","","90","","90","","4832","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H31 N3 O8 -","- C20 H31 N3 O8 -","- C160 H248 N24 O64 -","8","1","","Liu, Yu; Oliveira, Bruno L.; Correia, João D G; Santos, Isabel C.; Santos, Isabel; Spingler, Bernhard; Alberto, Roger","Syntheses of bifunctional 2,3-diamino propionic acid-based chelators as small and strong tripod ligands for the labelling of biomolecules with (99m)Tc.","Organic & biomolecular chemistry","2010","8","12","2829","2839","10.1039/c002796k","","","0.71073","MoKα","","0.072","0.0604","","","0.1629","0.1686","","","","","","1.102","","","","has coordinates,has disorder","180319","2020-10-21","18:00:00",""
"7153361","15.1281","0.0004","18.3334","0.0006","19.8424","0.0006","90","","90","","90","","5503.3","0.3","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H32 -","- C38 H32 -","- C304 H256 -","8","1","","Rao, Weidong; Chan, Philip Wai Hong","Unexpected iron(III) chloride-catalysed dimerisation of 1,1,3-trisubstituted-prop-2-yn-1-ols as an expedient route to highly conjugated indenes.","Organic & biomolecular chemistry","2010","8","17","4016","4025","10.1039/c003522j","","","0.71073","MoKα","","0.1146","0.073","","","0.1831","0.2103","","","","","","1.047","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153378","6.5326","0.0019","16.022","0.007","21.032","0.006","90","","90","","90","","2201.3","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","","Singh, Vishwakarma; Sahu, Bharat Chandra; Bansal, Varsha; Mobin, Shaikh M.","Intramolecular cycloaddition in 6,6-spiroepoxycyclohexa-2,4-dienone: simple aromatics to (+/-)-platencin.","Organic & biomolecular chemistry","2010","8","19","4472","4481","10.1039/c004316h","","","0.71073","MoKα","","0.0834","0.0357","","","0.0793","0.0871","","","","","","0.827","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153452","9.942","0.0004","19.4575","0.0007","23.8119","0.0009","90","","90","","90","","4606.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N -","- C33 H25 N -","- C264 H200 N8 -","8","1","","Alajarin, Mateo; Bonillo, Baltasar; Ortin, Maria-Mar; Sanchez-Andrada, Pilar; Vidal, Angel; Orenes, Raul-Angel","Domino reactions initiated by intramolecular hydride transfers from tri(di)arylmethane fragments to ketenimine and carbodiimide functions.","Organic & biomolecular chemistry","2010","8","20","4690","4700","10.1039/c0ob00193g","","","0.71073","MoKα","","0.0555","0.0504","","","0.1222","0.1259","","","","","","1.046","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153498","10.5576","0.0002","14.9916","0.0003","20.3173","0.0003","90","","90","","90","","3215.73","0.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O3 S2 -","- C17 H14 N2 O3 S2 -","- C136 H112 N16 O24 S16 -","8","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.; Rodríguez, Valentín","Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties.","Organic & biomolecular chemistry","2010","8","23","5367","5374","10.1039/c0ob00416b","","","0.71073","MoKα","","0.0633","0.0493","","","0.0931","0.101","","","","","","1.074","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153502","10.4066","0.0001","20.7845","0.0002","26.5729","0.0004","90","","90","","90","","5747.61","0.12","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C26 H42 O4 Si2 -","- C26 H42 O4 Si2 -","- C208 H336 O32 Si16 -","8","1","","Blanc, Romain; Héran, Virginie; Rahmani, Raphaël; Commeiras, Laurent; Parrain, Jean-Luc","Diels-Alder cycloaddition of o-quinonedimethides and alkylidene-5H-furan-2-ones: new and rapid access to lambertellol cores and arthrinone derivatives.","Organic & biomolecular chemistry","2010","8","24","5490","5494","10.1039/c0ob00448k","","x-ray","0.71073","MoKα","","0.0964","0.0688","","","0.1816","0.2044","","","","","","1.063","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153505","9.323","0.001","14.554","0.004","27.618","0.003","90","","90","","90","","3747.4","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4- dihydropyridine‒3,5-dicarboxylate","Dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- -3,5-dicarboxylate","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C152 H184 N8 O48 -","8","1","","Giorgi, Gianluca; Adamo, Mauro F. A.; Ponticelli, Fabio; Ventura, Antonio","Synthesis, structural and conformational properties, and gas phase reactivity of 1,4-dihydropyridine ester and ketone derivatives.","Organic & biomolecular chemistry","2010","8","23","5339","5344","10.1039/c0ob00494d","","","0.71073","MoKα","","0.0651","0.0435","","","0.1004","0.1117","","","","","","1.015","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153538","14.1926","0.0007","14.1055","0.0009","18.319","0.0011","90","","90","","90","","3667.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","7-NEt2,4'-OH","","- C19 H20 B F4 N O2 -","- C19 H20 B F4 N O2 -","- C152 H160 B8 F32 N8 O16 -","8","1","","Moncada, Margarida C.; Fern�ndez, Dami�n; Lima, Jo�o C.; Parola, A. Jorge; Lodeiro, Carlos; Folgosa, Filipe; Melo, M. Jo�o; Pina, Fernando","Multistate properties of 7-(N,N-diethylamino)-4?-hydroxyflavylium. An example of an unidirectional reaction cycle driven by pH","Organic & Biomolecular Chemistry","2004","2","19","2802","2808","10.1039/b409260k","","","1.5418","CuKα","","0.0886","0.0607","","","0.1549","0.1975","","","","","","0.998","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153567","12.8346","0.0013","7.4175","0.0009","17.3968","0.0016","90","","90","","90","","1656.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N2 O2 -","- C7 H5 Br N2 O2 -","- C56 H40 Br8 N16 O16 -","8","1","","Lone, Ali Mohd; Bhat, Bilal Ahmad","Metal free stereoselective synthesis of functionalized enamides.","Organic & biomolecular chemistry","2014","12","2","242","246","10.1039/c3ob41847b","","","0.71073","MoKα","","0.0754","0.0437","","","0.0936","0.1071","","","","","","1.051","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153574","10.5172","0.0008","17.5717","0.0006","20.0963","0.0011","90","","90","","90","","3713.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N O -","- C22 H16 I N O -","- C176 H128 I8 N8 O8 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.1465","0.0741","","","0.1273","0.1546","","","","","","1.106","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153585","14.886","0.004","8.048","0.002","17.59","0.004","90","","90","","90","","2107.3","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Acetyl-1-aza-2-Methoxy-7-methylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0792","0.0635","","","0.1385","0.1466","","","","","","1.17","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153614","13.4815","0.0004","8.2127","0.0003","28.9529","0.0009","90","","90","","90","","3205.65","0.18","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H N O S -","- C3.99695 H3.04457 O0.380952 S0.187429 -","- C167.872 H127.872 O16 S7.872 -","42","5.25","","Sivaraman, Mahalingam; Perumal, Paramasivan T.","Synthesis of tetracyclic chromenones via platinum(ii) chloride catalysed cascade cyclization of enediyne-enones.","Organic & biomolecular chemistry","2014","12","8","1318","1327","10.1039/c3ob41911h","","","0.71073","MoKα","","0.0456","0.0357","","","0.0818","0.0894","","","","","","1.089","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153677","13.8234","0.0014","14.4667","0.0014","24.486","0.002","90","","90","","90","","4896.7","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H33 N3 O -","- C29 H33 N3 O -","- C232 H264 N24 O8 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0982","0.0495","","","0.1019","0.1239","","","","","","1.023","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153717","7.5275","0.0001","27.5908","0.0006","26.168","0.0006","90","","90","","90","","5434.83","0.19","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.084","0.0631","","","0.1804","0.1934","","","","","","1.099","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153718","20.9635","0.0003","13.2472","0.0002","22.6274","0.0004","90","","90","","90","","6283.8","0.17","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.1275","","","","0.2983","","","","","","1.042","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153738","14.2395","0.0019","7.5461","0.001","32.144","0.004","90","","90","","90","","3454","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N -","- C25 H17 N -","- C200 H136 N8 -","8","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1219","0.0498","","","0.1021","0.1364","","","","","","0.993","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153865","11.6403","0.0009","14.5767","0.0011","16.4463","0.0012","90","","90","","90","","2790.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl4 Cu2 N4 O4 -","- C20 H32 Cl4 Cu2 N4 O4 -","- C80 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0354","0.0264","","","0.0676","0.0722","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153869","10.892","0.002","7.9279","0.0018","19.835","0.004","90","","90","","90","","1712.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 F N O2 -","- C10 H6 F N O2 -","- C80 H48 F8 N8 O16 -","8","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.068","0.0601","","","0.114","0.1175","","","","","","1.287","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153882","11.7026","0.0004","9.9471","0.0003","28.8577","0.0012","90","","90","","90","","3359.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(1-Oxo-2,2,6,6-tetramethylpiperidin-4-yl)-pivalamide","","- C14 H27 N2 O2 -","- C14 H27 N2 O2 -","- C112 H216 N16 O16 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.7107","MoKα","","0.0693","0.0507","","","","0.1554","","","","","","1.0712","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153885","8.28928","0.00018","19.4108","0.0004","26.6839","0.0005","90","","90","","90","","4293.48","0.15","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-N, N-bis-(1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine","","- C20 H37 N3 O3 -","- C20 H37 N3 O3 -","- C160 H296 N24 O24 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0582","0.0498","","","0.1366","0.1435","","","","","","1.069","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153888","15.9828","0.0014","6.8208","0.0006","34.232","0.003","90","","90","","90","","3731.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate)","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0419","0.0383","","","0.0986","0.1018","","","","","","1.049","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153945","30.245","0.006","14.537","0.003","10.379","0.002","90","","90","","90","","4563.4","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B N O4 S -","- C22 H28 B N O4 S -","- C176 H224 B8 N8 O32 S8 -","8","1","","He, Guangke; Chen, Shan; Wang, Qiang; Huang, Hai; Zhang, Qijun; Zhang, Dongming; Zhang, Rong; Zhu, Hongjun","Studies on copper(i)-catalyzed highly regio- and stereo-selective hydroboration of alkynamides.","Organic & biomolecular chemistry","2014","12","31","5945","5953","10.1039/c4ob00979g","","","0.71073","MoKα","","0.1949","0.068","","","0.1238","0.1719","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153947","9.6034","0.0005","15.7805","0.0008","19.7861","0.001","90","","90","","90","","2998.5","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,3aS,6R,6aR)-1-(2-bromophenyl)-6-phenyl-hexahydrofuro[3,4-c]furan","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","1","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0405","0.0314","","","0.0824","0.0903","","","","","","1.082","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153978","7.476","0.0006","20.8897","0.0014","23.5283","0.0017","90","","90","","90","","3674.4","0.5","120","2","120.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-methyl-4-phenyl-pyridine","","- C12 H11 N -","- C12 H11 N -","- C192 H176 N16 -","16","2","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0678","0.0391","","","0.0942","0.1069","","","","","","1.007","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154032","11.6541","0.001","7.3177","0.0006","33.887","0.003","90","","90","","90","","2889.9","0.4","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F3 N O -","- C19 H10 F3 N O -","- C152 H80 F24 N8 O8 -","8","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1727","0.0618","","","0.123","0.166","","","","","","0.949","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154036","12.295","0.003","7.7566","0.0016","33.943","0.008","90","","90","","90","","3237.1","1.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1491","0.0572","","","0.1013","0.1216","","","","","","0.948","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154177","10.516","0.003","16.68","0.004","27.091","0.006","90","","90","","90","","4752","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C248 H184 N8 O32 -","8","1","","Liu, Xiong-Li; Pan, Bo-Wen; Zhang, Wen-Hui; Yang, Chao; Yang, Jun; Shi, Yang; Feng, Ting-Ting; Zhou, Ying; Yuan, Wei-Cheng","A highly efficient and eco-friendly method for the synthesis of 1,3-indandione ring-fused 3-oxindoles bearing two contiguous quaternary stereocenters via an aldol reaction in aqueous media.","Organic & biomolecular chemistry","2015","13","2","601","611","10.1039/c4ob02103g","","","0.71073","MoKα","","0.0753","0.0513","","","0.1302","0.147","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154214","14.5655","0.0005","8.3351","0.0003","26.0998","0.001","90","","90","","90","","3168.6","0.2","223.1","0.3","223.1","0.3","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","Thiaplakortone A hydrochoride dihydrate","","","- C12 H16 Cl N3 O6 S -","- C12 H16 Cl N3 O6 S -","- C96 H128 Cl8 N24 O48 S8 -","8","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0682","0.0516","","","0.114","0.1221","","","","","","1.109","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154250","13.7407","0.0018","15.432","0.002","24.564","0.003","90","","90","","90","","5208.7","1.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H30 O9 -","- C28 H30 O9 -","- C224 H240 O72 -","8","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.1189","0.0756","","","0.201","0.2417","","","","","","0.792","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154301","17.409","0.003","11.222","0.002","21.848","0.004","90","","90","","90","","4268.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(2-(2-Hydroxy-5-methylbenzoyl)-8-methyl-4-oxo-4H-furo[3,2-c]chromen-3-yl)benzonitrile","5c","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.0732","0.0493","","","0.128","0.1485","","","","","","1.041","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154311","14.054","0.001","11.4353","0.0006","21.489","0.001","90","","90","","90","","3453.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F4 N2 O P -","- C17 H13 F4 N2 O P -","- C136 H104 F32 N16 O8 P8 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0992","0.0612","","","0.1561","0.1785","","","","","","0.989","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154330","14.222","0.005","8.925","0.005","25.35","0.005","90","0.005","90","0.005","90","0.005","3218","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N3 S -","- C17 H14 F3 N3 S -","- C136 H112 F24 N24 S8 -","8","1","","Zhu, Jiayi; Chen, Yu; Lin, Feng; Wang, Baoshuang; Chen, Zhengwang; Liu, Liangxian","NiSO4-catalyzed C-H activation/C-S cross-coupling of 1,2,3-triazole N-oxides with thiols.","Organic & biomolecular chemistry","2015","13","12","3711","3720","10.1039/c4ob02586e","","","0.71069","MoKα","","0.0677","0.0444","","","0.1188","0.1327","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154349","12.5161","0.001","14.0082","0.0011","27.051","0.002","90","","90","","90","","4742.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F3 N2 O3 -","- C12 H9 F3 N2 O3 -","- C192 H144 F48 N32 O48 -","16","2","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0778","0.0665","","","0.1543","0.1646","","","","","","1.209","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154401","11.7297","0.0005","8.2689","0.0005","34.713","0.002","90","","90","","90","","3366.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C144 H192 O40 -","8","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.1087","0.0737","","","0.1887","0.22","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154490","23.7902","0.0019","30.832","0.002","43.42","0.003","90","","90","","90","","31849","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB7","CB7","","- C56 H103 I2 N30 O29.5 -","- C56 H92 I2 N30 O29.535 -","- C896 H1472 I32 N480 O472.56 -","16","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.053","0.0404","","","0.1026","0.1117","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154543","7.4947","0.0011","13.0618","0.0018","21.098","0.003","90","","90","","90","","2065.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-methyl-3-nitropyrazolo[1,5-a]quinoline","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0876","0.084","","","0.1622","0.1637","","","","","","1.399","","","","has coordinates","153266","2020-10-21","18:00:00",""
"7154566","8.369","0.003","10.336","0.002","21.421","0.007","90","","90","","90","","1853","1","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 N2 S6 -","- C18 H10 N2 S6 -","- C72 H40 N8 S24 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0847","0.0614","","","0.1344","0.1443","","","","","","1.076","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154618","9.661","0.01","18.921","0.019","35.7","0.04","90","","90","","90","","6526","12","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 O2 Si5 -","- C26 H50 O2 Si5 -","- C208 H400 O16 Si40 -","8","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.1718","0.0578","","","0.1258","0.1735","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154639","13.823","0.004","7.673","0.002","27.213","0.007","90","","90","","90","","2886.3","1.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Nostodione A methyl ether","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C152 H104 N8 O24 -","8","1","","McNulty, James; Keskar, Kunal; Jenkins, Hilary A.; Werstiuk, Nick H.; Bordón, Claudia; Yolken, Robert; Jones-Brando, Lorraine","Synthesis of the cyanobacterial metabolite nostodione A, structural studies and potent antiparasitic activity against Toxoplasma gondii.","Organic & biomolecular chemistry","2015","13","39","10015","10024","10.1039/c5ob01506e","","","0.71073","MoKα","","0.1062","0.0557","","","0.1127","0.1316","","","","","","1.016","","","","has coordinates","162168","2020-10-21","18:00:00",""
"7154645","10.274","0.002","25.257","0.005","26.703","0.005","90","","90","","90","","6929","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N O3 -","- C37 H55 N O3 -","- C296 H440 N8 O24 -","8","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.1599","0.099","","","0.2408","0.2808","","","","","","1.038","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154663","9.999","0.003","16.21","0.005","16.317","0.005","90","","90","","90","","2644.7","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-N-(2-(phenylsulfonyl)ethylidene)morpholin-4-amine","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Zheng, Danqing; Kuang, Yunyan; Wu, Jie","A four-component reaction of aryldiazonium tetrafluoroborates, sulfur dioxide, 1,2-dibromoethane, and hydrazines.","Organic & biomolecular chemistry","2015","13","41","10370","10375","10.1039/c5ob01765c","","","0.71073","MoKα","","0.0721","0.0446","","","0.101","0.1077","","","","","","0.911","","","","has coordinates","171335","2020-10-21","18:00:00",""
"7154677","15.275","0.003","14.422","0.002","17.487","0.003","90","","90","","90","","3852.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-trifluoroacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H18 F3 N2 O3 -","- C23 H18 F3 N2 O3 -","- C184 H144 F24 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.15","0.0652","","","0.1398","0.1705","","","","","","0.81","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154679","17.583","0.002","11.5915","0.0014","17.893","0.002","90","","90","","90","","3646.8","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethylacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0897","0.0506","","","0.118","0.147","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154704","16.864","0.003","7.2505","0.0013","32.735","0.006","90","","90","","90","","4002.6","1.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 Cl N O2 S -","- C25 H16 Cl N O2 S -","- C200 H128 Cl8 N8 O16 S8 -","8","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.2009","0.1412","","","0.3957","0.4273","","","","","","1.14","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154785","18.9983","0.0006","11.2142","0.0003","20.2881","0.0007","90","","90","","90","","4322.4","0.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-butyl (3-fluorobicyclo[1.1.1]pentan-1-yl)carbamate","","- C10 H16 F N O2 -","- C10 H16 F N O2 -","- C160 H256 F16 N16 O32 -","16","2","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0755","0.0456","","","0.1013","0.1183","","","","","","1.019","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154799","13.7811","0.0012","13.3475","0.0011","16.9711","0.0015","90","","90","","90","","3121.7","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1092","0.1189","","","","","","1.054","","","","has coordinates","176189","2020-10-21","18:00:00",""
"7154806","12.9877","0.0003","7.4549","0.0002","31.4842","0.0009","90","","90","","90","","3048.36","0.14","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Xu, Zhenghu","Zn/Sc bimetallic relay catalysis: one pot cycloisomerization/carbonyl-ene reaction toward oxazole derivatives.","Organic & biomolecular chemistry","2016","14","3","826","829","10.1039/c5ob02158h","","","0.71073","MoKα","","0.1119","0.0892","","","0.2516","0.2703","","","","","","1.054","","","","has coordinates","176161","2020-10-21","18:00:00",""
"7154884","12.9462","0.0007","14.7915","0.0007","21.2167","0.0008","90","","90","","90","","4062.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O6 S -","- C18 H23 N3 O6 S -","- C144 H184 N24 O48 S8 -","8","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0996","0.0565","","","0.1307","0.1488","","","","","","1.062","","","","has coordinates","176166","2020-10-21","18:00:00",""
"7154909","20.7675","0.0011","9.1432","0.0004","22.9483","0.0013","90","","90","","90","","4357.5","0.4","122","2","122","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0682","0.0396","","","0.0814","0.0923","","","","","","1.032","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154937","14.8991","0.0004","15.3359","0.0005","22.4136","0.0009","90","","90","","90","","5121.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Cl F6 N4 P Rh -","- C21 H29 Cl F6 N4 P Rh -","- C168 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0653","0.0477","","","0.118","0.1374","","","","","","1.051","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154983","9.8131","0.0003","20.4457","0.0005","21.4","0.0006","90","","90","","90","","4293.6","0.2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rocaglamide 22a","","- C25 H24 O7 S -","- C25 H24 O7 S -","- C200 H192 O56 S8 -","8","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54178","CuKα","","0.0404","0.0374","","","0.0999","0.103","","","","","","1.035","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7155023","14.498","0.005","13.886","0.004","18.696","0.004","90","","90","","90","","3763.9","1.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","potassium (Z)-2,4-dicyano-1,5-dimethoxy-3-(2-(methoxycarbonyl)benzoyl)-1,5-dioxopent-3-en-2-ide","","- C18 H13 K N2 O7 -","- C18 H13 K N2 O7 -","- C144 H104 K8 N16 O56 -","8","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1007","0.0552","","","0.1152","0.132","","","","","","1.039","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155038","16.652","0.002","6.8992","0.0009","18.61","0.003","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C80 H120 N24 O24 -","8","1","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0659","0.0391","","","0.0841","0.0911","","","","","","0.926","","","","has coordinates","182783","2020-10-21","18:00:00",""
"7155104","17.381","0.003","13.319","0.002","18.156","0.003","90","","90","","90","","4203.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 O5 P -","- C24 H25 O5 P -","- C192 H200 O40 P8 -","8","1","","Koppanathi, Nagaraju; Swamy, K. C. Kumara","Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.","Organic & biomolecular chemistry","2016","14","22","5079","5087","10.1039/c6ob00787b","","","0.71073","MoKα","","0.0777","0.0487","","","0.1147","0.1328","","","","","","0.954","","","","has coordinates","183748","2020-10-21","18:00:00",""
"7155114","9.0981","0.0018","20.673","0.004","24.866","0.005","90","","90","","90","","4676.9","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N3 -","- C30 H27 N3 -","- C240 H216 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0931","0.0513","","","0.1145","0.15","","","","","","1.02","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155193","19.3839","0.0006","7.788","0.0003","20.9133","0.0008","90","","90","","90","","3157.1","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-5-(naphthalen-1-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C19 H18 N2 O S -","- C19 H18 N2 O S -","- C152 H144 N16 O8 S8 -","8","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0713","0.0436","","","0.0865","0.0956","","","","","","1.065","","","","has coordinates","186485","2020-10-21","18:00:00",""
"7155247","9.8351","0.0006","19.0381","0.0012","20.4995","0.0013","90","","90","","90","","3838.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 1-((2R,3R)-4-methylene-5-oxo-3-phenyltetrahydrofuran-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rattan, Sunita; Rawal, Ravindra K.; Singh, Virender","Natural product inspired design and synthesis of β-carboline and γ-lactone based molecular hybrids.","Organic & biomolecular chemistry","2016","14","34","8154","8166","10.1039/c6ob01216g","","","0.71073","MoKα","","0.0844","0.0652","","","0.1571","0.1646","","","","","","1.095","","","","has coordinates","186484","2020-10-21","18:00:00",""
"7155266","6.7507","0.0004","14.1829","0.0007","43.847","0.003","90","","90","","90","","4198.1","0.4","292.8","0.2","292.8","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H21 I N2 O6 S -","- C18 H21 I N2 O6 S -","- C144 H168 I8 N16 O48 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.1043","0.0597","","","0.165","0.1827","","","","","","1.097","","","","has coordinates,has disorder","188282","2020-10-21","18:00:00",""
"7155281","6.4411","0.0005","16.0503","0.0012","30.612","0.003","90","","90","","90","","3164.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","1","","Asby, D. J.; Radigois, M. G.; Wilson, D. C.; Cuda, F.; Chai, C. L. L.; Chen, A.; Bienemann, A. S.; Light, M. E.; Harrowven, D. C.; Tavassoli, A.","Triggering apoptosis in cancer cells with an analogue of cribrostatin 6 that elevates intracellular ROS.","Organic & biomolecular chemistry","2016","14","39","9322","9330","10.1039/c6ob01591c","","x-ray","0.71073","MoKα","","0.1353","0.081","","","0.162","0.1865","","","","","","1.075","","","","has coordinates","188281","2020-10-21","18:00:00",""
"7155313","8.2579","0.0005","16.2062","0.001","21.6169","0.0013","90","","90","","90","","2893","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C144 H120 Cl8 N16 O8 -","8","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","1.54178","CuKα","","0.0679","0.0384","","","0.1133","0.1207","","","","","","1.05","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155336","10.22","0.08","27.88","0.1","9.39","0.11","90","","90","","90","","2676","4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9a","6-Benzoylmethyl-2-ethanoylamino-pyridine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","","Le, Song Thi; Fujimoto, Toshiki; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of 6-substituted 2-phenacylpyridines from 2-(phenylethynyl)pyridine via isoxazolo[2,3-a]pyridinium salt","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB01942K","","","0.71069","MoKα","","","0.0571","","","","0.193","","","","","","0.918","","","","has coordinates","187545","2020-10-21","18:00:00",""
"7155363","17.1553","0.0007","11.3125","0.0004","19.1705","0.0007","90","","90","","90","","3720.4","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(5-Cyano-1<i>H</i>-indol-1-yl)indolo[2,1-<i>a</i>]isoquinoline-10-carbonitrile","","- C26 H14 N4 -","- C26 H14 N4 -","- C208 H112 N32 -","8","1","","Ausekle, Elina; Ejaz, Syeda Abida; Khan, Shafi Ullah; Ehlers, Peter; Villinger, Alexander; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed; Langer, Peter","New one-pot synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation: potent inhibitors of nucleotide pyrophosphatase-1 and -3.","Organic & biomolecular chemistry","2016","14","48","11402","11414","10.1039/c6ob02236g","","","0.71073","MoKα","","0.0897","0.0497","","","0.1019","0.1223","","","","","","1.008","","","","has coordinates","190257","2020-10-21","18:00:00",""
"7155397","17.7469","0.0006","8.5054","0.0003","28.7562","0.001","90","","90","","90","","4340.6","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 N6 O6 -","- C19 H28 N6 O6 -","- C152 H224 N48 O48 -","8","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0652","0.053","","","0.1498","0.1607","","","","","","1.061","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155420","7.8745","0.0017","19.699","0.004","21.755","0.005","90","","90","","90","","3374.6","1.3","293","2","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","1","","Chauhan, Parul; Ravi, Makthala; Kant, Ruchir; Yadav, Prem P.","Oxidative coupling of 1-(2-methyl-4-phenylquinolin-3-yl)ethanone with ethanol and unexpected deacetylative synthesis of 3-hydroxy quinoline.","Organic & biomolecular chemistry","2017","15","5","1080","1085","10.1039/c6ob02336c","","","0.71075","MoKα","","0.0728","0.0469","","","0.107","0.1126","","","","","","0.879","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155421","22.805","0.006","8.174","0.002","24","0.006","90","","90","","90","","4474","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Inamdar, Suleman M.; Gonnade, Rajesh G.; Patil, Nitin T.","Synthesis of annulated bis-indoles through Au(i)/Brønsted acid-catalyzed reactions of (1H-indol-3-yl)(aryl)methanols with 2-(arylethynyl)-1H-indoles.","Organic & biomolecular chemistry","2017","15","4","863","869","10.1039/c6ob02595a","","","0.71073","MoKα","","0.0886","0.067","","","0.1263","0.1348","","","","","","1.143","","","","has coordinates","191729","2020-10-21","18:00:00",""
"7155427","9.344","0.003","22.993","0.007","16.649","0.005","90","","90","","90","","3577","1.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2,6-dimethylphenyl)-2-(N-(prop-2-yn-1-yl)acetamido)pentanamide","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C144 H192 N16 O16 -","8","1","","Icelo-Ávila, Estefanía; Amador-Sánchez, Yoarhy A; Polindara-García, Luis A; Miranda, Luis D.","Synthesis of 6-methyl-3,4-dihydropyrazinones using an Ugi 4-CR/allenamide cycloisomerization protocol.","Organic & biomolecular chemistry","2017","15","2","360","372","10.1039/c6ob02266a","","","0.71073","MoKα","","0.1588","0.0763","","","0.1767","0.2355","","","","","","1.001","","","","has coordinates","189874","2020-10-21","18:00:00",""
"7155469","16.0871","0.0008","12.5495","0.0006","18.6772","0.0009","90","","90","","90","","3770.6","0.3","294.44","0.1","294.44","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H8 O -","- C13 H8 O -","- C208 H128 O16 -","16","2","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1424","0.0677","","","0.1485","0.1972","","","","","","1.053","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155502","16.88","0.003","7.9527","0.0015","21.255","0.004","90","","90","","90","","2853.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Xu, Guangyang; Liu, Kai; Dai, Zhenya; Sun, Jiangtao","Gold/silver-catalyzed controllable regioselective vinylcarbene insertion into O-H bonds.","Organic & biomolecular chemistry","2017","15","11","2345","2348","10.1039/c7ob00338b","","","0.71073","MoKα","","0.0498","0.0336","","","0.0791","0.0897","","","","","","1.032","","","","has coordinates","195172","2020-10-21","18:00:00",""
"7155535","15.0497","0.0007","11.1392","0.0005","16.514","0.005","90","","90","","90","","2768.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Methyl-2-nitro-7,8-dihydro-5H-benzo[i]pyrido[3,2-b][1,4,7]oxadiazecin-9(6H)-one","","- C15 H14 N4 O4 -","- C15 H13 N4 O4 -","- C120 H104 N32 O32 -","8","1","","Sapegin, Alexander; Osipyan, Angelina; Krasavin, Mikhail","Structurally diverse arene-fused ten-membered lactams accessed via hydrolytic imidazoline ring expansion.","Organic & biomolecular chemistry","2017","15","14","2906","2909","10.1039/c7ob00535k","","","0.71073","MoKα","","0.0532","0.0415","","","0.0967","0.1032","","","","","","1.062","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7155606","14.2849","0.0004","11.9116","0.0004","19.8778","0.0006","90","","90","","90","","3382.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 N3 O -","- C22 H13 N3 O -","- C176 H104 N24 O8 -","8","1","","Kota, Shiva Kumar; Meesa, Siddi Ramulu; Rajesham, Bandari; Kumar, Naikawadi Praveen; voora, vani; Kancha, Rama Krishna","FeCl3 catalysed 7-membered ring formation in a single pot: a new route to indole-fused oxepines/azepines and their cytotoxic activity","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00715A","","","0.71073","MoKα","","0.069","0.0418","","","0.0972","0.1086","","","","","","0.921","","","","has coordinates","196224","2020-10-21","18:00:00",""
"7155656","12.777","0.0017","16.254","0.002","17.725","0.002","90","","90","","90","","3681.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C160 H160 N16 O40 -","8","1","","Liu, Jie-Jie; Cheng, Liang; Huang, Hong-Yan; Wei, Feng; Wang, Dong; Liu, Li","Unprecedented formation of 3-(tetrahydrofuran-2-yl)-4H-chromen-4-one in the reaction between 3,3a-dihydro-9H-furo[3,4-b]chromen-9-one with malononitrile","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00904F","","","0.71073","MoKα","","0.0675","0.0594","","","0.1268","0.1323","","","","","","1.138","","","","has coordinates","196996","2020-10-21","18:00:00",""
"7155756","15.4292","0.0014","15.571","0.0014","17.8509","0.0015","90","","90","","90","","4288.6","0.7","150","","150","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 N2 Si -","- C20 H36 N2 Si -","- C160 H288 N16 Si8 -","8","1","","Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann","One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.","Organic & biomolecular chemistry","2017","","","","","10.1039/c6ob02590k","","x-ray","0.71073","MoKα","","0.1021","0.0661","","","0.1644","0.1955","","","","","","1.027","","","","has coordinates","198578","2020-10-21","18:00:00",""
"7155760","17.6741","0.0018","16.8387","0.0017","18.4813","0.0019","90","","90","","90","","5500.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 F6 Ir O9 P4 -","- C17 H39 F6 Ir O9 P4 -","- C136 H312 F48 Ir8 O72 P32 -","8","1","","Moskovets, Alexey P.; Usanov, Dmitry; Afanasyev, Oleg I.; Fastovskiy, Vasilii A.; Molotkov, Alexander P.; Muratov, Karim M.; Denisov, Gleb L.; Zlotskii , Semen S.; Smol’yakov, Alexander F.; Loginov, Dmitry A.; Chusov, Denis","Reductive Amination Catalyzed by Iridium Complexes Using Carbon Monoxide as a Reducing Agent","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01005B","","","0.71073","MoKα","","0.0274","0.0227","","","0.0518","0.0545","","","","","","1.014","","","","has coordinates","198665","2020-10-21","18:00:00",""
"7155782","19.703","0.002","8.2643","0.0005","23.1696","0.0019","90","","90","","90","","3772.7","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","1","","Saunthwal, Rakesh K.; Danodia, abhinandan K.; Saini, Kapil Mohan; Verma, Akhilesh K.","Ag(I)-Catalyzed Cycloisomerization Reactions: Synthesis of Substituted Phenanthrenes and Naphthothiophenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01646H","","","0.71073","MoKα","","0.1223","0.0969","","","0.2312","0.2465","","","","","","1.096","","","","has coordinates","199035","2020-10-21","18:00:00",""
"7155850","9.8885","0.0004","11.7756","0.0004","24.4823","0.001","90","","90","","90","","2850.79","0.19","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br3 N O -","- C12 H12 Br3 N O -","- C96 H96 Br24 N8 O8 -","8","1","","Chen, Fengjuan; Wang, Yajun; Zhao, Shijun; Jiang, Wei; Huo, Cong-De","Tandem radical cyclization to construct poly-brominated 2-oxindoles","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01859B","","x-ray","0.71073","MoKα","","0.0812","0.0429","","","0.0708","0.0839","","","","","","1.043","","","","has coordinates","200001","2020-10-21","18:00:00",""
"7155859","18.1842","0.0002","8.9542","0.0001","20.2236","0.0002","90","","90","","90","","3292.91","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2S*,4R*)-2-methyl-4-(p-tolyl)-1,4-dihydro-2H-benzo-[f]isochromene (cis-(±)-2eD)","","- C21 H20 O -","- C21 H20 O -","- C168 H160 O8 -","8","1","","Hinkle, Robert J.; Chen, Yuzhou; Nofi, Colleen P.; Lewis, Shane E.","Electronic effects on a one-pot aromatization cascade involving alkynyl-Prins cyclization, Friedel‒Crafts alkylation and dehydration to tricyclic benzo[f]isochromenes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01412K","","","1.54178","CuKα","","0.0488","0.0406","","","0.1157","0.1246","","","","","","1.026","","","","has coordinates","200117","2020-10-21","18:00:00",""
"7155914","19.078","0.002","17.996","0.002","20.823","0.003","90","","90","","90","","7149.1","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H40 N4 O4 -","- C43 H40 N4 O4 -","- C344 H320 N32 O32 -","8","1","","Qian, Yu-lun; Xia, Peng-Ju; Li, Jun; Zhao, Qinglan; Xiao, Jun-An; Xiang, Haoyue; Yang, Hua","Diversity-driven and facile 1,3-dipolar cycloaddition to access dispirooxindole-imidazolidine scaffolds","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02319G","","","0.71073","MoKα","","0.1258","0.0531","","","0.1222","0.1495","","","","","","1.007","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155999","14.3715","0.0005","14.9202","0.0005","19.0907","0.0006","90","","90","","90","","4093.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","6,7-dihydro-4-nitro-6-[(1-phenyl-2-methyl)propyl]-dibenzo[d,f][1,2]thiazepine 5,5-dioxide","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C184 H176 N16 O32 S8 -","8","1","","Balgobin, Sinead M. C.; Brookes, Dominic J.; Jiang, Junxiang; Pritchard, Robin G.; Wallace, Timothy W.","Axial stereocontrol in tropos dibenz[c,e]azepines: the individual and cooperative effects of alkyl substituents","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02385E","","x-ray","0.71073","MoKα","","0.0962","0.0527","","","0.099","0.1252","","","","","","1.092","","","","has coordinates","203678","2020-10-21","18:00:00",""
"7156012","19.6052","0.0007","6.8504","0.0002","24.8223","0.0009","90","","90","","90","","3333.7","0.2","223","","223","1","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(2Z)-7-phenyl-2-(phenylmethylidine)-1,4,6-triozaspiro[4.5]decane","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Lombard, Fanny J.; Lepage, Romain J.; Schwartz, Brett D.; Johnston, Ryne C.; Healy, Peter C.; Krenske, Elizabeth H.; Coster, Mark J.","Synthesis of spirocyclic orthoesters by 'anomalous' rhodium(ii)-catalysed intramolecular C-H insertions.","Organic & biomolecular chemistry","2018","16","2","256","261","10.1039/c7ob02123b","","","0.7107","MoKα","","0.1049","0.0657","","","0.1044","0.1168","","","","","","1.117","","","","has coordinates","230712","2020-10-21","18:00:00",""
"7156025","11.0397","0.0005","10.6042","0.0003","19.2081","0.0009","90","","90","","90","","2248.64","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-fluorophenyl)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","1","","Maslivetc, Vladimir; Barrett, Colby; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Intramolecular nucleophilic addition of carbanions generated from N-benzylamides to cyclopropenes.","Organic & biomolecular chemistry","2018","16","2","285","294","10.1039/c7ob02068f","","x-ray","1.54184","CuKα","","0.0736","0.0652","","","0.1715","0.1812","","","","","","1.054","","","","has coordinates","230717","2020-10-21","18:00:00",""
"7156057","14.565","0.003","11.48","0.002","24.047","0.005","90","","90","","90","","4020.8","1.4","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 I N O -","- C24 H20 I N O -","- C192 H160 I8 N8 O8 -","8","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0392","0.0364","","","0.0754","0.0766","","","","","","1.193","","","","has coordinates,has disorder","230718","2020-10-21","18:00:00",""
"7156064","8.858","0.003","11.306","0.005","27.121","0.011","90","","90","","90","","2716.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0391","0.036","","","0.1193","0.123","","","","","","1.068","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156065","8.8054","0.0008","11.6093","0.0011","26.7629","0.0015","90","","90","","90","","2735.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methylphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O -","- C16 H13 Cl O -","- C128 H104 Cl8 O8 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0436","0.0408","","","0.1088","0.1132","","","","","","1.057","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156074","15.5438","0.0003","7.15478","0.00011","23.2224","0.0004","90","","90","","90","","2582.62","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-1-(p-Totyl)-3-trifluoromethyl-3a,4,5,6a-tetrahydro-1H-furo[2,3-c]pyrazole","","- C13 H13 F3 N2 O -","- C13 H13 F3 N2 O -","- C104 H104 F24 N16 O8 -","8","1","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0454","0.039","","","0.101","0.1049","","","","","","1.076","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156082","11.243","0.002","30.552","0.007","7.3019","0.0016","90","","90","","90","","2508.2","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 4-(1-hydroxy-4-(trifluoromethyl)-1H-pyrrol-2-yl)benzoate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C104 H80 F24 N8 O24 -","8","1","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.1248","0.0565","","","0.1321","0.1726","","","","","","1.018","","","","has coordinates","230642","2020-10-21","18:00:00",""
"7156114","14.1466","0.0018","12.4232","0.0017","18.979","0.002","90","","90","","90","","3335.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O4 S -","- C21 H14 O4 S -","- C168 H112 O32 S8 -","8","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0791","0.0445","","","0.0958","0.1137","","","","","","1.047","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156119","20.9082","0.0003","23.7424","0.0004","23.9838","0.0004","90","","90","","90","","11905.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N6 O12 -","- C63 H68 N6 O12 -","- C504 H544 N48 O96 -","8","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.1236","0.1012","","","0.3309","0.3593","","","","","","1.436","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156135","16.772","0.003","9.0637","0.0015","25.832","0.004","90","","90","","90","","3926.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C168 H232 N24 O24 -","8","1","","Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun","A reversible and highly selective two-photon fluorescent ""on-off-on"" probe for biological Cu<sup>2+</sup> detection.","Organic & biomolecular chemistry","2018","16","13","2264","2268","10.1039/c8ob00257f","","","0.71073","MoKα","","0.0473","0.0365","","","0.0965","0.1026","","","","","","1.012","","","","has coordinates","230786","2020-10-21","18:00:00",""
"7156148","31.267","0.008","8.132","0.003","22.702","0.006","90","","90","","90","","5772","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C272 H224 N32 O16 S16 -","16","2","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.2036","0.0799","","","0.1818","0.2381","","","","","","1.036","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156190","13.248","0.008","11.319","0.007","21.558","0.012","90","","90","","90","","3233","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0916","0.0631","","","0.1493","0.1671","","","","","","0.989","","","","has coordinates","230826","2020-10-21","18:00:00",""
"7156198","10.414","0.0003","15.8099","0.0004","21.1096","0.0005","90","","90","","90","","3475.58","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0552","0.041","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156199","10.3634","0.0002","12.0468","0.0003","21.0449","0.0004","90","","90","","90","","2627.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C112 H96 N16 O8 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.077","0.0798","","","","","","1.019","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156201","9.13571","0.00013","13.38135","0.00018","30.0335","0.0004","90","","90","","90","","3671.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S2 -","- C19 H21 N O3 S2 -","- C152 H168 N8 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0323","0.0296","","","0.0798","0.0815","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156226","8.7429","0.0004","13.5554","0.0006","21.9361","0.0009","90","","90","","90","","2599.7","0.2","150","2","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C112 H112 F24 N8 O16 -","8","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","1.54178","CuKα","","0.0411","0.0394","","","0.1011","0.1026","","","","","","1.094","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156228","9.2421","0.0005","17.3468","0.0011","28.1793","0.0014","90","","90","","90","","4517.7","0.4","295","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C224 H176 N32 O16 -","8","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.2187","0.0624","","","0.1014","0.152","","","","","","0.932","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156255","8.7048","0.0008","19.6596","0.0019","22.0693","0.0019","90","","90","","90","","3776.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C176 H160 Br8 N8 O24 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1146","0.0516","","","0.113","0.1455","","","","","","1.06","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156263","10.2591","0.0006","9.6617","0.0005","30.5377","0.0016","90","","90","","90","","3026.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Febrifugine","Febrifugine","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C128 H152 N24 O24 -","8","1","","Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.","A convergent strategy towards febrifugine and related compounds.","Organic & biomolecular chemistry","2018","16","22","4159","4169","10.1039/c8ob00935j","","","1.54178","CuKα","","0.1345","0.0784","","","0.0831","0.0889","","","","","","1.517","","","","has coordinates","230598","2020-10-21","18:00:00",""
"7156277","17.9063","0.0005","21.5998","0.0006","33.6902","0.0009","90","","90","","90","","13030.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 6a","[nBu4N][(N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-2-methyl?propan?imid-amidato-kappaN)(phenyl)borate]","","- C32 H52 B N3 O2 -","- C32 H52 B N3 O2 -","- C512 H832 B16 N48 O32 -","16","2","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.1221","0.074","","","0.2023","0.2436","","","","","","1.028","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156282","19.497","0.005","8.597","0.002","19.553","0.004","90","","90","","90","","3277.4","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","","Kumar, Avnish; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Unprecedented synthesis of 1,2,3-triazolo-cinnolinone via Sonogashira coupling and intramolecular cyclization.","Organic & biomolecular chemistry","2018","16","26","4840","4848","10.1039/c8ob01152d","","","0.71073","MoKα","","0.053","0.044","","","0.1133","0.1199","","","","","","1.047","","","","has coordinates","230700","2020-10-21","18:00:00",""
"7156286","10.1449","0.0002","11.6133","0.0003","40.0056","0.0009","90","","90","","90","","4713.29","0.19","302","2","301.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 1-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-4-phenylisoquinoline-3-carboxylate","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming","Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides.","Organic & biomolecular chemistry","2018","16","27","4996","5005","10.1039/c8ob01229f","","","1.54178","CuKα","","0.0668","0.051","","","0.1284","0.1408","","","","","","1.021","","","","has coordinates","230618","2020-10-21","18:00:00",""
"7156289","10.287","0.002","11.291","0.002","20.866","0.004","90","","90","","90","","2423.6","0.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hsu, Day-Shin; Liou, Chang-Yan","Total synthesis and structural revision of (±)-nidemone.","Organic & biomolecular chemistry","2018","16","27","4990","4995","10.1039/c8ob01207e","","","0.71073","MoKα","","0.0506","0.0406","","","0.1168","0.1315","","","","","","1.09","","","","has coordinates","230622","2020-10-21","18:00:00",""
"7156297","15.5285","0.0011","12.2909","0.0009","18.3647","0.0013","90","","90","","90","","3505.1","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 S -","- C19 H18 Cl N O3 S -","- C152 H144 Cl8 N8 O24 S8 -","8","1","","Maheshwar Rao, B.; Yadav, J. S.; Sridhar, B.; Subba Reddy, B. V.","Silver(i)-catalyzed sequential hydroamination and Prins type cyclization for the synthesis of fused benzo-δ-sultams.","Organic & biomolecular chemistry","2018","16","28","5163","5166","10.1039/c8ob00918j","","","0.71073","MoKα","","0.0649","0.0575","","","0.1637","0.1716","","","","","","1.062","","","","has coordinates","230580","2020-10-21","18:00:00",""
"7156356","9.1202","0.001","8.3186","0.001","33.169","0.007","90","","90","","90","","2516.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H6 F7 N2 -","- C11 H6 F7 N2 -","- C88 H48 F56 N16 -","8","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.1468","0.1311","","","0.3738","0.4","","","","","","1.523","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156384","14.3887","0.0013","9.1859","0.0008","24.515","0.002","90","","90","","90","","3240.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0553","0.0364","","","0.0903","0.1059","","","","","","1.044","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156387","14.4456","0.0003","9.07642","0.00017","22.7259","0.0005","90","","90","","90","","2979.69","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.1068","0.093","","","0.2366","0.2464","","","","","","1.165","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156493","9.8081","0.0002","15.076","0.0003","26.6668","0.0005","90","","90","","90","","3943.14","0.13","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H16 F3 N5 -","- C23 H16 F3 N5 -","- C184 H128 F24 N40 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0899","0.0641","","","0.1573","0.173","","","","","","1.057","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156495","10.0604","0.0002","14.9961","0.0003","25.8051","0.0006","90","","90","","90","","3893.13","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl2 N6 -","- C21 H16 Cl2 N6 -","- C168 H128 Cl16 N48 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0362","0.0307","","","0.0757","0.079","","","","","","1.026","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156504","7.2701","0.0008","12.9061","0.0011","18.374","0.002","90","","90","","90","","1724","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C56 H120 N24 O8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0826","0.056","","","0.1296","0.1489","","","","","","1.11","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156505","17.298","0.002","5.9353","0.0008","33.483","0.004","90","","90","","90","","3437.7","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F3 N2 O3 -","- C18 H15 F3 N2 O3 -","- C144 H120 F24 N16 O24 -","8","1","","Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian","Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.","Organic & biomolecular chemistry","2018","16","43","8011","8014","10.1039/c8ob02321b","","","0.71073","MoKα","","0.0691","0.0529","","","0.1351","0.1451","","","","","","1.038","","","","has coordinates,has disorder","230662","2020-10-21","18:00:00",""
"7156515","9.1358","0.0003","18.8753","0.0007","20.9542","0.0007","90","","90","","90","","3613.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Zhou, Bang; Chen, Wenqi; Yang, Yuzhong; Yang, Yuan; Deng, Guobo; Liang, Yun","A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates.","Organic & biomolecular chemistry","2018","16","42","7959","7963","10.1039/c8ob02288g","","","0.71073","MoKα","","0.0702","0.061","","","0.1238","0.1284","","","","","","1.211","","","","has coordinates","230680","2020-10-21","18:00:00",""
"7156550","10.932","0.003","15.037","0.004","28.078","0.007","90","","90","","90","","4616","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C200 H200 N8 O48 -","8","1","","Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen","Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.","Organic & biomolecular chemistry","2018","16","45","8854","8858","10.1039/c8ob02259c","","","0.71073","MoKα","","0.0906","0.0556","","","0.155","0.1794","","","","","","1.068","","","","has coordinates","230857","2020-10-21","18:00:00",""
"7156575","14.778","0.003","5.9149","0.0009","29.159","0.005","90","","90","","90","","2548.8","0.8","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F O3 -","- C17 H11 F O3 -","- C136 H88 F8 O24 -","8","1","","Guo, Jia; Peng, Xiaoshi; Wang, Xiaoyu; Xie, Fukai; Zhang, Xinhang; Liang, Guoduan; Sun, Zenghui; Liu, Yongxiang; Cheng, Maosheng; Liu, Yang","A gold-catalyzed cycloisomerization/aerobic oxidation cascade strategy for 2-aryl indenones from 1,5-enynes.","Organic & biomolecular chemistry","2018","16","47","9147","9151","10.1039/c8ob02582g","","","0.71073","MoKα","","0.2018","0.0801","","","0.1415","0.2043","","","","","","1.087","","","","has coordinates","230760","2020-10-21","18:00:00",""
"7156596","16.7527","0.0011","9.2802","0.0006","19.428","0.0011","90","","90","","90","","3020.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.53 H2.27 N0.13 O0.13 -","- C2.53333 H2.26667 N0.133333 O0.133333 -","- C152 H136 N8 O8 -","60","7.5","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71073","MoKα","","0.0748","0.0534","","","0.1286","0.1428","","","","","","1.007","","","","has coordinates","225082","2020-10-21","18:00:00",""
"7156598","10.5281","0.001","7.794","0.0009","25.907","0.002","90","","90","","90","","2125.8","0.4","294.63","0.1","294.63","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br I N -","- C10 H7 Br I N -","- C80 H56 Br8 I8 N8 -","8","1","","Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen","Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives.","Organic & biomolecular chemistry","2018","17","1","156","164","10.1039/c8ob02640h","","x-ray","0.71073","MoKα","","0.1534","0.1155","","","0.2883","0.3252","","","","","","1.043","","","","has coordinates","225079","2020-10-21","18:00:00",""
"7156615","15.237","0.003","11.212","0.002","17.948","0.003","90","","90","","90","","3066.2","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 F N O3 S -","- C17 H12 F N O3 S -","- C136 H96 F8 N8 O24 S8 -","8","1","","McCaw, Patrick G.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of 1,2,5-oxathiazole-S-oxides by 1,3-dipolar cycloadditions of nitrile oxides to α-oxo sulfines.","Organic & biomolecular chemistry","2019","17","3","622","638","10.1039/c8ob02691b","","","1.54178","CuKα","","0.0449","0.0448","","","0.1302","0.1303","","","","","","1.097","","","","has coordinates","225308","2020-10-21","18:00:00",""
"7156626","10.1298","0.0003","18.7025","0.0005","19.0521","0.0005","90","","90","","90","","3609.47","0.17","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Xu, Zhong-Qi; Zheng, Lin-Chuang; Li, Lin; Duan, Lili; Li, Yue-Ming","Metal-free oxysulfonylation and aminosulfonylation of alkenyl oximes: synthesis of sulfonylated isoxazolines and cyclic nitrones.","Organic & biomolecular chemistry","2019","17","4","898","907","10.1039/c8ob02879f","","x-ray","0.71073","MoKα","","0.0483","0.04","","","0.0977","0.1037","","","","","","1.039","","","","has coordinates","225126","2020-10-21","18:00:00",""
"7156628","6.9632","0.0009","20.434","0.003","28.769","0.003","90","","90","","90","","4093.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C216 H144 N16 O16 -","8","1","","Yang, Yajie; Huang, Jiaqi; Tan, Hailu; Kong, Lingkai; Wang, Mengdan; Yuan, Yang; Li, Yanzhong","Synthesis of cyano-substituted carbazoles via successive C-C/C-H cleavage.","Organic & biomolecular chemistry","2019","17","4","958","965","10.1039/c8ob03031f","","","0.71073","MoKα","","0.0605","0.0431","","","0.113","0.1283","","","","","","1.041","","","","has coordinates","225131","2020-10-21","18:00:00",""
"7156640","10.1785","0.0003","11.8901","0.0004","25.9949","0.0008","90","","90","","90","","3145.99","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br N O6 -","- C14 H14 Br N O6 -","- C112 H112 Br8 N8 O48 -","8","1","","Chen, Huiqing; Xie, Jia; Xing, Dong; Wang, Jinping; Tang, Jie; Yi, Zhengfang; Xia, Fei; Qiu, Wen-Wei; Yang, Fan","Diastereoselective synthesis of 3,3-disubstituted 3-nitro-4-chromanone derivatives as potential antitumor agents.","Organic & biomolecular chemistry","2019","17","5","1062","1066","10.1039/c8ob02761g","","","0.71073","MoKα","","0.0636","0.0501","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates,has disorder","225103","2020-10-21","18:00:00",""
"7156667","14.8813","0.0008","8.3305","0.0005","18.5422","0.0012","90","","90","","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H0.12 N4 S -","- C12 H10 N4 S -","- C96 H80 N32 S8 -","8","1","","Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan","A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.","Organic & biomolecular chemistry","2019","17","9","2336","2340","10.1039/c8ob03220c","","","0.71073","MoKα","","0.0932","0.0615","","","0.1565","0.1756","","","","","","1.053","","","","has coordinates","225218","2020-10-21","18:00:00",""
"7156798","16.5068","0.0007","12.2903","0.0006","29.5223","0.001","90","","90","","90","","5989.3","0.4","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 N3 O7 S -","- C33 H25 N3 O7 S -","- C264 H200 N24 O56 S8 -","8","1","","Yi, Xiaofei; Chen, Kai; Chen, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Synthesis of cyclic gem-dinitro compounds via radical nitration of 1,6-diynes with Fe(NO<sub>3</sub>)<sub>3</sub>·9H<sub>2</sub>O.","Organic & biomolecular chemistry","2019","17","19","4725","4728","10.1039/c9ob00431a","","","0.71073","MoKα","","0.0542","0.0382","","","0.0874","0.0973","","","","","","1.041","","","","has coordinates","225157","2020-10-21","18:00:00",""
"7156807","14.761","0.003","9.9736","0.0008","15.8257","0.0019","90","","90","","90","","2329.9","0.6","292.86","0.1","292.86","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Zhan, Zhenzhen; Ma, Haojie; Cui, Xinfeng; Jiang, Pengbo; Pu, Jinghong; Zhang, Yixin; Huang, Guosheng","Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine.","Organic & biomolecular chemistry","2019","17","20","5148","5152","10.1039/c9ob00531e","","","0.71073","MoKα","","0.1334","0.068","","","0.1372","0.1848","","","","","","1.063","","","","has coordinates","225180","2020-10-21","18:00:00",""
"7156813","15.5752","0.0005","15.9896","0.0008","43.3052","0.0015","90","","90","","90","","10784.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H79 B2 Li O4 -","- C61 H79 B2 Li O4 -","- C488 H632 B16 Li8 O32 -","8","1","","Kirschner, Sven; Bao, Song-Song; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Aryl-aryl coupling in a polycyclic aromatic hydrocarbon with embedded tetracoordinate boron centre.","Organic & biomolecular chemistry","2019","17","20","5060","5065","10.1039/c9ob00618d","","","0.71073","MoKα","","0.1445","0.0788","","","0.1614","0.1864","","","","","","1.049","","","","has coordinates,has disorder","225187","2020-10-21","18:00:00",""
"7156851","8.0352","0.0017","12.627","0.003","33.738","0.01","90","","90","","90","","3423.1","1.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 -","- C23 H19 N3 -","- C184 H152 N24 -","8","1","","Wu, Yufeng; Tian, Bing; Hu, Chao; Sekine, Kohei; Rudolph, Matthias; Rominger, Frank; Hashmi, A Stephen K","Chemodivergent reaction of azomethine imines and 2H-azirines for the synthesis of nitrogen-containing scaffolds.","Organic & biomolecular chemistry","2019","17","22","5505","5508","10.1039/c9ob00740g","","","1.54178","CuKα","","0.0368","0.0321","","","0.0801","0.0828","","","","","","1.059","","","","has coordinates","225057","2020-10-21","18:00:00",""
"7156856","10.6779","0.0002","10.889","0.0002","36.8908","0.0007","90","","90","","90","","4289.35","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H24 B N -","- C30 H24 B N -","- C240 H192 B8 N8 -","8","1","","Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro","Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.","Organic & biomolecular chemistry","2019","17","22","5500","5504","10.1039/c9ob00934e","","","0.71073","MoKa","","0.0453","0.0416","","","0.1091","0.1119","","","","","","1.026","","","","has coordinates","225058","2020-10-21","18:00:00",""
"7156876","6.495","0.003","17.713","0.008","21.586","0.01","90","","90","","90","","2483","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methyl-3-(4-nitrophenyl)-5,6a-dihydroisothiazolo[5,4-d]isoxazol-6(3aH)-one 4,4-dioxide","","- C11 H9 N3 O6 S -","- C11 H9 N3 O6 S -","- C88 H72 N24 O48 S8 -","8","1","","Lin, Yifan; Zhang, Ke; Gao, Mingchun; Jiang, Zheyi; Liu, Jiajie; Ma, Yurui; Wang, Haoyu; Tan, Qitao; Xiao, Junjie; Xu, Bin","Copper nitrate-mediated synthesis of 3-aryl isoxazolines and isoxazoles from olefinic azlactones.","Organic & biomolecular chemistry","2019","17","22","5509","5513","10.1039/c9ob00857h","","","0.71073","MoKα","","0.0504","0.0374","","","0.1022","0.111","","","","","","1.031","","","","has coordinates","225059","2020-10-21","18:00:00",""
"7156893","13.5273","0.0005","7.7581","0.0004","24.7812","0.0015","90","","90","","90","","2600.7","0.2","293","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","NKS_RCS_ALA","","- C12 H14 B F2 N O3 -","- C12 H14 B F2 N O3 -","- C96 H112 B8 F16 N8 O24 -","8","1","","Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.","BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.","Organic & biomolecular chemistry","2019","17","26","6497","6505","10.1039/c9ob00915a","","x-ray","1.54184","CuKα","","0.1296","0.0922","","","0.2806","0.3336","","","","","","1.126","","","","has coordinates","225120","2020-10-21","18:00:00",""
"7156943","11.499","0.0008","8.466","0.0006","31.3","0.002","90","","90","","90","","3047.1","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O2 S2 -","- C15 H14 N2 O2 S2 -","- C120 H112 N16 O16 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.0381","0.0338","","","0.0893","0.0919","","","","","","1.084","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156946","7.507","0.004","16.207","0.01","29.663","0.019","90","","90","","90","","3609","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Cu(i) catalysed annulation of isothiocyanates/isocyanates with 2-iodo-sulfonamides: synthesis of benzodithiazines, benzothiadiazinones, benzothiazinylidene-anilines and benzothiazolylidene-anilines.","Organic & biomolecular chemistry","2019","17","28","6880","6894","10.1039/c9ob00994a","","","0.71073","MoKα","","0.1239","0.0722","","","0.1853","0.227","","","","","","1.051","","","","has coordinates","225026","2020-10-21","18:00:00",""
"7156979","8.8852","0.0001","10.6649","0.0001","31.4503","0.0002","90","","90","","90","","2980.22","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-((Diphenylphosphoryl)methyl)dihydrofuran-2(3H)-one","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0654","0.0546","","","0.1295","0.1438","","","","","","1.145","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7157050","17.594","0.002","10.7941","0.0013","25.355","0.003","90","","90","","90","","4815.2","1","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Br N5 O3 -","- C26 H24 Br N5 O3 -","- C208 H192 Br8 N40 O24 -","8","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0565","0.0366","","","0.0747","0.0821","","","","","","1.018","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157082","11.2543","0.0004","11.6498","0.0003","23.6897","0.0007","90","","90","","90","","3105.96","0.16","295.01","0.13","295.01","0.13","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","0.71073","MoKα","","0.0828","0.0522","","","0.1143","0.1336","","","","","","1.059","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157114","9.93","0.003","9.524","0.003","24.977","0.008","90","","90","","90","","2362.2","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C96 H88 Br8 N16 O16 -","8","1","","Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua","Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.","Organic & biomolecular chemistry","2019","17","40","8977","8981","10.1039/c9ob01895f","","","0.71073","MoKα","","0.0829","0.0451","","","0.0978","0.1142","","","","","","1.058","","","","has coordinates","225191","2020-10-21","18:00:00",""
"7157122","11.2395","0.0013","9.4816","0.0009","32.652","0.003","90","","90","","90","","3479.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F3 N O S -","- C19 H16 F3 N O S -","- C152 H128 F24 N8 O8 S8 -","8","1","","Ansari, Monish Arbaz; Yadav, Dhananjay; Soni, Sonam; Singh, Maya Shankar","Phosphonium ylide catalysis: a divergent diastereoselective approach to synthesize cyclic ketene acetals [thia(zolidines/zinanes)] from β-ketothioamides and dihaloalkanes.","Organic & biomolecular chemistry","2019","17","41","9151","9162","10.1039/c9ob01948k","","","0.71073","MoKα","","0.0627","0.056","","","0.1417","0.1486","","","","","","0.991","","","","has coordinates","225071","2020-10-21","18:00:00",""
"7157129","12.4583","0.0014","14.7599","0.0014","20.49","0.002","90","","90","","90","","3767.8","0.7","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C22 H21 B F Fe P -","- C22 H21 B F Fe P -","- C176 H168 B8 F8 Fe8 P8 -","8","1","","Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.","From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.","Organic & biomolecular chemistry","2019","17","42","9352","9359","10.1039/c9ob01885a","","x-ray","0.71073","MoKα","","0.0545","0.0409","","","0.1055","0.1138","","","","","","1.053","","","","has coordinates","225107","2020-10-21","18:00:00",""
"7157175","11.3784","0.001","8.5648","0.0007","37.271","0.003","90","","90","","90","","3632.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Br N2 O2 -","- C21 H17 Br N2 O2 -","- C168 H136 Br8 N16 O16 -","8","1","","Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng","Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB01868A","","","0.71073","MoKα","","0.085","0.0474","","","0.1059","0.1228","","","","","","1.029","","","","has coordinates","220582","2020-10-21","18:00:00",""
"7157186","11.65","0.005","18.43","0.005","15.238","0.005","90","0.005","90","0.005","90","0.005","3272","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pyrazole","'4-(diethylamino)-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)pent-3-en-2-on","","- C14 H17 F6 N3 O -","- C14 H17 F6 N3 O -","- C112 H136 F48 N24 O8 -","8","1","","Moraes, Paulo A.; Lobo, Marcio M.; Marangoni, Mário A; Meyer, Alexandre R.; Frizzo, Clarissa P.; Bonacorso, Helio G.; Martins, Marcos A. P.; Zanatta, Nilo","Chemo- and regioselective reactions of 5-bromo enones/enaminones with pyrazoles.","Organic & biomolecular chemistry","2019","17","9","2384","2392","10.1039/c9ob00234k","","","0.71073","MoKα","","0.1432","0.1065","","","0.2811","0.3125","","","","","","1.049","","","","has coordinates","223423","2020-10-21","18:00:00",""
"7157273","19.232","0.0003","11.92476","0.00017","23.5435","0.0004","90","","90","","90","","5399.4","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H38 N6 O2 -","- C27 H38 N6 O2 -","- C216 H304 N48 O16 -","8","1","","Cao, Ming; Teng, Qing-Hu; Xi, Zhi-Wei; Liu, Li-Qiu; Gu, Ren-Yong; Wang, Ying-Chun","Facile synthesis of 2-alkynyl oxazoles via a Ce(OTf)<sub>3</sub>-catalyzed cascade reaction of alkynyl carboxylic acids with tert-butyl isocyanide.","Organic & biomolecular chemistry","2020","18","4","655","659","10.1039/c9ob02337b","","x-ray","1.54184","CuKα","","0.054","0.0435","","","0.1067","0.1146","","","","","","1.037","","","","has coordinates","247811","2020-10-21","18:00:00",""
"7157277","13.9043","0.0005","10.8551","0.0004","20.2244","0.0007","90","","90","","90","","3052.52","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C152 H104 N8 O40 -","8","1","","Lei, Chuan-Wen; Zhang, Chuan-Bao; Wang, Zhen-Hua; Xie, Ke-Xin; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Coumarin-3-formylpyrazoles as 3-carbon synthons in cyclocondensation for the synthesis of spiro-fused pentacyclic spirooxindoles.","Organic & biomolecular chemistry","2020","18","5","845","850","10.1039/c9ob02434d","","x-ray","1.54184","CuKα","","0.0543","0.0446","","","0.1149","0.1253","","","","","","1.028","","","","has coordinates","249031","2020-10-21","18:00:00",""
"7157359","9.0158","0.0002","10.7244","0.0003","32.8321","0.0009","90","","90","","90","","3174.5","0.14","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Su, Yingpeng; Zhang, Rong; Xue, Wenxuan; Liu, Xuan; Zhao, Yanan; Wang, Ke-Hu; Huang, Danfeng; Huo, Congde; Hu, Yulai","Visible-light-promoted acyl radical cascade reaction for accessing acylated isoquinoline-1,3(2H,4H)-dione derivatives.","Organic & biomolecular chemistry","2020","18","10","1940","1948","10.1039/d0ob00086h","","","0.71073","MoKα","","0.0667","0.0572","","","0.1723","0.181","","","","","","1.082","","","","has coordinates","250359","2020-10-21","18:00:00",""
"7157385","9.3459","0.0008","19.5855","0.0017","25.163","0.002","90","","90","","90","","4605.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O5 Se -","- C26 H28 O5 Se -","- C208 H224 O40 Se8 -","8","1","","Liao, Ming-Hong; Zhang, Meng; Hu, Dai-Hui; Zhang, Rui-Han; Zhao, Yan; Liu, Shan-Shan; Li, Yun-Xia; Xiao, Wei-Lie; Tang, E.","Controlling the selectivity of an intramolecular Friedel-Crafts alkylation with alkenes using selenium under mild conditions.","Organic & biomolecular chemistry","2020","18","21","4034","4045","10.1039/d0ob00257g","","","0.71073","MoKα","","0.0596","0.0349","","","0.0857","0.0971","","","","","","1.023","","","","has coordinates","252932","2020-10-21","18:00:00",""
"7157386","10.5462","0.0006","11.8138","0.0006","24.1532","0.0013","90","","90","","90","","3009.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N3 S2 -","- C15 H17 N3 S2 -","- C120 H136 N24 S16 -","8","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0517","0.0467","","","0.1138","0.1167","","","","","","1.096","","","","has coordinates,has disorder","250363","2020-10-21","18:00:00",""
"7157468","14.942","0.003","12.891","0.003","17.93","0.004","90","","90","","90","","3453.6","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7ae","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0887","0.0512","","","0.0993","0.1121","","","","","","1.038","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157469","13.151","0.003","18.198","0.004","19.461","0.004","90","","90","","90","","4657.4","1.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6ea","","- C28 H23 N3 S -","- C28 H23 N3 S -","- C224 H184 N24 S8 -","8","1","","Kim, Woo Gyum; Baek, Seung-Yeol; Jeong, Seo Yeong; Nam, Dongsik; Jeon, Ji Hwan; Choe, Wonyoung; Baik, Mu-Hyun; Hong, Sung You","Chemo- and regioselective click reactions through nickel-catalyzed azide-alkyne cycloaddition.","Organic & biomolecular chemistry","2020","18","17","3374","3381","10.1039/d0ob00579g","","","0.71073","MoKα","","0.0923","0.052","","","0.1038","0.1171","","","","","","1.016","","","","has coordinates","252906","2020-10-21","18:00:00",""
"7157503","10.372","0.0003","12.8487","0.0004","21.0007","0.0008","90","","90","","90","","2798.69","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B N O2 -","- C14 H18 B N O2 -","- C112 H144 B8 N8 O16 -","8","1","","Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min","Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.","Organic & biomolecular chemistry","2020","18","23","4390","4394","10.1039/d0ob00028k","","","1.54184","CuKα","","0.0613","0.0518","","","0.1352","0.1471","","","","","","1.055","","","","has coordinates,has disorder","257924","2020-10-21","18:00:00",""
"7157513","8.2789","0.0003","13.5084","0.0005","29.7538","0.0012","90","","90","","90","","3327.5","0.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H18 B F2 N O2 S -","- C15 H18 B F2 N O2 S -","- C120 H144 B8 F16 N8 O16 S8 -","8","1","","Wei, Jun; Bao, Kun; Wang, Yuan; Sheng, Rong; Hu, Jinbo","Novel usage of 2-BTSO<sub>2</sub>CF<sub>2</sub>H for metal-free electrophilic difluoroalkanethiolation of indoles.","Organic & biomolecular chemistry","2020","18","24","4556","4559","10.1039/d0ob00872a","","","0.71073","MoKα","","0.0869","0.0674","","","0.184","0.2059","","","","","","1.024","","","","has coordinates,has disorder","253970","2020-10-21","18:00:00",""
"7157523","7.016","0.002","16.476","0.006","19.291","0.006","90","","90","","90","","2230","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br3 N O2 -","- C8 H6 Br3 N O2 -","- C64 H48 Br24 N8 O16 -","8","1","","Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi","Reaction of ketone hydrazones with TeCl<sub>4</sub>: isolation and reactions of novel divinyl telluride.","Organic & biomolecular chemistry","2020","18","24","4583","4589","10.1039/d0ob00782j","","","0.71075","MoKα","","0.0945","0.0669","","","0.1487","0.1604","","","","","","1.002","","","","has coordinates","253974","2020-10-21","18:00:00",""
"7157538","15.1872","0.0009","16.3092","0.001","34.3428","0.0019","90","","90","","90","","8506.4","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N3 O6 -","- C25 H19 N3 O6 -","- C400 H304 N48 O96 -","16","2","","Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.","One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.","Organic & biomolecular chemistry","2020","18","26","4997","5007","10.1039/d0ob00591f","","","0.71073","MoKα","","0.233","0.079","","","0.1212","0.1657","","","","","","1.005","","","","has coordinates","255093","2020-10-21","18:00:00",""
"7157569","12.3316","0.0005","12.7106","0.0005","14.1603","0.0006","90","","90","","90","","2219.51","0.16","139","","139","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Deng, Jiajie; Wu, Xueting; Guo, Guiling; Zhao, Xiaohu; Yu, Zhipeng","Photoisomerization-enhanced 1,3-dipolar cycloaddition of carbon-bridged octocyclic azobenzene with photo-released nitrile imine for peptide stapling and imaging in live cells.","Organic & biomolecular chemistry","2020","18","29","5602","5607","10.1039/d0ob01027h","","x-ray","1.54184","CuKα","","0.0563","0.0539","","","0.1424","0.1454","","","","","","1.066","","","","has coordinates","255082","2020-10-21","18:00:00",""
"7157577","19.904","0.0006","11.4024","0.0004","21.6619","0.0007","90","","90","","90","","4916.2","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H30 O4 -","- C29 H30 O4 -","- C232 H240 O32 -","8","1","","Basu, Pallabita; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of indenofurans, benzofurans and spiro-lactones via Hauser-Kraus annulation involving 1,6-addition of phthalide to quinone methides.","Organic & biomolecular chemistry","2020","18","29","5677","5687","10.1039/d0ob01115k","","","0.71073","MoKα","","0.0628","0.0498","","","0.1223","0.1309","","","","","","1.164","","","","has coordinates","255079","2020-10-21","18:00:00",""
"7157597","7.6988","0.0002","11.4847","0.0003","30.9861","0.0009","90","","90","","90","","2739.74","0.13","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 S -","- C17 H13 N O2 S -","- C136 H104 N8 O16 S8 -","8","1","","Dai, Tianzi; Cui, Chen; Qi, Xueyu; Cheng, Yanshu; He, Qian; Zhang, Xiaofei; Luo, Xiaomin; Yang, Chunhao","Regioselective synthesis of substituted thiazoles via cascade reactions from 3-chlorochromones and thioamides.","Organic & biomolecular chemistry","2020","18","31","6162","6170","10.1039/d0ob01019g","","","0.71073","MoKα","","0.0635","0.0447","","","0.0974","0.1082","","","","","","1.021","","","","has coordinates","256173","2020-10-21","18:00:00",""
"7157605","11.995","0.005","14.196","0.006","22.602","0.01","90","","90","","90","","3849","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B F4 I O -","- C21 H18 B F4 I O -","- C168 H144 B8 F32 I8 O8 -","8","1","","Abudken, Ahmed M. H.; Hope, Eric G.; Singh, Kuldip; Stuart, Alison M.","Fluorinations of unsymmetrical diaryliodonium salts containing ortho-sidearms; influence of sidearm on selectivity.","Organic & biomolecular chemistry","2020","18","31","6140","6146","10.1039/d0ob01401j","","","0.71073","MoKα","","0.0528","0.0388","","","0.0814","0.0862","","","","","","1.058","","","","has coordinates","256171","2020-10-21","18:00:00",""
"7157648","13.5094","0.0016","11.092","0.0009","21.2668","0.0018","90","","90","","90","","3186.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C160 H120 N8 O24 -","8","1","","Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng","Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates.","Organic & biomolecular chemistry","2020","18","34","6724","6731","10.1039/d0ob00291g","","x-ray","0.71073","MoKα","","0.0607","0.0446","","","0.1005","0.1093","","","","","","1.075","","","","has coordinates","256183","2020-10-21","18:00:00",""
"7157679","9.7574","0.0004","16.3229","0.0007","33.1283","0.0014","90","","90","","90","","5276.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N7 O3 S -","- C25 H25 N7 O3 S -","- C200 H200 N56 O24 S8 -","8","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Diastereodivergent synthesis of dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties.","Organic & biomolecular chemistry","2020","18","35","6905","6911","10.1039/d0ob01628d","","","0.71073","MoKα","","0.0723","0.0693","","","0.1978","0.2006","","","","","","1.054","","","","has coordinates,has disorder","258973","2020-11-06","13:13:32",""
"7157689","14.6384","0.0003","6.909","0.0001","30.7229","0.0007","90","","90","","90","","3107.21","0.11","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","1.54178","CuKα","","0.0433","0.0375","","","0.0963","0.0997","","","","","","1.119","","","","has coordinates","258972","2020-11-06","13:13:09",""
"7157694","14.2321","0.0007","13.7476","0.0006","19.4973","0.0009","90","","90","","90","","3814.8","0.3","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","","Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.","Organic & biomolecular chemistry","2020","18","36","7201","7212","10.1039/d0ob01507e","","","0.71073","MoKα","","0.0608","0.0389","","","0.0879","0.1031","","","","","","1.076","","","","has coordinates","258972","2020-11-06","13:13:10",""
"7157695","13.9563","0.0002","10.5922","0.0002","15.5819","0.0002","90","","90","","90","","2303.44","0.06","173","0.1","173","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium iodide","","- C10 H12 I N3 -","- C10 H12 I N3 -","- C80 H96 I8 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","0.71073","MoKα","","0.0537","0.0308","","","0.0707","0.0848","","","","","","1.068","","","","has coordinates","258948","2020-11-06","13:07:29",""
"7157696","14.4577","0.0001","10.5526","0.0001","15.7197","0.0001","90","","90","","90","","2398.3","0.03","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-dimethyl-4-phenyl-1,2,3-triazolium tetrafluoroborate","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C80 H96 B8 F32 N24 -","8","1","","Byrne, Joseph P.; Albrecht, Martin","Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts.","Organic & biomolecular chemistry","2020","18","37","7379","7387","10.1039/d0ob01472a","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1276","0.1343","","","","","","1.083","","","","has coordinates,has disorder","258948","2020-11-06","13:07:30",""
"7157719","15.014","0.002","10.0228","0.0011","21.573","0.005","90","","90","","90","","3246.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N O -","- C10.2857 H10.2857 N1.14286 O1.71429 -","- C144 H144 N16 O24 -","14","1.75","","Luo, Yan; Chen, Chun-Hua; Zhu, Fan; Mo, Dong-Liang","Synthesis of α-aminooxy amides through [3 + 3] cycloaddition and Sc(OTf)<sub>3</sub>-catalyzed double C-N bond cleavage in a one-pot reaction.","Organic & biomolecular chemistry","2020","18","40","8209","8218","10.1039/d0ob01788d","","x-ray","0.71073","MoKα","","0.2084","0.0871","","","0.2286","0.3103","","","","","","1.018","","","","has coordinates","258965","2020-11-06","13:11:13",""
"7157736","12.9152","0.0018","15.907","0.002","18.038","0.003","90","","90","","90","","3705.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H N O -","- C2.7027 H2.05405 N0.108108 O0.324324 -","- C200 H152 N8 O24 -","74","9.25","","Liu, Siyuan; Wang, Hang; Wang, Baomin","Catalyst-free construction of spiro [benzoquinolizidine-chromanones] <i>via</i> a tandem condensation/1,5-hydride transfer/cyclization process.","Organic & biomolecular chemistry","2020","18","43","8839","8843","10.1039/d0ob01887b","","","0.71073","MoKα","","0.0746","0.0444","","","0.1062","0.1244","","","","","","0.996","","","","has coordinates","259622","2020-12-06","14:47:31",""
"7157737","8.3127","0.0002","17.1849","0.0003","20.9916","0.0004","90","","90","","90","","2998.71","0.11","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Jaspal, Sonam; Shinde, Vikki N.; Meena, Neha; Nipate, Dhananjay S.; Rangan, Krishnan; Kumar, Anil","Metal-free benzoylation of imidazoheterocycles by oxidative decarboxylation of arylglyoxylic acids.","Organic & biomolecular chemistry","2020","18","44","9072","9080","10.1039/d0ob01842b","","x-ray","1.54184","CuKα","","0.0464","0.0442","","","0.1217","0.1239","","","","","","1.096","","","","has coordinates","259620","2020-12-06","14:47:06",""
"7157741","9.2995","0.0005","9.7287","0.0005","37.4385","0.0019","90","","90","","90","","3387.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 F N3 -","- C21 H16 F N3 -","- C168 H128 F8 N24 -","8","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.0771","0.044","","","0.0892","0.1079","","","","","","1.076","","","","has coordinates","259436","2020-12-02","05:21:42",""
"7157849","8.0303","0.0001","9.6259","0.0002","27.807","0.0006","90","","90","","90","","2149.45","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-thia-5-azacyclododecane-4,12-dione","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","1","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0323","0.0284","","","0.0709","0.0737","","","","","","1.037","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157870","11.3651","0.0002","11.1837","0.0002","23.1292","0.0004","90","","90","","90","","2939.81","0.09","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2'-(benzylamino)-[3,4'-bipyridine]-3'-carbonitrile","","- C18 H14 N4 -","- C18 H14 N4 -","- C144 H112 N32 -","8","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0432","0.042","","","0.1121","0.1133","","","","","","1.027","","","","has coordinates","263839","2021-04-05","15:17:43",""
"7157876","12.8604","0.00016","17.5424","0.0003","28.9789","0.0004","90","","90","","90","","6537.71","0.17","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 N2 O5 S2 -","- C34 H36 N2 O5 S2 -","- C272 H288 N16 O40 S16 -","8","1","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","","1.54184","CuKα","","0.0594","0.0483","","","0.1315","0.1424","","","","","","1.054","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157959","9.8155","0.0006","16.0505","0.0014","29.742","0.002","90","","90","","90","","4685.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H18 F3 N O4 S2 -","- C26 H18 F3 N O4 S2 -","- C208 H144 F24 N8 O32 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0449","0.0393","","","0.0796","0.083","","","","","","1.105","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7158019","7.7449","0.0012","16.862","0.003","21.49","0.003","90","","90","","90","","2806.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 I N O3 -","- C15 H10 I N O3 -","- C120 H80 I8 N8 O24 -","8","1","","Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.","Organic & biomolecular chemistry","2021","19","19","4258","4262","10.1039/d1ob00468a","","","0.71073","MoKα","","0.0835","0.0398","","","0.1079","0.1349","","","","","","0.992","","","","has coordinates","266160","2021-06-05","19:27:39",""
"7158028","12.5334","0.0011","9.3516","0.0008","17.836","0.0015","90","","90","","90","","2090.5","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Natho, Philipp; Yang, Zeyu; Allen, Lewis A. T.; Rey, Juliette; White, Andrew J. P.; Parsons, Philip J.","An entry to 2-(cyclobut-1-en-1-yl)-1<i>H</i>-indoles through a cyclobutenylation/deprotection cascade.","Organic & biomolecular chemistry","2021","19","18","4048","4053","10.1039/d1ob00430a","","","0.71073","MoKα","","0.0916","0.0415","","","0.086","0.0951","","","","","","0.883","","","","has coordinates","266175","2021-06-05","19:29:45",""
"7158076","8.3195","0.0003","18.8155","0.0008","30.0395","0.0015","90","","90","","90","","4702.2","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br N4 O3 -","- C27 H23 Br N4 O3 -","- C216 H184 Br8 N32 O24 -","8","1","","Xu, Hui; Huang, Rong-Lu; Shu, Zhu; Hong, Ran; Zhang, Ze","Chemoselective synthesis of 5,4'-imidazolinyl spirobarbiturates <i>via</i> NBS-promoted cyclization of unsaturated barbiturates and amidines.","Organic & biomolecular chemistry","2021","19","22","4978","4985","10.1039/d1ob00508a","","","0.71073","MoKα","","0.0436","0.0324","","","0.0745","0.0796","","","","","","1.036","","","","has coordinates","267230","2021-07-05","18:11:04",""
"7158111","8.607","0.0005","14.6316","0.0008","22.5134","0.0014","90","","90","","90","","2835.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-isopropyl-1-phenyl-2-(trifluoromethylsulfonyl)-1,2-dihydropyrazol-5-one","","- C13 H13 F3 N2 O3 S -","- C13 H13 F3 N2 O3 S -","- C104 H104 F24 N16 O24 S8 -","8","1","","Panigrahi, Ahwan; Muniraj, Nachimuthu; Prabhu, Kandikere Ramaiah","<i>N</i>-Triflination of pyrazolones: a new method for N-S bond formation.","Organic & biomolecular chemistry","2021","19","25","5534","5538","10.1039/d1ob00862e","","x-ray","0.71073","MoKα","","0.0401","0.0375","","","0.0923","0.0938","","","","","","1.153","","","","has coordinates","267238","2021-07-05","18:12:49",""
"7158155","12.1633","0.0009","16.9191","0.0014","20.785","0.0016","90","","90","","90","","4277.4","0.6","273","2","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C192 H168 N24 O24 -","8","1","","Li, Wenhui; Xin, Jie; Zhai, Pingan; Lin, Jianying; Huang, Shuangping; Gao, Wenchao; Li, Xing","Access to highly functionalized imidazolones bearing α-amino acid esters <i>via</i> KOH-promoted annulation of amidines, nitrosoarenes and malonic esters.","Organic & biomolecular chemistry","2021","19","29","6473","6477","10.1039/d1ob00930c","","","0.71073","MoKα","","0.0976","0.0551","","","0.1267","0.1476","","","","","","1.045","","","","has coordinates","268912","2021-09-06","12:23:04",""
"7158168","15.006","0.006","6.157","0.002","27.288","0.01","90","","90","","90","","2521.2","1.6","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0898","0.0511","","","0.1295","0.1475","","","","","","1.084","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158230","6.8865","0.0007","22.291","0.003","25.817","0.002","90","","90","","90","","3963.1","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 F N2 O3 -","- C26 H17 F N2 O3 -","- C208 H136 F8 N16 O24 -","8","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.0479","0.0378","","","0.097","0.1041","","","","","","1.038","","","","has coordinates","268950","2021-09-06","12:32:38",""
"7158235","16.1778","0.001","11.4254","0.0007","18.2577","0.0011","90","","90","","90","","3374.7","0.4","182","","182","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 O2 -","- C22 H17 F3 O2 -","- C176 H136 F24 O16 -","8","1","","Gao, Wangxi; Niu, Lixin; Wang, Tao; Liang, Yong; Wang, Ding; Zhang, Zunting","Synthesis of cis/trans-dihydrochromenones via a photoinduced rearrangement of 4-phenyl-3-aryl/cyclohexenylcoumarins.","Organic & biomolecular chemistry","2021","19","33","7176","7180","10.1039/d1ob01058a","","","0.71073","MoKα","","0.0387","0.0337","","","0.089","0.0931","","","","","","1.053","","","","has coordinates","268937","2021-09-06","12:29:00",""
"7158240","11.7188","0.0009","11.8757","0.0009","13.5901","0.001","90","","90","","90","","1891.3","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Br I N2 -","- C6 H10 Br I N2 -","- C48 H80 Br8 I8 N16 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0382","0.0263","","","0.061","0.0696","","","","","","1.111","","","","has coordinates","269786","2021-10-06","16:16:39",""
"7158241","15.7331","0.0003","13.3955","0.0003","23.5749","0.0005","90","","90","","90","","4968.47","0.18","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 I6 N4 -","- C12 H20 I6 N4 -","- C96 H160 I48 N32 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0371","0.0267","","","0.0573","0.0626","","","","","","1.051","","","","has coordinates,has disorder","269786","2021-10-06","16:16:39",""
"7158263","18.4643","0.0012","8.6875","0.0006","32.046","0.002","90","","90","","90","","5140.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H27 F -","- C35 H27 F -","- C280 H216 F8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1079","0.0524","","","0.1","0.1268","","","","","","1.078","","","","has coordinates,has disorder","269779","2021-10-06","16:15:31",""
"7158314","18.8089","0.0013","17.8043","0.0012","21.9597","0.0015","90","","90","","90","","7353.8","0.9","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H34 N4 O -","- C43 H32 N4 O -","- C344 H256 N32 O8 -","8","1","","Nawaz, Shah; Huang, Yue; Bao, Xiaoze; Wei, Shiqiang; Wei, Xingfu; Qu, Jingping; Wang, Baomin","Construction of a spiro[pyrazolone-4,2'-pyridoindole] scaffold <i>via</i> a [3 + 3] cycloaddition of 2-indolylmethanol with a 4-aminopyrazolone-derived azomethine ylide.","Organic & biomolecular chemistry","2021","19","39","8530","8538","10.1039/d1ob01631h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1451","0.1645","","","","","","1.069","","","","has coordinates","270503","2021-11-06","20:41:55",""
"7158341","15.718","0.002","13.4294","0.0019","24.95","0.003","90","","90","","90","","5266.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H21 F3 N2 O5 -","- C27 H21 F3 N2 O5 -","- C216 H168 F24 N16 O40 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1609","0.087","","","0.2044","0.2534","","","","","","1.008","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158347","11.631","0.002","14.557","0.003","15.796","0.003","90","","90","","90","","2674.5","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","","Xu, Zhaoliang; Hu, Yu; Wang, Lei; Sun, Mingli; Li, Pinhua","Merging cobalt and photoredox catalysis for the C8-H alkoxylation of 1-naphthylamine derivatives with alcohols.","Organic & biomolecular chemistry","2021","19","46","10112","10119","10.1039/d1ob01721g","","","0.71073","MoKα","","0.1003","0.0436","","","0.0937","0.1143","","","","","","1.001","","","","has coordinates","271220","2021-12-07","03:53:17",""
"7158350","8.3925","0.0006","11.705","0.0009","23.1584","0.0019","90","","90","","90","","2274.9","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5aa","","- C11 H9 F3 N2 O S -","- C11 H9 F3 N2 O S -","- C88 H72 F24 N16 O8 S8 -","8","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.137","0.0724","","","0.0811","0.1043","","","","","","0.997","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158378","10.9788","0.0001","14.7369","0.0001","22.0879","0.0002","90","","90","","90","","3573.68","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C152 H176 N32 O24 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0355","0.0325","","","0.0831","0.085","","","","","","1.06","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158393","12.8729","0.0014","12.6636","0.0014","15.6817","0.0015","90","","90","","90","","2556.4","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C96 H136 F24 N16 O16 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1237","0.0584","","","0.1554","0.2194","","","","","","1.008","","","","has coordinates,has disorder","271226","2021-12-07","03:55:21",""
"7158524","7.7233","0.0008","23.323","0.002","30.276","0.003","90","","90","","90","","5453.6","0.9","293.1","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O7 -","- C28 H32 N2 O7 -","- C224 H256 N16 O56 -","8","1","","Koványi-Lax, Györgyi; Hargitai, Csilla; Ábrányi-Balogh, Péter; Nagy, Tamás; Tóth, Gábor; Garádi, Zsófia; Németh, Gábor; Pandur, Angéla; Horváth, Simon; Dancsó, András; Simig, Gyula; Volk, Balázs","Experimental and computational study of BF<sub>3</sub>-catalyzed transformations of <i>ortho</i>-(pivaloylaminomethyl)benzaldehydes: an unexpected difference from TFA catalysis.","Organic & biomolecular chemistry","2022","20","9","1933","1944","10.1039/d1ob02308j","","","1.54187","CuKα","","","0.1747","","","","0.2345","","","","","","1.067","","","","has coordinates","273433","2022-03-04","22:25:52",""
"7158536","9.8183","0.0014","17.594","0.003","25.274","0.004","90","","90","","90","","4365.9","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 Cl3 N2 O -","- C25 H23 Cl3 N2 O -","- C200 H184 Cl24 N16 O8 -","8","1","","Suresh, Alati; Lal, Sohan; Namboothiri, Irishi N.","Regio- and stereoselective synthesis of functionalized and fused heterocycles from Morita-Baylis-Hillman adducts of dicyclopentadienone","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02505H","","x-ray","0.71073","MoKα","","0.1671","0.0805","","","0.1427","0.1902","","","","","","1.028","","","","has coordinates","273152","2022-02-25","01:37:24",""
"7158582","14.998","0.0006","12.8933","0.0005","21.1475","0.0011","90","","90","","90","","4089.4","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Cl N O6 -","- C23 H22 Cl N O6 -","- C184 H176 Cl8 N8 O48 -","8","1","","Tang, Zhishun; Chen, Linghong; Yin, Pengxuan; Yang, Lu; Shi, Zhichuan; Zhao, Zhigang; Ye, Ling; Li, Xuefeng","Diastereoselective construction of tetracyclic chromanes <i>via</i> a triply annulative strategy.","Organic & biomolecular chemistry","2022","20","16","3342","3347","10.1039/d2ob00326k","","x-ray","0.71073","MoKα","","0.0502","0.0389","","","0.083","0.0903","","","","","","1.057","","","","has coordinates","275064","2022-05-05","20:55:15",""
"7158585","6.7389","0.0012","14.205","0.003","32.179","0.006","90","","90","","90","","3080.4","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 S -","- C14 H12 Cl2 O4 S -","- C112 H96 Cl16 O32 S8 -","8","1","","Jain, Anshul; Maji, Sushobhan; Shukla, Khyati; Kumari, Akanksha; Garg, Shivani; Metre, Ramesh K.; Bhattacharyya, Sudipta; Rana, Nirmal K.","Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00052K","","","0.71073","MoKα","","0.0572","0.0447","","","0.1163","0.1231","","","","","","1.09","","","","has coordinates","273909","2022-03-23","01:33:23",""
"7158628","11.6817","0.0008","7.6497","0.0006","23.7774","0.0016","90","","90","","90","","2124.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","1","","Mandal, Rahul Dev; Saha, Moumita; Das, Asish R.","Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp<sup>3</sup>)-O cross-coupling.","Organic & biomolecular chemistry","2022","20","14","2939","2963","10.1039/d2ob00381c","","","0.71073","MoKα","","0.0358","0.031","","","0.1088","0.1199","","","","","","0.936","","","","has coordinates","274412","2022-04-07","00:34:56",""
"7158631","15.582","0.003","12.447","0.003","22.472","0.005","90","","90","","90","","4358.4","1.7","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F3 N6 O2 -","- C24 H13 F3 N6 O2 -","- C192 H104 F24 N48 O16 -","8","1","","Fang, Zheng; Teng, Yun; Yang, Huilin; Li, Rongxing; Li, Qiuhong; You, Yi; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl pyridazines <i>via</i> annulation of pyridinium ylides with trifluoroacetyl diazoester.","Organic & biomolecular chemistry","2022","20","17","3564","3569","10.1039/d2ob00483f","","","0.71073","MoKα","","0.2218","0.1079","","","0.223","0.2615","","","","","","1.098","","","","has coordinates","275053","2022-05-05","20:53:35",""
"7158713","17.4162","0.0016","11.9045","0.0011","34.111","0.003","90","","90","","90","","7072.3","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H23 N3 O4 -","- C37 H23 N3 O4 -","- C296 H184 N24 O32 -","8","1","","Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo","Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.","Organic & biomolecular chemistry","2022","20","24","4964","4969","10.1039/d2ob00815g","","","0.71073","MoKα","","0.1964","0.0859","","","0.2212","0.2761","","","","","","1.023","","","","has coordinates","276672","2022-07-06","08:34:57",""
"7158753","13.6854","0.0003","17.3409","0.0003","22.5373","0.0003","90","","90","","90","","5348.49","0.17","292.3","0.2","292.3","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H32 N2 O4 S2 -","- C26 H32 N2 O4 S2 -","- C208 H256 N16 O32 S16 -","8","1","","Deng, Qingsong; Gu, Jun; Zhang, Huan; Zhang, Youlai; Meng, Xiangtai","Sustainable access to benzothiophene derivatives bearing a trifluoromethyl group via a three-component domino reaction in water","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01034H","","x-ray","1.54184","CuKα","","0.0496","0.0436","","","0.1294","0.1354","","","","","","1.06","","","","has coordinates,has disorder","276464","2022-07-01","00:36:03",""
"7158809","16.2326","0.001","8.5326","0.0005","20.3607","0.0013","90","","90","","90","","2820.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aR,13aS)-2-methyl-3a,13a-dihydro-1H-benzo[4,5]imidazo[2,1-a]pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C144 H104 N24 O16 -","8","1","","Huang, Ying-Ti; Barve, Indrajeet; Huang, Yi-Ting; Dhole, Sandip; Chiu, Wei-Jung; Sun, Chung-Ming","Substrate-Controlled Rh(III)-Catalyzed Regiodivergent Annulation to Fused and Spiro Benzimidazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00906D","","","0.71073","MoKα","","0.1653","0.1443","","","0.327","0.3365","","","","","","1.205","","","","has coordinates","277066","2022-08-04","00:37:26",""
"7159105","15.9413","0.0002","11.7661","0.0001","19.6971","0.0002","90","","90","","90","","3694.52","0.07","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 S -","- C23 H20 O3 S -","- C184 H160 O24 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang","Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles.","Organic & biomolecular chemistry","2023","21","7","1487","1500","10.1039/d2ob02199d","","x-ray","0.71073","MoKα","","0.0346","0.0313","","","0.0806","0.0823","","","","","","1.06","","","","has coordinates","281589","2023-03-04","18:43:55",""
"7159120","8.1791","0.0001","19.9839","0.0003","20.2957","0.0003","90","","90","","90","","3317.34","0.08","298.98","0.1","298.98","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F N2 O3 S -","- C18 H15 F N2 O3 S -","- C144 H120 F8 N16 O24 S8 -","8","1","","Li, Yarui; Huang, Xiaoxia; Peng, Shiyong; Wang, Jian; Lang, Ming","NHC-catalyzed [3 + 3] cycloaddition of α-bromoenals with nitroketene aminals or nitroketene <i>N</i>,<i>S</i>-acetals: synthesis of nitro-containing dihydropyridin-2-ones.","Organic & biomolecular chemistry","2023","21","7","1399","1403","10.1039/d2ob02334b","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0953","0.0986","","","","","","1.056","","","","has coordinates","281590","2023-03-04","18:44:03",""
"7159245","7.6114","0.0004","15.1521","0.0007","21.9238","0.0011","90","","90","","90","","2528.4","0.2","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","1","","Beghennou, Anissa; Gontard, Geoffrey; Dossmann, Héloïse; Passador, Kévin; Thorimbert, Serge; Corcé, Vincent; Botuha, Candice","1,6-Naphthyridin-7(6<i>H</i>)-ones: synthesis and optical properties.","Organic & biomolecular chemistry","2023","21","14","2976","2982","10.1039/d3ob00081h","","","1.54178","CuKα","","0.0353","0.0311","","","0.085","0.0881","","","","","","1.049","","","","has coordinates","283454","2023-05-05","03:18:17",""
"7159298","8.2581","0.0001","15.3881","0.0001","31.9391","0.0002","90","","90","","90","","4058.71","0.06","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O6 Si -","- C19 H26 N2 O6 Si -","- C152 H208 N16 O48 Si8 -","8","1","","Saney, Liban; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Tetramate derivatives by chemoselective Dieckmann ring closure of <i>allo</i>-phenylserines, and their antibacterial activity.","Organic & biomolecular chemistry","2023","21","19","4061","4071","10.1039/d3ob00376k","","","1.54184","CuKα","","0.0375","0.0334","","0.0932","0.0881","0.0932","","","","","","0.9967","","","","has coordinates","284309","2023-06-05","04:51:15",""
"7159302","12.1705","0.0009","16.4186","0.001","17.4433","0.001","90","","90","","90","","3485.6","0.4","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C160 H192 O40 -","8","1","","Canko, Aleksander; Athanassopoulou, Georgia D.; Psycharis, Vassilis; Raptopoulou, Catherine P.; Herniman, Julie M.; Mouchtouris, Vasileios; Foscolos, Angeliki Sofia; Couladouros, Elias A.; Vidali, Veroniki P.","First total synthesis of type II abyssomicins: (±)-abyssomicin 2 and (±)-neoabyssomicin B.","Organic & biomolecular chemistry","2023","21","18","3761","3765","10.1039/d3ob00476g","","","0.71073","MoKα","","0.0941","0.0528","","","0.1308","0.1577","","","","","","0.912","","","","has coordinates","284330","2023-06-05","04:57:14",""
"7159306","12.1137","0.0008","9.2789","0.0007","21.5088","0.0015","90","","90","","90","","2417.6","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C120 H80 N16 O8 -","8","1","","Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon","Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.","Organic & biomolecular chemistry","2023","21","18","3881","3895","10.1039/d3ob00471f","","","0.71073","MoKα","","0.0705","0.0468","","","0.1025","0.1205","","","","","","1.074","","","","has coordinates","284328","2023-06-05","04:57:03",""
"7159307","8.3581","0.0007","15.8178","0.0011","24.7199","0.0017","90","","90","","90","","3268.1","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 S -","- C20 H16 N2 S -","- C160 H128 N16 S8 -","8","1","","Liu, Yi; Gao, Wei; Yuan, Sitian; Ni, Mengjia; Hao, Tianxin; Zeng, Cuiying; Xu, Xinyi; Fu, Yang; Peng, Yiyuan; Ding, Qiuping","One-pot synthesis of 11-sulfenyl dibenzodiazepines <i>via</i> tandem sulfenylation/cyclization of <i>o</i>-isocyanodiaryl amines and diaryl disulfides.","Organic & biomolecular chemistry","2023","21","20","4257","4263","10.1039/d3ob00220a","","x-ray","0.71073","MoKα","","0.0881","0.0529","","","0.1131","0.1286","","","","","","1.08","","","","has coordinates","284317","2023-06-05","04:52:35",""
"7159341","11.094","0.01","12.199","0.012","22.35","0.02","90","","90","","90","","3025","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 B N2 O Si -","- C15 H17 B N2 O Si -","- C120 H136 B8 N16 O8 Si8 -","8","1","","Tomota, Kazuki; Izumi, Yuki; Nakanishi, Kazuki; Nakamoto, Masaaki; Yoshida, Hiroto","Efficient one-pot synthesis of dan-substituted organo- and silyl-boron compounds.","Organic & biomolecular chemistry","2023","21","26","5347","5350","10.1039/d3ob00613a","","","0.71073","MoKα","","0.0697","0.042","","","0.0982","0.1121","","","","","","1.024","","","","has coordinates","285516","2023-08-05","09:31:52",""
"7159358","8.2123","0.0004","8.7897","0.0003","30.3416","0.0012","90","","90","","90","","2190.17","0.16","193","","193","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C96 H120 N24 -","8","1","","Luo, Zhengshan; Xing, Zequn; Gao, Rui; Han, Yufang; Ren, Jun; Wang, Zhongwen","Visible-light organophotoredox-mediated intermolecular formal [4 + 2] cycloadditions of arylcyclobutylamines with olefins.","Organic & biomolecular chemistry","2023","21","22","4637","4642","10.1039/d3ob00527e","","x-ray","0.71073","MoKα","","0.0975","0.0684","","","0.1396","0.1531","","","","","","1.154","","","","has coordinates","284963","2023-07-05","10:52:40",""
"7159397","11.1141","0.0004","14.4848","0.0006","20.8204","0.0008","90","","90","","90","","3351.8","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Tian, Guang; Jin, Wei-Li; Qin, Chuanguang; Wang, Jie","Convenient synthesis of <i>N</i>-alkyl-3,1-benzoxazin-2-ones from carbamate protected anthranil aldehydes and ketones <i>via</i> one-step alkylation/alkoxy rearrangement.","Organic & biomolecular chemistry","2023","21","28","5757","5761","10.1039/d3ob00812f","","","0.71073","MoKα","","0.0631","0.0401","","","0.088","0.1033","","","","","","1.043","","","","has coordinates","285507","2023-08-05","09:30:09",""
"7159413","6.7519","0.0006","15.0413","0.0013","24.732","0.002","90","","90","","90","","2511.7","0.4","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C112 H104 Cl8 N16 O8 -","8","1","","Vaskevych, Alla I.; Savinchuk, Nataliia O.; Vaskevych, Ruslan I.; Shishkina, Svitlana V.; Vovk, Mykhailo V.","Pd-catalyzed oxidative amination of 2-alkenylquinazolin-4(3H)-ones: synthesis of methylene and vinyl derivatives of pyrrolo(pyrido)[2,1-b]quinazolinones","Organic & Biomolecular Chemistry","2023","21","28","5866","5872","10.1039/D3OB00834G","","","0.71073","MoKα","","0.0622","0.0466","","","0.105","0.1169","","","","","","1.087","","","","has coordinates","285508","2023-08-05","09:30:15",""
"7159415","11.6847","0.0003","13.9633","0.0003","23.2986","0.0006","90","","90","","90","","3801.33","0.16","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Huang, Tingzhong; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao","Gold-catalyzed tandem reaction of <i>o</i>-alkynylphenols with diazo compounds: access to 2,3-disubstituted benzofurans.","Organic & biomolecular chemistry","2023","21","28","5752","5756","10.1039/d3ob00893b","","","1.34139","GaKα","","0.0525","0.0433","","","0.1405","0.1499","","","","","","1.192","","","","has coordinates","285509","2023-08-05","09:30:24",""
"7159481","11.1261","0.0007","7.8636","0.0005","25.4825","0.0016","90","","90","","90","","2229.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl N3 O -","- C12 H8 Cl N3 O -","- C96 H64 Cl8 N24 O8 -","8","1","","Zhu, Chen; Zhou, Jubao; Li, Tianxing; Yang, Jiaxin; Jin, Hui; Zhang, Lixin","Access to 2-pyridinones comprising enaminonitriles <i>via</i> AgOAc promoted cascade reactions of thioesters with aminomethylene malononitriles.","Organic & biomolecular chemistry","2023","21","34","6881","6885","10.1039/d3ob00915g","","","0.71073","MoKα","","0.1099","0.0533","","","0.1111","0.1385","","","","","","1.049","","","","has coordinates","286194","2023-09-05","20:23:35",""
"7159528","9.668","0.0001","16.949","0.0002","30.1249","0.0004","90","","90","","90","","4936.35","0.1","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H29 N O6 -","- C28 H29 N O6 -","- C224 H232 N8 O48 -","8","1","","Li, Wenhui; Lin, Jianying; Huang, Shuangping; Liu, Qiang; Wei, Wenlong; Li, Xing","Cycloaddition of <i>N</i>-arylnitrones with donor-acceptor oxiranes <i>via</i> C-C bond cleavage to construct 1,5,2-dioxazinanes.","Organic & biomolecular chemistry","2023","21","33","6778","6782","10.1039/d3ob00375b","","x-ray","1.54184","CuKα","","0.0542","0.0484","","","0.1281","0.1331","","","","","","1.055","","","","has coordinates","286183","2023-09-05","20:21:39",""
"7159559","9.8436","0.0004","18.806","0.0007","18.806","0.0007","90","","90","","90","","3481.3","0.2","273.15","","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ukaji 6","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Ohno, Haruki; Takahashi, Ryosuke; Suga, Takuya; Soeta, Takahiro; Ukaji, Yutaka","Divergent transformation of <i>C</i>,<i>N</i>-cyclic-<i>N</i>'-acyl azomethine imines by reaction with diazo compounds.","Organic & biomolecular chemistry","2023","21","39","7891","7894","10.1039/d3ob01165h","","","1.54178","CuKα","","0.0369","0.0347","","","0.0853","0.0871","","","","","","1.038","","","","has coordinates","287415","2023-11-06","08:21:55",""
"7159585","15.6014","0.0004","16.7367","0.0004","17.4153","0.0004","90","","90","","90","","4547.41","0.19","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 N O5 -","- C25 H27 N O5 -","- C200 H216 N8 O40 -","8","1","","Yan, Maying; Xiao, Lei; Xiong, Jiangkun; Jin, Lvnan; Stephan, Douglas W.; Guo, Jing","Borane catalyzed transesterification of <i>tert</i>-butyl esters using α-aryl α-diazoesters.","Organic & biomolecular chemistry","2023","21","41","8279","8283","10.1039/d3ob01548c","","","1.54178","CuKα","","0.0575","0.0463","","","0.1213","0.1305","","","","","","1.059","","","","has coordinates","287404","2023-11-06","08:18:55",""
"7159614","8.0818","0.0007","16.4868","0.0015","32.475","0.003","90","","90","","90","","4327.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C208 H240 N16 O16 -","8","1","","Bhattacharjee, Prantika; Sarma, Bipul; Bora, Utpal","Molecular-iodine catalyzed selective construction of cyclopenta[<i>b</i>]indoles from indoles and acetone: a green gateway to indole-fused cycles.","Organic & biomolecular chemistry","2023","21","46","9275","9285","10.1039/d3ob01561k","","","0.71073","MoKα","","0.0523","0.0429","","","0.0897","0.0941","","","","","","1.063","","","","has coordinates","288875","2024-01-06","09:30:06",""
"7159638","12.9083","0.0011","8.1492","0.0007","20.8706","0.0018","90","","90","","90","","2195.4","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C88 H88 N8 O32 S8 -","8","1","","Sun, Li; Li, Jiyu; Wu, Yafei; Li, Ying; Chen, Junqi; Xia, Xiaoye; Yuan, Chunhao; Guo, Hongchao; Mao, Biming","Palladium-catalyzed [4 + 2] cycloaddition of 2-methylidenetrimethylene carbonate or methylene cyclic carbamate with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2023","21","40","8107","8111","10.1039/d3ob01361h","","","0.71073","MoKα","","0.088","0.0592","","","0.1499","0.1648","","","","","","1.048","","","","has coordinates","287282","2023-11-05","12:52:45",""
"7159704","17.3854","0.0019","7.5604","0.0008","20.364","0.002","90","","90","","90","","2676.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N4 O -","- C16 H6 N4 O -","- C128 H48 N32 O8 -","8","1","","Oh, Hyunjin; Kim, Ikyon","Catalyst-free assembly of a polyfunctionalized 1,2,4-triazole-fused N-heterocycle, 6-acylated pyrrolo[1,2-<i>a</i>][1,2,4]triazolo[5,1-<i>c</i>]pyrazine.","Organic & biomolecular chemistry","2024","22","2","320","336","10.1039/d3ob01747h","","","0.71073","MoKα","","0.0984","0.0738","","","0.2067","0.2302","","","","","","1.076","","","","has coordinates","289628","2024-02-04","12:29:34",""
"7159713","13.2109","0.0002","7.6302","0.0001","27.8997","0.0003","90","","90","","90","","2812.34","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N2 O6 -","- C16 H10 N2 O6 -","- C128 H80 N16 O48 -","8","1","","Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin","Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.","Organic & biomolecular chemistry","2024","22","3","590","605","10.1039/d3ob01712e","","x-ray","1.54184","CuKα","","0.0521","0.0459","","","0.1236","0.14","","","","","","1.119","","","","has coordinates","289636","2024-02-04","12:30:29",""
"7159785","7.879","0.0003","12.9879","0.0004","25.3279","0.0009","90","","90","","90","","2591.85","0.16","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.","Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates","Organic & Biomolecular Chemistry","2024","22","8","1727","1732","10.1039/D3OB01794J","","","0.71073","MoKα","","0.047","0.0394","","","0.0979","0.1029","","","","","","1.068","","","","has coordinates","290252","2024-03-04","20:39:38",""
"7159799","14.834","0.0012","12.7431","0.0009","27.038","0.002","90","","90","","90","","5111","0.7","150","2","150","2","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O8 -","- C29 H32 O8 -","- C232 H256 O64 -","8","1","","Uriac, Philippe; Ferron, Solenn; Jehan, Philippe; Roisnel, Thierry; Tomasi, Sophie","Δ-Keto-acid/hydroxy-lactone isomerization in some lichen depsides, depsidones and diphenyl ethers.","Organic & biomolecular chemistry","2024","22","11","2264","2270","10.1039/d3ob02026f","","x-ray","0.71073","MoKα","","0.0959","0.084","","","0.1704","0.1758","","","","","","1.275","","","","has coordinates,has disorder","291055","2024-04-05","00:12:49",""
"7159841","12.7391","0.0007","9.0644","0.0005","24.8179","0.0014","90","","90","","90","","2865.8","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.1315","0.0924","","","0.2234","0.2452","","","","","","1.097","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159843","13.347","0.002","7.581","0.002","29.868","0.003","90","","90","","90","","3022.2","1","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl F3 N2 O -","- C16 H10 Cl F3 N2 O -","- C128 H80 Cl8 F24 N16 O8 -","8","1","","Kumar, Madan; Goswami, Avijit","Synthesis of trifluoroethoxy/aryloxy cinnolines, cinnolinones and indazoles from <i>o</i>-alkynylanilines <i>via</i> metal-free diazotization reagent.","Organic & biomolecular chemistry","2024","22","13","2608","2619","10.1039/d4ob00058g","","x-ray","0.71073","MoKα","","0.0641","0.053","","","0.1366","0.1446","","","","","","1.063","","","","has coordinates","291044","2024-04-05","00:11:14",""
"7159870","11.2732","0.0007","15.3186","0.0011","26.6578","0.0018","90","","90","","90","","4603.5","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H24 N2 S2 -","- C28 H24 N2 S2 -","- C224 H192 N16 S16 -","8","1","","Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.","Reductive dimerization of benzothiazolium salts.","Organic & biomolecular chemistry","2024","22","10","2115","2123","10.1039/d3ob01871g","","","0.71073","MoKα","","0.0841","0.0456","","","0.1291","0.1749","","","","","","1.133","","","","has coordinates","290787","2024-04-04","15:31:05",""
"7159921","20.4669","0.0003","8.1277","0.0001","21.7889","0.0004","90","","90","","90","","3624.56","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C192 H120 N8 O32 -","8","1","","Yadav, Anup Kumar; Yadav, Dhananjay; Kumar, Vipin; Ray, Subhasish; Singh, Maya Shankar","PIDA-Promoted metal-free [3 + 2] heteroannulation of β-ketothioamides with 4-hydroxy coumarins: chemo-/regioselective access to furo[3,2-c]chromen-4-ones at room temperature","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00438H","","x-ray","1.54184","CuKα","","0.0538","0.0413","","","0.1101","0.119","","","","","","1.038","","","","has coordinates","291426","2024-05-01","00:34:40",""
"7159924","12.5878","0.0004","9.5702","0.0003","21.3754","0.0006","90","","90","","90","","2575.05","0.14","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 O -","- C16 H9 N3 O -","- C128 H72 N24 O8 -","8","1","","Feng, Heng; Hou, Jie; Mu, Xiaonan; Zheng, Renhua; Geng, Xiao; Wang, Lei","BPO-Promoted [4 + 2] cyclization of enaminones and o-phenylenediamines to 2-acyl quinoxalines via a cascade transamination and C–H amination","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00494A","","","1.54178","CuKα","","0.0427","0.035","","","0.0972","0.1004","","","","","","1.069","","","","has coordinates","291428","2024-05-01","00:35:08",""
"7200219","9.2621","0.0006","11.5931","0.0007","34.72","0.002","90","","90","","90","","3728.1","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0572","0.0377","","","0.0965","0.106","","","","","","1.048","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200220","8.346","0.002","8.243","0.002","24.679","0.006","90","","90","","90","","1697.8","0.7","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1301","0.0671","","","0.1652","0.1917","","","","","","1.056","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200226","11.59","0.003","13.283","0.003","13.73","0.003","90","","90","","90","","2113.7","0.9","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.074","0.0395","","","0.0852","0.0963","","","","","","1.053","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200347","11.3328","0.0008","9.5211","0.0006","15.3985","0.0011","90","","90","","90","","1661.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F2 N2 O2 -","- C18 H18 F2 N2 O2 -","- C72 H72 F8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1377","0.1483","","","","","","1.034","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200380","18.2813","0.0008","8.1124","0.0004","26.4524","0.0012","90","","90","","90","","3923","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C96 H136 Br32 Hg16 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0802","0.0463","","","0.1018","0.1191","","","","","","1.016","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200381","18.9518","0.0019","8.5212","0.0009","27.755","0.003","90","","90","","90","","4482.2","0.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Hg2 I4 N S2 -","- C12 H17 Hg2 I4 N S2 -","- C96 H136 Hg16 I32 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0693","0.0427","","","0.1084","0.1331","","","","","","1.118","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200393","15.979","0.003","14.653","0.003","18.466","0.004","90","","90","","90","","4323.6","1.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C224 H144 N32 O16 -","8","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1221","0.0423","","","0.1201","0.1478","","","","","","0.852","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200436","10.3129","0.0006","7.4611","0.0005","25.3216","0.0016","90","","90","","90","","1948.4","0.2","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.079","0.0505","","","0.1294","0.1556","","","","","","1.046","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200437","10.2801","0.0008","7.411","0.0005","25.2458","0.0019","90","","90","","90","","1923.4","0.2","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0702","0.0535","","","0.1497","0.1697","","","","","","1.031","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200438","10.2466","0.0006","7.3631","0.0004","25.1655","0.0015","90","","90","","90","","1898.65","0.19","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0549","0.0458","","","0.1348","0.1467","","","","","","1.073","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200439","10.2078","0.0006","7.3313","0.0004","25.1387","0.0014","90","","90","","90","","1881.29","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0503","0.0422","","","0.124","0.1339","","","","","","1.057","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200440","10.1607","0.0005","7.296","0.0004","25.1132","0.0013","90","","90","","90","","1861.7","0.17","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0442","0.0391","","","0.114","0.1197","","","","","","1.059","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200517","9.751","0.0008","10.1889","0.0008","20.6391","0.0008","90","","90","","90","","2050.5","0.2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Y -","- C4 H8 N O9 P2 Y -","- C32 H64 N8 O72 P16 Y8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.2249","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200518","9.8645","0.0016","10.3423","0.0016","20.454","0.003","90","","90","","90","","2086.8","0.6","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 La N O9 P2 -","- C4 H8 La N O9 P2 -","- C32 H64 La8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.1349","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200519","9.9654","0.0008","10.4467","0.0009","20.708","0.002","90","","90","","90","","2155.8","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 La N O9 P2 -","- C4 H8 La N O9 P2 -","- C32 H64 La8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","","","0.71013","Synchrotron","","0.2022","0.1909","","","0.447","0.4537","","","","","","1.157","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200520","9.7951","0.0009","10.2777","0.0009","20.4047","0.0018","90","","90","","90","","2054.2","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Pr -","- C4 H8 N O9 P2 Pr -","- C32 H64 N8 O72 P16 Pr8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","8.8946","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200521","9.7736","0.0014","10.2529","0.0015","20.4","0.003","90","","90","","90","","2044.2","0.5","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N Nd O9 P2 -","- C4 H8 N Nd O9 P2 -","- C32 H64 N8 Nd8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.8831","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200522","9.8402","0.0007","10.3073","0.0008","20.6805","0.0013","90","","90","","90","","2097.5","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Sm -","- C4 H8 N O9 P2 Sm -","- C32 H64 N8 O72 P16 Sm8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","8.9106","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200523","9.8328","0.001","10.2989","0.0011","20.6667","0.0012","90","","90","","90","","2092.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Eu N O9 P2 -","- C4 H8 Eu N O9 P2 -","- C32 H64 Eu8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.1133","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200524","9.8093","0.0007","10.2734","0.0008","20.6812","0.0011","90","","90","","90","","2084.1","0.2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Gd N O9 P2 -","- C4 H8 Gd N O9 P2 -","- C32 H64 Gd8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","9.9385","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200525","9.6686","0.0017","10.1018","0.0018","20.359","0.004","90","","90","","90","","1988.5","0.6","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 N O9 P2 Tb -","- C4 H8 N O8.88 P2 Tb -","- C32 H64 N8 O71.04 P16 Tb8 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","11.017","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200526","9.7725","0.001","10.2143","0.0011","20.66","0.0018","90","","90","","90","","2062.3","0.4","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Dy N O9 P2 -","- C4 H8 Dy N O9 P2 -","- C32 H64 Dy8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","10.1911","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200527","9.7409","0.0006","10.1812","0.0006","20.6262","0.0013","90","","90","","90","","2045.6","0.2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Ho N O9 P2 -","- C4 H8 Ho N O9 P2 -","- C32 H64 Ho8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","11.9288","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200528","9.6224","0.0014","10.0504","0.0015","20.334","0.003","90","","90","","90","","1966.5","0.5","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Er N O9 P2 -","- C4 H8 Er N O9 P2 -","- C32 H64 Er8 N8 O72 P16 -","8","1","","Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João","Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies","Journal of Materials Chemistry","2009","19","17","2618","","10.1039/b817381h","powder diffraction","","","X-ray","","","","","","","","","10.352","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200540","20.1491","0.0003","7.6548","0.0001","25.6413","0.0005","90","","90","","90","","3954.85","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Mn N2 O5 S3 -","- C18 H13 Mn N2 O5 S3 -","- C144 H104 Mn8 N16 O40 S24 -","8","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0365","0.0305","","","0.0852","0.0869","","","","","","1.007","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200550","10.839","0.002","12.536","0.003","18.91","0.004","90","","90","","90","","2569.4","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H13 Cl N4 S2 Zn -","- C8 H13 Cl N4 S2 Zn -","- C64 H104 Cl8 N32 S16 Zn8 -","8","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0626","0.0512","","","0.1135","0.1186","","","","","","1.144","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200613","6.206","0.002","14.602","0.005","42.099","0.013","90","","90","","90","","3815","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-O-TOSYL 2,4-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C144 H160 O80 S8 -","8","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.2079","0.0749","","","0.1408","0.1852","","","","","","1.001","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200622","8.553","0.002","8.713","0.003","22.141","0.002","90","","90","","90","","1650","0.7","30","","10","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.5166","","","0.0668","0.035","","","","0.0422","","","","","","1.4058","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200623","8.5862","0.0001","8.7421","0.0001","22.2501","0.0002","90","","90","","90","","1670.12","0.03","30","","30","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0421","0.0202","","","","0.0228","","","","","","1.659","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200624","8.5889","0.0001","8.7603","0.0001","22.2425","0.0003","90","","90","","90","","1673.56","0.04","50","","50","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0577","0.027","","","","0.0282","","","","","","2.1592","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200625","8.5921","0.0001","8.7611","0.0001","22.2484","0.0003","90","","90","","90","","1674.78","0.04","70","","70","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0647","0.0329","","","","0.0344","","","","","","2.0841","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200626","8.6018","0.0001","8.7828","0.0001","22.2584","0.0003","90","","90","","90","","1681.58","0.04","100","","100","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0853","0.0354","","","","0.0402","","","","","","2.2454","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200634","8.0888","0.0004","27.1707","0.0015","28.9932","0.0016","90","","90","","90","","6372.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tris(cycloheptylammonium)pentabromoplumbate(ii)","tris(cycloheptylammonium)pentabromoplumbate(II)","","- C21 H50 Br5 N3 O Pb -","- C21 H50 Br5 N3 O Pb -","- C168 H400 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1636","0.1401","","","0.2619","0.27","","","","","","1.332","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200723","6.9279","0.0004","17.4853","0.0012","16.1931","0.0011","90","","90","","90","","1961.6","0.2","200","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 N4 -","- C20 H24 Cl2 N4 -","- C80 H96 Cl8 N16 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.029","","","","","","1.3","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200734","8.999","0.005","8.614","0.005","22.506","0.013","90","","90","","90","","1744.6","1.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Co O6 P -","- C7 H7 Co O6 P -","- C56 H56 Co8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0716","0.059","","","0.1329","0.141","","","","","","1.056","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200735","9.19","0.002","8.684","0.002","22.67","0.006","90","","90","","90","","1809.2","0.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Mn O6 P -","- C7 H7 Mn O6 P -","- C56 H56 Mn8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0621","0.0404","","","0.0835","0.0895","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200736","8.95","0.003","8.558","0.003","22.461","0.007","90","","90","","90","","1720.4","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Ni O6 P -","- C7 H7 Ni O6 P -","- C56 H56 Ni8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0531","0.0446","","","0.1198","0.1259","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200737","10.346","0.001","8.119","0.001","17.883","0.002","90","","90","","90","","1502.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-diflourophenylthioamide","2,6-diflourophenylthioamide","","- C7 H5 F2 N S -","- C7 H5 F2 N S -","- C56 H40 F16 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0939","0.042","","","0.1012","0.1282","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200770","8.5125","0.0008","11.569","0.0008","25.143","0.002","90","","90","","90","","2476.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O7 U -","- C10 H10 O7 U -","- C80 H80 O56 U8 -","8","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0762","0.055","","","0.1324","0.1417","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200783","14.6663","0.0007","8.6866","0.0004","25.9906","0.0012","90","","90","","90","","3311.2","0.3","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0966","0.0521","","","0.11","0.1339","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200859","8.7321","0.0003","14.2816","0.0004","16.6582","0.0005","90","","90","","90","","2077.42","0.11","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Br2 O2 S -","- C8 H8 Br2 O2 S -","- C64 H64 Br16 O16 S8 -","8","1","","Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Towards crystal engineering of solid-state polymerization in dibromothiophenes","Journal of Materials Chemistry","2009","19","29","5167","","10.1039/b822997j","","","1.54178","CuKα","","0.0234","0.0226","","","0.0628","0.0638","","","","","","1.186","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200860","7.3511","0.0002","12.1366","0.0004","21.9075","0.0007","90","","90","","90","","1954.53","0.1","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br2 O3 S -","- C8 H6 Br2 O3 S -","- C64 H48 Br16 O24 S8 -","8","1","","Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Towards crystal engineering of solid-state polymerization in dibromothiophenes","Journal of Materials Chemistry","2009","19","29","5167","","10.1039/b822997j","","","1.54178","CuKα","","0.0485","0.0471","","","0.163","0.1644","","","","","","1.182","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200861","9.3142","0.0003","11.3466","0.0004","19.4858","0.0007","90","","90","","90","","2059.35","0.12","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Br2 O2 S2 -","- C8 H6 Br2 O2 S2 -","- C64 H48 Br16 O16 S16 -","8","1","","Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Towards crystal engineering of solid-state polymerization in dibromothiophenes","Journal of Materials Chemistry","2009","19","29","5167","","10.1039/b822997j","","","1.54178","CuKα","","0.0505","0.0492","","","0.1409","0.1418","","","","","","1.229","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200864","8.8329","0.0005","13.1354","0.0008","16.0027","0.0009","90","","90","","90","","1856.69","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","HG864A 2-(3-methoxyphenyl)-5-methyl-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0567","0.041","","","0.1158","0.1261","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200868","9.3167","0.0003","20.4346","0.0011","25.3335","0.0015","90","","90","","90","","4823.1","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 -","- C13 H15 Cl N2 -","- C208 H240 Cl16 N32 -","16","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.11","0.055","","","0.128","0.156","","","","","","1.04","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200870","13.0426","0.0005","7.8693","0.0002","22.6276","0.0009","90","","90","","90","","2322.41","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl N5 -","- C11 H10 Cl N5 -","- C88 H80 Cl8 N40 -","8","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.067","0.051","","","0.096","0.105","","","","","","1.08","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200970","13.559","0.005","11.37","0.005","19.264","0.008","90","","90","","90","","2970","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.1456","0.0863","","","0.1888","0.2157","","","","","","1.173","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200971","13.626","0.004","11.655","0.004","18.899","0.007","90","","90","","90","","3001.4","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.3009","0.0942","","","0.1435","0.2054","","","","","","0.993","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200972","13.563","0.003","11.474","0.004","19.182","0.007","90","","90","","90","","2985.1","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.2846","0.0963","","","0.1665","0.2403","","","","","","0.933","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200973","13.55","0.005","11.403","0.005","19.242","0.008","90","","90","","90","","2973","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.2211","0.0698","","","0.1207","0.1871","","","","","","1.257","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200974","13.704","0.004","11.701","0.006","18.657","0.008","90","","90","","90","","2992","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.2685","0.1056","","","0.2148","0.2896","","","","","","0.994","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200975","13.561","0.004","11.5","0.006","19.157","0.008","90","","90","","90","","2988","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.1949","0.0971","","","0.2225","0.2814","","","","","","1.02","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200976","13.547","0.004","11.406","0.004","19.256","0.007","90","","90","","90","","2975.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.1406","0.0736","","","0.1007","0.1111","","","","","","0.901","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200977","13.552","0.004","11.396","0.005","19.273","0.008","90","","90","","90","","2976","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.165","0.086","","","0.1843","0.2225","","","","","","1.066","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201010","5.8209","0.0004","10.0529","0.0008","24.9876","0.0019","90","","90","","90","","1462.2","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O10 S2 Sc2 -","- C10 H10 O10 S2 Sc2 -","- C40 H40 O40 S8 Sc8 -","4","0.5","","Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles","3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts","Journal of Materials Chemistry","2009","19","36","6504","","10.1039/b902954k","","","0.71073","MoKα","","0.1051","0.0571","","","0.093","0.1035","","","","","","1.145","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201125","16.244","0.005","8.813","0.005","16.888","0.005","90","","90","","90","","2417.7","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C104 H104 N8 O24 -","8","1","","Biju, Silvanose; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.","3-Phenyl-4-acyl-5-isoxazolonate complex of Tb3+ doped into poly-β-hydroxybutyrate matrix as a promising light-conversion molecular device","Journal of Materials Chemistry","2009","19","29","5179","","10.1039/b905304b","","","0.71073","MoKα","","0.0864","0.0427","","","0.1112","0.1269","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201171","18.212","0.004","20.863","0.004","29.126","0.006","90","","90","","90","","11067","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H56 I4 N12 O2 -","- C54 H56 I4 N12 O2 -","- C432 H448 I32 N96 O16 -","8","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.0894","0.0615","","","0.1354","0.1516","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201202","12.5337","0.0001","11.6484","0.0001","17.1447","0.0002","90","","90","","90","","2503.08","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 I N2 -","- C12 H15 I N2 -","- C96 H120 I8 N16 -","8","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0285","0.0192","","","0.0474","0.0489","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201204","20.7565","0.0003","14.049","0.0002","23.2945","0.0004","90","","90","","90","","6792.86","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 I N2 -","- C16 H23 I N2 -","- C256 H368 I16 N32 -","16","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.1011","0.0572","","","0.1349","0.1501","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201275","14.8028","0.0004","12.4245","0.0004","18.3359","0.0005","90","","90","","90","","3372.29","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Cs2 O16 -","- C28 H32 Cs2 O16 -","- C112 H128 Cs8 O64 -","4","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0879","0.045","","","0.0727","0.0805","","","","","","1.04","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201451","10.951","0.002","19.019","0.004","26.714","0.005","90","","90","","90","","5563.9","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N5 O10 Zn -","- C28 H28 N5 O10 Zn -","- C224 H224 N40 O80 Zn8 -","8","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0671","0.0541","","","0.1221","0.129","","","","","","1.129","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201504","13.6117","0.0018","14.957","0.002","18.604","0.003","90","","90","","90","","3787.6","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N4 O5 Zn -","- C22 H14 N4 O5 Zn -","- C176 H112 N32 O40 Zn8 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0827","0.0381","","","0.0838","0.1022","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201547","7.786","0.003","10.464","0.004","31.574","0.01","90","","90","","90","","2572.4","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Ba N2 O4 -","- C14 H8 Ba N2 O4 -","- C112 H64 Ba8 N16 O32 -","8","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1416","0.1096","","","0.2672","0.2815","","","","","","1.048","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201569","16.442","0.002","17.697","0.003","27.528","0.004","90","","90","","90","","8010","2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N2 O10 Zn -","- C46 H40 N2 O10 Zn -","- C368 H320 N16 O80 Zn8 -","8","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.0576","0.0433","","","0.1077","0.1164","","","","","","1.104","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201613","16.16","0.005","13.073","0.004","18.365","0.005","90","","90","","90","","3880","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 Mn N4 O7 -","- C23 H14 Mn N4 O7 -","- C184 H112 Mn8 N32 O56 -","8","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0647","0.0406","","","0.0961","0.1076","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201643","13.9108","0.0005","7.1936","0.0003","15.6965","0.0006","90","","90","","90","","1570.73","0.11","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Methoxysalicylaldoxime","3-Methoxysalicylaldoxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.081","0.0296","","0.1256","0.0746","0.1256","","","","","","1.1328","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201662","13.0765","0.0005","7.0982","0.0004","15.2455","0.0005","90","","90","","90","","1415.08","0.11","298","","298","","","","1400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0857","0.0464","","0.1526","0.1218","0.1526","","","","","","0.9357","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201663","12.5814","0.0004","7.0265","0.0004","15.0188","0.0004","90","","90","","90","","1327.71","0.09","298","","298","","","","2700000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0679","0.0408","","0.1193","0.0969","0.1193","","","","","","0.9038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201664","12.3113","0.0005","6.98","0.0004","14.8947","0.0005","90","","90","","90","","1279.94","0.1","298","","298","","","","4400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0863","0.0488","","0.1619","0.1252","0.1619","","","","","","0.8651","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201665","12.134","0.0013","6.9421","0.0011","14.8065","0.0013","90","","90","","90","","1247.2","0.3","298","","298","","","","5300000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0696","0.0476","","0.1436","0.123","0.1436","","","","","","0.8503","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201666","12.0702","0.0005","6.92","0.0005","14.7703","0.0005","90","","90","","90","","1233.7","0.11","298","","298","","","","6000000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0717","0.0417","","0.1113","0.089","0.1113","","","","","","0.9001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201673","13.39752","0.00015","13.43165","0.00008","8.49767","0.00004","90","","90","","90","","1529.16","0.02","296","","296","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","bis(3-acetyl-2,4-pentandionato-O2,O3)palladium(II)","","- C14 H18 O6 Pd -","- C14 H18 O6 Pd -","- C56 H72 O24 Pd4 -","4","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","3.8205","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201690","8.7902","0.0004","8.8646","0.0004","16.0524","0.0008","90","","90","","90","","1250.83","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0611","0.0594","","","0.1916","0.1939","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201693","7.2691","0.0005","14.0308","0.0012","26.229","0.002","90","","90","","90","","2675.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.1045","0.0551","","","0.1045","0.1231","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201730","6.7077","0.0013","11.695","0.002","23.855","0.006","90","","90","","90","","1871.3","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Br Hg N6 -","- C5 H3 Br Hg N6 -","- C40 H24 Br8 Hg8 N48 -","8","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.7107","MoKα","","0.0833","0.0556","","","0.1342","0.1514","","","","","","1.007","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201833","11.4412","0.0004","9.386","0.001","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0772","0.0607","","0.0519","0.0506","0.0506","","","","","","1.0708","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201840","10.3715","0.0002","15.4649","0.0002","27.5066","0.0004","90","","90","","90","","4411.9","0.12","90","0.2","90","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C200 H264 Si8 -","4","0.5","","Chen, Jihua; Subramanian, Sankar; Parkin, Sean R.; Siegler, Maxime; Gallup, Kaitlin; Haughn, Chelsea; Martin, David C.; Anthony, John E.","The influence of side chains on the structures and properties of functionalized pentacenes","Journal of Materials Chemistry","2008","18","17","1961","","10.1039/b717082c","","","1.54178","CuKα","","0.0429","0.036","","","0.0931","0.0985","","","","","","1.037","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201851","19.0501","0.001","14.5809","0.0008","19.5329","0.001","90","","90","","90","","5425.6","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C232 H232 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.063","0.034","","","0.072","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201859","18.801","0.0009","14.4703","0.0008","20.738","0.0011","90","","90","","90","","5641.9","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C240 H248 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.06","0.035","","","0.074","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201872","13.681","0.001","17.438","0.0013","10.53","0.0006","90","","90","","90","","2512.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4,5-ethylenedioxy-4'-methylthiotetrathiafulvalene'","4,5-ethylenedioxy-4'-methylthiotetrathiafulvalene'","","- C9 H8 O2 S5 -","- C9 H8 O2 S5 -","- C72 H64 O16 S40 -","8","1","","Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya","Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives","Journal of Materials Chemistry","2008","18","18","2131","","10.1039/b717621j","","","0.71069","MoKα","","0.0772","0.0489","","","0.1304","0.1441","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201930","8.084","0.003","15.976","0.005","32.417","0.007","90","","90","","90","","4187","2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Cl -","- C28 H23 Cl -","- C224 H184 Cl8 -","8","1","","Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S.","Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations","Physical Chemistry Chemical Physics","2008","10","19","2686","2694","10.1039/b800031j","","","0.71073","MoKα","","0.1278","0.0644","","","0.1571","0.1881","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201943","14.6809","0.0016","7.4146","0.0009","24.35","0.003","90","","90","","90","","2650.6","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0621","0.0403","","","0.1051","0.116","","","","","","1.074","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201985","10.5106","0.0013","16.035","0.002","25.247","0.003","90","","90","","90","","4255.1","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","sfzsac","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0655","0.0449","","","0.1076","0.1159","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202020","18.264","0.005","20.537","0.005","24.233","0.006","90","","90","","90","","9090","4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 N6 -","- C25 H26 N6 -","- C400 H416 N96 -","16","2","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.7107","MoKα","","0.0731","0.0651","","","0.1321","0.1363","","","","","","1.062","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202097","8.76","0.0018","13.344","0.003","13.754","0.003","90","","90","","90","","1607.8","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H14 B2 Cl6 N2 Si2 -","- C4 H14 B2 Cl6 N2 Si2 -","- C16 H56 B8 Cl24 N8 Si8 -","4","0.5","","Müller, Utz; Weinmann, Markus; Jansen, Martin","Cl2MeSi‒NH‒BCl2 and ClMe2Si‒NH‒BCl2: novel processable single source precursors of amorphous Si/C/B/N ceramics","Journal of Materials Chemistry","2008","18","31","3671","","10.1039/b803899f","","","0.71073","MoKα","","0.0447","0.0436","","","0.1037","0.1072","","","","","","1.276","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202108","12.5217","0.0003","8.1036","0.0002","16.9859","0.0004","90","","90","","90","","1723.57","0.07","100","2","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","triaminoguanidinium dinitramide","triaminoguanidinium dinitramide","","- C H9 N9 O4 -","- C H9 N9 O4 -","- C8 H72 N72 O32 -","8","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound","Physical Chemistry Chemical Physics","2008","10","29","4340","4346","10.1039/b804504f","","","0.71073","MoKα","","0.0455","0.0306","","","0.0775","0.0891","","","","","","1.017","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202237","10.9047","0.0002","10.0696","0.0002","24.2827","0.0006","90","","90","","90","","2666.39","0.1","296","2","296","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C120 H96 N16 O8 S8 -","8","1","","Yella, Ramesh; Ghosh, Harisadhan; Patel, Bhisma K.","It is “2-imino-4-thiazolidinones” and not thiohydantoins as the reaction product of 1,3-disubstituted thioureas and chloroacetylchloride","Green Chemistry","2008","10","12","1307","","10.1039/b807775d","","","0.71073","MoKα","","0.0566","0.0344","","","0.086","0.093","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202238","12.9","0.004","10.035","0.004","24.251","0.008","90","","90","","90","","3139.3","1.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Cl2 N2 O S -","- C15 H10 Cl2 N2 O S -","- C120 H80 Cl16 N16 O8 S8 -","8","1","","Yella, Ramesh; Ghosh, Harisadhan; Patel, Bhisma K.","It is “2-imino-4-thiazolidinones” and not thiohydantoins as the reaction product of 1,3-disubstituted thioureas and chloroacetylchloride","Green Chemistry","2008","10","12","1307","","10.1039/b807775d","","","0.71073","MoKα","","0.1194","0.0576","","","0.1633","0.1953","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202246","13.293","0.0004","16.1758","0.0005","18.5027","0.0006","90","","90","","90","","3978.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C117.6 H176.8 Cl15.6 N10.8 O42.8 Zn8 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0656","0.0471","","","0.124","0.1321","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202248","16.3499","0.0013","15.4909","0.0013","42.062","0.003","90","","90","","90","","10653.2","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H70 O18 S5 Zn3 -","- C41 H69 O18 S5 Zn3 -","- C328 H552 O144 S40 Zn24 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.8459","","","0.1216","0.0707","","","0.1879","0.2197","","","","","","1.037","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202287","19.196","0.004","16.576","0.003","36.916","0.007","90","","90","","90","","11746","4","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H82 Br N O16 -","- C61 H82 Br N O16 -","- C488 H656 Br8 N8 O128 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1357","0.0818","","","0.1715","0.2018","","","","","","1.047","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202289","12.5436","0.0014","7.0918","0.0008","15.5908","0.0017","90","","90","","90","","1386.9","0.3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((PymPO)Zn(H2O))","","","- C8 H12 N4 O8 P2 Zn -","- C8 H12 N4 O8 P2 Zn -","- C32 H48 N16 O32 P8 Zn4 -","4","0.5","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.0572","0.034","","","0.0743","0.0847","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202292","14.0102","0.0015","8.088","0.0009","15.8727","0.0017","90","","90","","90","","1798.6","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N2 O2 S2 -","- C5 H14 N2 O2 S2 -","- C40 H112 N16 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.7107","MoKα","","0.028","0.028","","","0.067","0.068","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202296","14.4181","0.0004","8.1107","0.0002","19.0611","0.0005","90","","90","","90","","2229.02","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H16 N Na O5 S2 -","- C5 H16 N Na O5 S2 -","- C40 H128 N8 Na8 O40 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.039","0.029","","","0.064","0.068","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202299","16.0465","0.0004","14.2446","0.0003","8.4274","0.0002","90","","90","","90","","1926.3","0.08","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cesium bis(ethanol)dithiocarbamate","","- C5 H10 Cs N O2 S2 -","- C5 H10 Cs N O2 S2 -","- C40 H80 Cs8 N8 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.023","0.018","","","0.042","0.044","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202324","16.546","0.004","24.142","0.005","25.043","0.006","90","","90","","90","","10004","4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H44 Cd N14 S2 -","- C44 H44 Cd N14 S2 -","- C352 H352 Cd8 N112 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1387","0.0627","","","0.1776","0.2453","","","","","","0.986","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202326","24.263","0.005","16.387","0.004","24.45","0.005","90","","90","","90","","9721","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cu N14 O2 S2 -","- C44 H44 Cu N14 O2 S2 -","- C352 H352 Cu8 N112 O16 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1126","0.0592","","","0.1674","0.2082","","","","","","1.035","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202380","7.7403","0.0005","9.8733","0.0007","18.1285","0.0013","90","","90","","90","","1385.42","0.17","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0771","0.0417","","","0.0923","0.1139","","","","","","1.009","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202381","7.4842","0.0003","10.0656","0.0004","17.6698","0.0007","90","","90","","90","","1331.12","0.09","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenylhexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0484","0.0432","","","0.1141","0.1187","","","","","","1.047","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202382","7.883","0.002","9.67","0.003","18.529","0.005","90","","90","","90","","1412.4","0.7","370","","370","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.1142","0.054","","","0.1712","0.2354","","","","","","1.022","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202383","7.7439","0.0005","9.8691","0.0007","18.1365","0.0012","90","","90","","90","","1386.09","0.16","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0816","0.0398","","","0.09","0.113","","","","","","0.994","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202388","11.109","0.002","9.2272","0.0018","21.327","0.004","90","","90","","90","","2186.1","0.7","200","2","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","N,N-Bis(1H-tetrazol-5-yl)amine","N,N-Bis(1H-tetrazol-5-yl)amine","","- C2 H3 N9 -","- C2 H3 N9 -","- C32 H48 N144 -","16","2","","Klapötke, Thomas M.; Mayer, Peter; Stierstorfer, Jörg; Weigand, Jan J.","Bistetrazolylamines—synthesis and characterization","Journal of Materials Chemistry","2008","18","43","5248","","10.1039/b811273h","","","0.71073","MoKα","","0.0645","0.0396","","","0.091","0.1022","","","","","","1.064","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202435","19.275","0.003","7.3987","0.0011","24.409","0.004","90","","90","","90","","3481","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd1.5 Cl5 N2 -","- C12 H16 Cd1.5 Cl5 N2 -","- C96 H128 Cd12 Cl40 N16 -","8","1","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0317","0.0217","","","0.0493","0.0547","","","","","","1.102","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202445","14.3","0.003","13.041","0.003","18.23","0.004","90","","90","","90","","3399.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cd3 N4 O11 -","- C10 H8 Cd3 N4 O11 -","- C80 H64 Cd24 N32 O88 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0471","0.0382","","","0.0776","0.0806","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202506","15.87","0.02","20.7","0.02","24.37","0.03","90","","90","","90","","8006","16","93.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H43 Cl3 Ir N3 -","- C49 H43 Cl3 Ir N3 -","- C392 H344 Cl24 Ir8 N24 -","8","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0218","","","","0.0479","","","","","","0.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202527","5.428","0.0019","5.4261","0.0018","16.6564","0.0017","90","","90","","90","","490.6","0.2","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bi2NbO5F","","- Bi2 Nb O6 -","- Bi2 Nb O6 -","- Bi8 Nb4 O24 -","4","0.5","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202537","16.19","0.04","7.739","0.01","23.46","0.03","90","","90","","90","","2939","9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0562","0.0372","","","0.0919","0.1001","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202664","9.1677","0.0015","8.7335","0.0014","27.276","0.005","90","","90","","90","","2183.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(cyclohexylammonium)tetraiodoplumbate(ii)","bis(cyclohexylammonium)tetraiodoplumbate(II)","","- C12 H28 I4 N2 Pb -","- C12 H28 I4 N2 Pb -","- C48 H112 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0511","0.0315","","","0.069","0.0749","","","","","","1.052","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202724","24.9553","0.0011","8.0474","0.0003","30.679","0.0013","90","","90","","90","","6161.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","poly((dimethylformamide)tris(2- aminomethylbenzoato)lanthanum(iii)) DMF solvate","poly[(dimethylformamide)tris(2-aminomethylbenzoato)lanthanum(III)] DMF solvate","","- C30 H38 La N5 O8 -","- C30 H38 La N5 O8 -","- C240 H304 La8 N40 O64 -","8","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.149","0.1324","","","0.2328","0.2389","","","","","","1.468","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202731","16.992","0.003","15.164","0.003","17.489","0.003","90","","90","","90","","4506.3","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O7 S -","- C20 H20 Co N6 O7 S -","- C160 H160 Co8 N48 O56 S8 -","8","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1085","0.0692","","","0.1518","0.1715","","","","","","1.113","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202796","8.1288","0.0006","8.0393","0.0005","45.532","0.003","90","","90","","90","","2975.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C112 H144 Cl16 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0774","0.0434","","","0.0992","0.1254","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202802","10.7907","0.0004","8.9839","0.0004","23.175","0.0008","90","","90","","90","","2246.64","0.15","104","2","104","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H4 F8 N2 -","- C12 H4 F8 N2 -","- C96 H32 F64 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.04","0.0273","","","0.0802","0.0823","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202814","12.277","0.002","16.356","0.002","23.341","0.004","90","","90","","90","","4686.9","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl O3 P2 -","- C24 H25 Cl O3 P2 -","- C192 H200 Cl8 O24 P16 -","8","1","","Mátyás Czugler; Tamás Körtvélyesi; László Fábián; Melinda Sipos; György Keglevich","Intra- and intermolecular interactions and water pincer in the crystal structure of a 3-P(O)Ph2 substituted 1,2,3,6-tetrahydrophosphinine oxide hydrate","CrystEngComm","2007","9","7","561","","10.1039/b702137b","","","0.7107","MoKα","","0.0466","0.0368","","","0.0979","0.1021","","","","","","1.066","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202820","14.118","0.003","16.665","0.003","25.163","0.005","90","","90","","90","","5920","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N6 O6 S -","- C28 H32 N6 O6 S -","- C224 H256 N48 O48 S8 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1799","0.0532","","","0.1272","0.1567","","","","","","0.797","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202821","11.659","0.002","12.283","0.003","21.669","0.004","90","","90","","90","","3103.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl N3 O5 -","- C14 H16 Cl N3 O5 -","- C112 H128 Cl8 N24 O40 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1432","0.0567","","","0.1642","0.1922","","","","","","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202858","7.53","0.0015","12.173","0.002","40.996","0.008","90","","90","","90","","3757.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-3, 4-dicyanophenoxy-4'-dimethylaminoazobenzene(CPMAB)","4-3, 4-dicyanophenoxy-4'-dimethylaminoazobenzene(CPMAB)","","- C22 H17 N5 O -","- C22 H17 N5 O -","- C176 H136 N40 O8 -","8","1","","Hu, Junping; Li, Yingfeng; Ji, Zhuoyu; Jiang, Guiyuan; Yang, Lianming; Hu, Wenping; Gao, Hongjun; Jiang, Lei; Wen, Yongqiang; Song, Yanlin; Zhu, Daoben","A non-planar organic molecule with non-volatile electrical bistability for nano-scale data storage","Journal of Materials Chemistry","2007","17","33","3530","","10.1039/b703332j","","","0.71073","MoKα","","0.0939","0.0476","","","0.1148","0.1331","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202868","12.8373","0.0014","11.8355","0.0013","16.975","0.002","90","","90","","90","","2579.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.2955","0.0523","","","0.0918","0.1452","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202895","20.07","0.004","8.8346","0.0019","22.339","0.005","90","","90","","90","","3960.9","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag N3 Nd O7.5 -","- C18 H11 Ag N3 Nd O7.5 -","- C144 H88 Ag8 N24 Nd8 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0599","0.0338","","","0.0721","0.0818","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202896","19.954","0.002","8.8187","0.0009","22.344","0.002","90","","90","","90","","3931.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag Eu N3 O7.5 -","- C18 H11 Ag Eu N3 O7.5 -","- C144 H88 Ag8 Eu8 N24 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0553","0.0584","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202944","20.268","0.003","10.0519","0.0013","22.389","0.003","90","","90","","90","","4561.4","1.1","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C62 H52 -","- C62 H52 -","- C248 H208 -","4","0.5","","Kim, Soo-Kang; Park, Young-Il; Kang, In-Nam; Park, Jong-Wook","New deep-blue emitting materials based on fully substituted ethylene derivatives","Journal of Materials Chemistry","2007","17","44","4670","","10.1039/b706606f","","","0.71073","MoKα","","0.3411","0.1204","","","0.2709","0.4222","","","","","","0.972","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203055","22.3238","0.0011","10.0035","0.0005","38.1841","0.0018","90","","90","","90","","8527.1","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H106 Er2 N4 O12 -","- C96 H106 Er2 N4 O12 -","- C384 H424 Er8 N16 O48 -","4","0.5","","Song, Limei; Liu, Xinhou; Zhen, Zhen; Chen, Cong; Zhang, Daming","Solution-processable erbium‒ytterbium complex for potential planar optical amplifier application","Journal of Materials Chemistry","2007","17","43","4586","","10.1039/b709237g","","","0.7107","MoKα","","0.0572","0.0509","","","0.0826","0.0845","","","","","","1.282","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203056","14.745","0.002","5.7176","0.0005","20.659","0.003","90","","90","","90","","1741.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H8 O S -","- C9 H8 O S -","- C72 H64 O8 S8 -","8","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1854","0.0585","","","0.1081","0.14","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203147","14.354","0.001","11.207","0.001","17.548","0.001","90","","90","","90","","2822.9","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 I O P -","- C13 H16 I O P -","- C104 H128 I8 O8 P8 -","8","1","","Adkine, Prashant; Cantat, Thibault; Deschamps, Eliane; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal; Geoffroy, Michel","EPR and DFT studies of the one-electron reduction product of phospholium cations.","Physical chemistry chemical physics : PCCP","2006","8","7","862","868","10.1039/b513736p","","","0.71069","MoKα","","0.0641","0.0459","","","0.1314","0.1421","","","","","","1.051","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203200","12.525","0.003","12.772","0.003","26.458","0.005","90","","90","","90","","4232.5","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C192 H208 N16 O32 -","8","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.186","0.0664","","","0.163","0.1846","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203223","12.924","0.003","11.081","0.002","23.689","0.005","90","","90","","90","","3392.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0373","0.0332","","","0.0849","0.088","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203224","10.728","0.003","8.023","0.002","39.71","0.011","90","","90","","90","","3417.9","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1118","0.0517","","","0.1017","0.1348","","","","","","1.003","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203228","13.233","0.004","11.129","0.003","23.205","0.007","90","","90","","90","","3417.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C176 H160 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0443","0.0375","","","0.0902","0.0947","","","","","","1.031","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203234","18.2449","0.0009","16.2679","0.0008","18.9904","0.001","90","","90","","90","","5636.5","0.5","120","","120","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Ag N5 O5 S2 -","- C28 H28 Ag N5 O5 S2 -","- C224 H224 Ag8 N40 O40 S16 -","8","1","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.0621","0.0338","","0.0779","0.0752","0.0752","","","","","","0.9004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203377","6.827","0.001","9.517","0.002","16.406","0.003","90","","90","","90","","1065.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0684","0.0368","","","0.074","0.0851","","","","","","1.092","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203384","17.2769","0.0013","10.7994","0.0008","17.8486","0.0014","90","","90","","90","","3330.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl2 Cu N5 O -","- C13 H18 Cl2 Cu N5 O -","- C104 H144 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0517","0.0488","","","0.1126","0.1137","","","","","","1.373","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203385","14.9568","0.0012","9.9809","0.0008","17.3231","0.0014","90","","90","","90","","2586","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Cl2 Cu N5 O -","- C9 H10 Cl2 Cu N5 O -","- C72 H80 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0269","0.023","","","0.0626","0.0656","","","","","","1.077","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203443","8.763","0.0002","10.924","0.0002","20.1019","0.0005","90","","90","","90","","1924.29","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7a-Dimethylamino-5,6,7,7a-tetrahydro-4H-benzofuran-2-one","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C80 H120 N8 O16 -","8","1","","Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.","A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones","Green Chemistry","2006","8","12","1042","","10.1039/b606042k","","","0.71073","MoKα","","0.0935","0.0496","","","0.1182","0.1495","","","","","","1.083","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203542","17.3027","0.0002","14.0365","0.0002","22.2494","0.0003","90","","90","","90","","5403.7","0.12","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O12 Pd S4 -","- C56 H52 N4 O12 Pd S4 -","- C224 H208 N16 O48 Pd4 S16 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.0648","0.0426","","","0.1133","0.1272","","","","","","1.025","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203549","13.7712","0.0012","12.4593","0.0011","14.3461","0.0013","90","","90","","90","","2461.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Saccharin, 2-aminopyridine","saccharin, 2-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0448","0.0394","","","0.0961","0.099","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203561","14.3848","0.0002","16.214","0.0002","34.3029","0.0005","90","","90","","90","","8000.64","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nitrato-bis(5-amino-3-(pyrid-2-yl)pyrazole)copper(ii) nitrate hydrate (0.5/0.13) (5.xH!2$O; x = 0.13)","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) nitrate hydrate (0.5/0.13) (5.xH~2~O; x = 0.13)","","- C16 H16.26 Cu N10 O6.13 -","- C16 H16 Cu N10 O6.13 -","- C256 H256 Cu16 N160 O98.08 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.1364","0.0576","","","0.1373","0.1661","","","","","","1.01","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203562","14.168","0.0001","16.4064","0.0002","35.0658","0.0004","90","","90","","90","","8150.9","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)","","- C16 H16.58 N10 O6.29 Zn -","- C16 H16 N10 O6.29 Zn -","- C256 H256 N160 O100.64 Zn16 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0713","0.0476","","","0.1224","0.134","","","","","","1.054","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203567","10.183","0.005","12.384","0.007","18.294","0.008","90","","90","","90","","2307","2","150","","150","0.2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","","- C7 H11 F3 N2 O3 S -","- C7 H11 F3 N2 O3 S -","- C56 H88 F24 N16 O24 S8 -","8","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.0738","0.0519","","","0.1249","0.1341","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203597","9.088","0.002","10.425","0.004","25.005","0.007","90","","90","","90","","2369","1.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)","","- C15 H13 N2 O -","- C15 H13 N2 O -","- C120 H104 N16 O8 -","8","1","","Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.","Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration","CrystEngComm","2006","8","10","746","","10.1039/b610317k","","","1.54184","CuKα","","0.1045","0.0603","","","0.1488","0.1617","","","","","","0.954","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203598","15.1813","0.0006","17.6908","0.0007","35.4575","0.0014","90","","90","","90","","9522.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η^5^-cyclopentadienyl(pentafluorophenyl)(triphenylphosphane)palladium(II)","","- C29 H20 F5 P Pd -","- C29 H20 F5 P Pd -","- C464 H320 F80 P16 Pd16 -","16","2","","Althoff, Gerhard; Ruiz, José; Rodríguez, Venancio; López, Gregorio; Pérez, José; Janiak, Christoph","Can a single C‒H⋯F‒C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D ^1^H-^19^F CP/MAS NMR","CrystEngComm","2006","8","9","662","665","10.1039/b610718b","","","0.71073","MoKα","","0.0389","0.035","","","0.0896","0.0931","","","","","","0.821","","","","has coordinates","218381","2020-10-21","18:00:00",""
"7203616","12.75","0.0011","16.1881","0.0014","37.508","0.003","90","","90","","90","","7741.6","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C304 H184 Br32 Cl24 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1117","0.0575","","","0.1149","0.1313","","","","","","1.032","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203617","12.608","0.0009","16.2385","0.0013","37.085","0.003","90","","90","","90","","7592.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C304 H184 Br16 Cl40 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1023","0.0469","","","0.0844","0.0993","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203618","12.741","0.003","15.79","0.003","40.525","0.008","90","","90","","90","","8153","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C304 H184 Br16 Cl24 Hg8 I16 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0712","0.0375","","","0.0794","0.0854","","","","","","1.07","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203653","7.385","0.0002","15.931","0.0005","25.394","0.0011","90","","90","","90","","2987.62","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C104 H152 N24 O32 S8 -","8","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.1248","0.0559","","","0.1062","0.1283","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203657","54.44","0.03","10.652","0.004","10.105","0.003","90","","90","","90","","5860","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C208 H272 N48 O48 S16 -","16","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.099","0.0628","","","0.1528","0.1685","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203685","7.1061","0.0008","5.9558","0.0007","34.129","0.004","90","","90","","90","","1444.4","0.3","160","2","160","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-bis(4'-carbomethoxyphenyl)ethyne","1,2-bis(4'-carbomethoxyphenyl)ethyne","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","0.5","","Tolulope M. Fasina; Jonathan C. Collings; Jacqueline M. Burke; Andrei S. Batsanov; Richard M. Ward; David Albesa-Jové; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Andrew J. Scott; William Clegg; Stephen W. Watt; Christopher Viney; Todd B. Marder","Synthesis, optical properties, crystal structures and phase behaviour of symmetric, conjugated ethynylarene-based rigid rods with terminal carboxylate groups","Journal of Materials Chemistry","2005","15","6","690","","10.1039/b413514h","","","0.71073","MoKα","","0.0512","0.0405","","","0.1065","0.112","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203688","11.254","0.0002","11.9432","0.0002","23.8124","0.0007","90","","90","","90","","3200.6","0.12","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N2 O3 -","- C16 H23 N2 O3 -","- C128 H184 N16 O24 -","8","1","","Christophe Stroh; Raymond Ziessel; Gabriele Raudaschl-Sieber; Frank H. Köhler; Philippe Turek","Intramolecular exchange interactions in non-aromatic bis-nitronyl-nitroxides","Journal of Materials Chemistry","2005","15","8","850","","10.1039/b414284e","","","0.71073","Mo-Kα","","0.089","0.037","","0.51","","0.058","","","8.845","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203795","13.226","0.003","9.956","0.002","13.349","0.003","90","","90","","90","","1757.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H15 N6 O P -","- C3 H15 N6 O P -","- C24 H120 N48 O8 P8 -","8","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0378","0.0345","","","0.0931","0.0954","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203862","18.062","0.004","19.795","0.009","9.931","0.002","90","","90","","90","","3550.7","1.9","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-bromo-3-diphenylmethylene-2,3-dihydro-1,4-naphthoquinone","","","- C23 H15 Br O2 -","- C23 H15 Br O2 -","- C184 H120 Br8 O16 -","8","1","","Oshima, Takumi; Tamada, Kazushi; Tamura, Hatsue; Nagai, Toshikazu","Kinetic study of thermolysis of diarylhomonaphthoquinones. Endo/exo substituent and solvent effects","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","135","","10.1039/a905223b","","","0.7107","MoKα","","0.26","0.063","","","0.11","0.17","","","","","","0.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203871","8.4201","0.0017","16.681","0.003","21.656","0.004","90","","90","","90","","3041.7","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N2 -","- C16 H24 N2 -","- C128 H192 N16 -","8","1","","Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald","Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","353","","10.1039/a905603c","","","0.71073","MoKα","","0.0645","0.0366","","","0.093","0.1043","","","","","","1.281","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203888","12.331","0.002","13.205","0.005","14.693","0.004","90","","90","","90","","2392.5","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H11 N5 O8 -","- C7 H11 N5 O8 -","- C56 H88 N40 O64 -","8","1","","Blackburn, G. Michael; Beadham, Ian G.; Adams, Harry; Hutchinson, Alistair P.; Nicklin, Stephen","Synthesis of haptens and their protein conjugates for immunological determination of nitrate esters and nitramines","Journal of the Chemical Society, Perkin Transactions 1","2000","","2","225","","10.1039/a906884h","","","0.71073","MoKα","","0.0934","0.0619","","","0.1604","0.2401","","","","","","1.579","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203942","11.198","0.004","9.393","0.002","15.277","0.004","90","","90","","90","","1606.9","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 N6 O3 -","- C6 N6 O3 -","- C48 N48 O24 -","8","1","","Barbieux-Flammang, Monique; Vandevoorde, Séverine; Flammang, Robert; Wong, Ming Wah; Bibas, Hervé; Kennard, Colin H. L.; Wentrup, Curt","Monomer, dimers and trimers of cyanogen N-oxide, NC‒CN→O. An X-ray, FVT-MS/IR and theoretical investigation","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","473","","10.1039/a908653f","","","0.71073","MoKα","","0.2762","0.0928","","","0.2057","0.3034","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204003","15.043","0.004","15.37","0.003","21.872","0.005","90","","90","","90","","5057","2","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl2 N6 Ni O9 -","- C20 H28 Cl2 N6 Ni O9 -","- C160 H224 Cl16 N48 Ni8 O72 -","8","1","","Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Ciattini, Samuele; Giorgi, Claudia; Paoletti, Piero; Valtancoli, Barbara; Secco, Fernando; Rosaria Tinè, Maria; Venturini, Marcella","Ni(II) and Co(II) complexes with a phenanthroline-containing macrocycle. Thermodynamic, structural and kinetic considerations","Physical Chemistry Chemical Physics","2000","2","21","4864","","10.1039/b004442n","","","1.54178","CuKα","","0.0705","0.0677","","","0.1902","0.1936","","","","","","1.053","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204008","16.778","0.006","14.757","0.004","5.851","0.003","90","","90","","90","","1448.7","1","293","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 N S2 -","- C7 H6 N S2 -","- C56 H48 N8 S16 -","8","1","","McManus, Gordon D.; Rawson, Jeremy M.; Feeder, Neil; Palacio, Fernando; Oliete, Patricia","Structure and magnetic properties of a sulfur‒nitrogen radical, methylbenzodithiazolyl","Journal of Materials Chemistry","2000","10","9","2001","","10.1039/b004992l","","","0.71069","MoKα","","0.0823","0.0523","","0.1315","0.1153","","","","1.029","1.108","1.108","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204036","20.206","0.004","40.405","0.004","11.888","0.003","90","","90","","90","","9706","3","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methyl-2,6-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) phenol","","- C45 H66 N8 O11 -","- C46 H58 N8 O10 -","- C368 H464 N64 O80 -","8","1","","Hase, Syuichiro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji","Phenol-substituted nitronyl nitroxide biradicals with a triplet (S = 1) ground state","Journal of Materials Chemistry","2001","11","3","756","","10.1039/b007316o","","","1.5418","CuKα","","","0.0587","","","","0.1428","","","","","","1.816","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204042","11.131","0.004","25.771","0.004","8.699","0.003","90","","90","","90","","2495.4","1.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C96 H72 Cl16 N8 O24 -","8","1","","Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D.","Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ®","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1168","","10.1039/b008081k","","","0.7107","MoKα","","","0.059","","","","0.048","","","","","","1.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204047","14.5213","0.0017","15.982","0.003","18.15","0.005","90","","90","","90","","4212.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","bis(Me3N-Tempo)Ni(dmit)2","bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)nickelate(II)","","- C30 H52 N4 Ni O2 S10 -","- C30 H52 N4 Ni O2 S10 -","- C120 H208 N16 Ni4 O8 S40 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71069","MoKα","","0.0633","0.0271","","","0.0525","0.0609","","","","","","1.023","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204048","14.646","0.003","16.012","0.004","18.126","0.005","90","","90","","90","","4250.8","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","bis(Me3N-Tempo)Pd(dmit)2","bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)palladate(II)","","- C30 H52 N4 O2 Pd S10 -","- C30 H52 N4 O2 Pd S10 -","- C120 H208 N16 O8 Pd4 S40 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.1712","0.0401","","","0.1048","0.1445","","","","","","0.968","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204094","7.4927","0.001","17.788","0.004","30.694","0.003","90","","90","","90","","4090.9","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N O S Si -","- C19 H26 Cl N O S Si -","- C152 H208 Cl8 N8 O8 S8 Si8 -","8","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0596","0.0466","","0.1364","0.1232","","","","1.046","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204120","14.609","0.001","11.607","0.001","21.02","0.001","90","","90","","90","","3564.3","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5-dibromo-4',5'-bis(2'-cyanoethylsulfanyl)- tetrathiafulvalene","","- C12 H8 Br2 N2 S6 -","- C12 H8 Br2 N2 S6 -","- C96 H64 Br16 N16 S48 -","8","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0411","0.0291","","0.0655","0.0571","","","","1.209","1.185","1.185","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204244","11.296","0.003","22.296","0.003","10.547","0.004","90","","90","","90","","2656.3","1.3","295.2","","295.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O2 S -","- C14 H17 O2 S -","- C112 H136 O16 S8 -","8","1","","Loughlin, Wendy A.; Rowen, Catherine C.; Healy, Peter C.","Investigations into the reaction of the lithium enolate of cyclohexanone and phenyl vinyl sulfoxide: A simple synthesis of a bicyclo[4.2.0]octan-1-ol","Journal of the Chemical Society, Perkin Transactions 2","2002","","2","296","","10.1039/b107705h","","","0.7107","MoKα","","0.1792","0.052","","0.046","","0.038","","","1.398","","","1.84","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204273","15.721","0.003","8.8601","0.0018","21.597","0.004","90","","90","","90","","3008.2","1","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 S5 -","- C15 H12 S5 -","- C120 H96 S40 -","8","1","","Pozo-Gonzalo, Cristina; Khan, Tahir; McDouall, Joseph J. W.; Skabara, Peter J.; Roberts, Donna M.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Neugebauer, Helmut; Cravino, Antonio; Sariciftci, N. Serdar","Synthesis and electropolymerisation of 3',4'-bis(alkylsulfanyl)terthiophenes and the significance of the fused dithiin ring in 2,5-dithienyl-3,4-ethylenedithiothiophene (DT-EDTT)","Journal of Materials Chemistry","2002","12","3","500","","10.1039/b109017h","","","0.71073","MoKα","","0.0508","0.0337","","","0.0768","0.0854","","","","","","1.022","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204274","17.5193","0.0004","13.2112","0.0008","17.8502","0.0005","90","","90","","90","","4131.4","0.3","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 O P -","- C27 H23 O P -","- C216 H184 O8 P8 -","8","1","","Naya, Shin-ichi; Nitta, Makoto","Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1017","","10.1039/b109076n","","","0.7107","MoKα","","","0.069","","","","0.141","","","","","","1.347","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204275","17.54","","17.5","","13.35","","90","","90","","90","","4097.78","","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 O P -","- C26 H21 O P -","- C208 H168 O8 P8 -","8","1","","Naya, Shin-ichi; Nitta, Makoto","Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","1017","","10.1039/b109076n","","","1.54178","CuKα","","0.0639","0.0621","","","0.1751","0.1765","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204277","11.746","0.004","11.892","0.003","20.568","0.007","90","","90","","90","","2873","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 Br2 -","- C17 H14 Br2 -","- C136 H112 Br16 -","8","1","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","1.54184","CuKα","","0.0704","0.0325","","","0.0651","0.0758","","","","","","0.837","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204359","6.0319","0.0001","10.305","0.0004","30.361","0.0012","90","","90","","90","","1887.2","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-ethynyl-8-methoxynaphthalene","","- C13 H10 O -","- C13 H10 O -","- C104 H80 O8 -","8","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.0925","0.0535","","0.1421","0.1256","","","","1.049","1.167","1.167","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204361","8.1848","0.0002","13.7072","0.0004","20.2962","0.0006","90","","90","","90","","2277.04","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(8-methoxynaphth-1-yl)but-3-yn-2-one","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Bell, Paul C.; Skranc, Wolfgang; Formosa, Xavier; O'Leary, Jane; Wallis, John D.","Interactions between alkynes and methoxy or dimethylamino groups in peri-naphthalene systems","Journal of the Chemical Society, Perkin Transactions 2","2002","","5","878","","10.1039/b201038k","","","0.71069","MoKa","","0.0521","0.0398","","0.1146","0.1033","","","","1.07","1.104","1.104","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204410","11.3431","0.0004","8.7088","0.0002","23.4287","0.0005","90","","90","","90","","2314.4","0.11","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(4'-hydroxyphenyl)-1,2,3,4-tetrahydroquinazoline","4-(1,2,3,4-tetrahydro-quinazolin-2-yl)-phenol","","- C14 H14 N2 O -","- C14 H13.6 N2 O -","- C112 H108.8 N16 O8 -","8","1","","Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L.","Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines","Green Chemistry","2002","4","3","245","","10.1039/b202729c","","","0.71073","MoKα","","0.0754","0.0479","","","0.1116","0.1231","","","","","","1.045","","","","has coordinates,has disorder","180375","2020-10-21","18:00:00",""
"7204417","12.473","0.004","21.974","0.005","36.982","0.017","90","","90","","90","","10136","6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H57 N9 O9 -","- C53 H57 N9 O9 -","- C424 H456 N72 O72 -","8","1","","Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.","A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics","Journal of Materials Chemistry","2002","12","8","2237","","10.1039/b202770b","","","0.71073","MoK-alpha","","0.2868","0.0695","","","0.1541","0.211","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204442","22.634","0.001","10.464","0.001","30.689","0.001","90","","90","","90","","7268.4","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bnp.3(23x)","2,2'-dihydroxy-1,1'-binaphthyl tri-2,3-xylidine clathrate","","- C44 H47 N3 O2 -","- C44 H47 N3 O2 -","- C352 H376 N24 O16 -","8","1","","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1246","","10.1039/b204190c","","","0.71069","MoKα","","0.1879","0.0926","","","0.2539","0.3103","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204507","5.3419","0.0008","15.232","0.002","11.084","0.003","90","0","90","0","90","0","901.9","0.3","","","295","","","","","","","","?","4","P b c a","-P 2ac 2ab","61","","","","- Bi Ge O5 Y -","- Bi Ge O5 Y -","- Bi8 Ge8 O40 Y8 -","8","1","","Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines","New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series","J. Mater. Chem.","2002","12","12","3626","3630","10.1039/b207638c","","","0.7107","MoKα","","","3.9","","12.3","","4.6","","","","","","0.8","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204508","5.315","0.002","15.225","0.002","11.025","0.002","90","0","90","0","90","0","892.2","0.4","","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi Ge O5 Yb -","- Bi Ge O5 Yb -","- Bi8 Ge8 O40 Yb8 -","8","1","","Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines","New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series","J. Mater. Chem.","2002","12","12","3626","3630","10.1039/b207638c","","","0.7107","MoKα","","4","4.9","","","","","","","","","","0.9","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204525","8.527","0.002","21.517","0.003","22.053","0.003","90","","90","","90","","4046.2","1.2","210","2","210","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C160 H160 N16 O56 S8 -","8","1","","Caggiano, Lorenzo; Fox, David J.; House, David; Jones, Zoe A.; Kerr, Fraser; Warren, Stuart","Asymmetric synthesis of tetrahydrofurans by competitive [1,2]-phenylsulfanyl (PhS) migrations under thermodynamic control","Journal of the Chemical Society, Perkin Transactions 1","2002","","23","2634","","10.1039/b208556a","","","1.54178","CuKα","","0.0724","0.0434","","","0.0897","0.1006","","","","","","1.065","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204528","14.627","0.0006","15.1447","0.0007","16.6446","0.0007","90","","90","","90","","3687.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H O8.5 Rb2 Si2 U -","- O8.5 Rb2 Si2 U -","- O136 Rb32 Si32 U16 -","16","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0577","0.0346","","","0.1037","0.1092","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204530","15.0472","0.0008","15.4265","0.0008","16.7315","0.0009","90","","90","","90","","3883.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Cs2 H O8.5 Si2 U -","- Cs2 O8.5 Si2 U -","- Cs32 O136 Si32 U16 -","16","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0514","0.0291","","","0.0691","0.0738","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204557","15.47","0.02","7.797","0.014","18.86","0.03","90","","90","","90","","2275","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O4 -","- C13 H10 O4 -","- C104 H80 O32 -","8","1","","Davidson, Louise; Blencowe, Anton; Drew, Michael G. B.; Freebairn, Keith W.; Hayes, Wayne","Synthesis and evaluation of a solid supported molecular tweezer type receptor for cholesterolElectronic supplementary information (ESI) available: synthetic procedures and analytical data for compounds 3‒8. See http://www.rsc.org/suppdata/jm/b2/b210427j/","Journal of Materials Chemistry","2003","13","4","758","","10.1039/b210427j","","","0.71073","MoKα","","0.1766","0.0764","","","0.2277","0.26","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204581","13.0654","0.0013","14.4171","0.0019","12.874","0.0017","90","","90","","90","","2425","0.5","298.2","","298.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C88 H128 N24 O16 -","8","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.0674","0.0414","","","0.1172","0.1254","","","","","","1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204584","8.5187","0.0009","9.8623","0.0011","14.8684","0.0015","90","","90","","90","","1249.2","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","","Dudd, Lucinda M.; Venardou, Eleni; Garcia-Verdugo, Eduardo; Licence, Peter; Blake, Alexander J.; Wilson, Claire; Poliakoff, Martyn","Synthesis of benzimidazoles in high-temperature waterThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.Electronic supplementary information (ESI) available: analytical data for compounds 3a‒f and 5g‒j. See http://www.rsc.org/suppdata/gc/b2/b212394k/","Green Chemistry","2003","5","2","187","","10.1039/b212394k","","","0.71073","MoKα","","0.0677","0.0379","","","0.0862","0.0999","","","","","","1.025","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204631","11.564","0.002","16.393","0.003","16.793","0.003","90","","90","","90","","3183.4","1","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.0979","0.0666","","","0.1802","0.2048","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204632","11.377","0.002","15.982","0.003","16.191","0.003","90","","90","","90","","2944","0.9","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","","- C34 H34 O4 S2 -","- C34 H34 O4 S2 -","- C136 H136 O16 S8 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.1096","0.097","","","0.206","0.2108","","","","","","1.226","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204654","14.6797","0.0006","10.1204","0.0004","16.6015","0.0007","90","","90","","90","","2466.39","0.17","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methylammonium zinc phosphate","","","- C H6 N O12 P3 Zn4 -","- C H6 N O12 P3 Zn4 -","- C8 H48 N8 O96 P24 Zn32 -","8","1","","Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley","Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/","Journal of Materials Chemistry","2003","13","8","1936","","10.1039/b303910b","","","0.71073","MoKα","","0.0274","0.024","","","0.0542","0.0555","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204661","16.788","0.0002","17.06","0.0002","18.313","0.0003","90","","90","","90","","5244.9","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H44 Br N5 S2 -","- C18 H44 Br N5 S2 -","- C144 H352 Br8 N40 S16 -","8","1","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71069","MoKα","","0.0752","0.0455","","","0.1113","0.1303","","","","","","1.041","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204688","11.1294","0.0007","8.9365","0.0006","25.7799","0.0016","90","","90","","90","","2564","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Hg N S2 -","- C12 H13 Hg N S2 -","- C96 H104 Hg8 N8 S16 -","8","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.047","0.032","","","0.068","0.073","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204689","18.4262","0.0011","20.7941","0.0012","21.1986","0.0012","90","","90","","90","","8122.4","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H71 Hf N O4 Si4 -","- C28 H71 Hf N O4 Si4 -","- C224 H568 Hf8 N8 O32 Si32 -","8","1","","Roberts, John L.; Marshall, Paul A.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Williams, Paul A.; Taylor, Stephen; Smith, Lesley M.; Critchlow, Gary W.; Schumacher, Marcus; Lindner, Johannes","Deposition of hafnium silicate films by liquid injection MOCVD using a single source or dual source approach","Journal of Materials Chemistry","2004","14","3","391","","10.1039/b305665c","","","0.71073","MoKα","","0.0475","0.0272","","","0.0586","0.0644","","","","","","1.02","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204697","16.248","0.004","19.603","0.004","26.44","0.008","90","","90","","90","","8421","4","294","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Fe Hg I4 N7 O -","- C40 H29 Fe Hg I4 N7 O -","- C320 H232 Fe8 Hg8 I32 N56 O8 -","8","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.043","","","","0.047","","","","","","1.34","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204709","10.8647","0.0009","19.681","0.0016","19.974","0.0017","90","","90","","90","","4271","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dineodymium(iii)decahydrate","tetraaquotris(galactarato)dineodymium(III)decahydrate","","- C18 H52 Nd2 O38 -","- C18 H12 Nd2 O38 -","- C72 H48 Nd8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0769","0.0503","","","0.1016","0.1102","","","","","","1.086","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204710","10.761","0.004","19.427","0.007","19.681","0.007","90","","90","","90","","4114","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dieuropium(iii)decahydrate","tetraaquotris(galactarato)dieuropium(III)decahydrate","","- C18 H52 Eu2 O38 -","- C18 H12 Eu2 O38 -","- C72 H48 Eu8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.114","0.071","","","0.1249","0.1384","","","","","","1.145","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204744","8.0797","0.0018","14.555","0.003","28.575","0.007","90","","90","","90","","3360.4","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Zinc phosphate","","","- C3 H14 N2 O11 P2 Zn -","- C3 H14 N2 O11 P2 Zn -","- C24 H112 N16 O88 P16 Zn8 -","8","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.1858","0.1024","","","0.2678","0.331","","","","","","1.003","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204756","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","DeGroot, Marty W.; Taylor, Nicholas J.; Corrigan, John F.","Molecular nanocluster analogues of CdSe/ZnSe and CdTe/ZnTe core/shell nanoparticles","Journal of Materials Chemistry","2004","14","4","654","","10.1039/b312297b","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204825","9.1712","0.0006","18.3898","0.0012","21.6441","0.0014","90","","90","","90","","3650.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 S2 -","- C18 H18 Cl2 N2 S2 -","- C144 H144 Cl16 N16 S16 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0761","0.0629","","","0.1838","0.2014","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204826","9.0907","0.0004","9.8349","0.0004","27.2937","0.0014","90","","90","","90","","2440.22","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C96 H96 Cl8 N8 O8 S8 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.1142","0.0649","","","0.1031","0.1168","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204835","11.803","0.002","7.833","0.001","23.664","0.002","90","","90","","90","","2187.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2,6-difluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 F2 N2 O2 -","- C13 H7 F2 N2 O2 -","- C104 H56 F16 N16 O16 -","8","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1986","0.0455","","","0.0552","0.071","","","","","","0.819","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204875","15.413","0.003","17.607","0.003","18.504","0.003","90","","90","","90","","5021.6","1.5","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrakis-(4-cyanophenyl)methane-MeCN","tetrakis-(4-cyanophenyl)methane-MeCN","","- C29 H16 N4 -","- C29 H16 N4 -","- C232 H128 N32 -","8","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1201","0.0687","","","0.155","0.1766","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204877","14.027","0.005","6.124","0.002","17.047","0.006","90","","90","","90","","1464.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-methoxy-4-ethynylbenzene","1-methoxy-4-ethynylbenzene","","- C9 H8 O -","- C9 H8 O -","- C72 H64 O8 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0428","0.0372","","","0.099","0.1046","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204878","13.962","0.003","6.052","0.001","19.542","0.003","90","","90","","90","","1651.3","0.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-(methoxycarbonyl)-4-ethynylbenzene","1-(methoxycarbonyl)-4-ethynylbenzene","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0535","0.0432","","","0.1155","0.1228","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204894","10.605","0.001","8.003","0.002","23.478","0.002","90","","90","","90","","1992.6","0.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Hg2 O4 S8 -","- C8 H14 Hg2 O4 S8 -","- C32 H56 Hg8 O16 S32 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","209427","2020-10-21","18:00:00",""
"7204944","9.27","0.002","16.083","0.003","19.858","0.004","90","","90","","90","","2960.6","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 O2 P Se2 -","- C12 H17 O2 P Se2 -","- C96 H136 O16 P8 Se16 -","8","1","","","Conformations of 1,3,6,2-dioxaselenaphosphocanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2374","","10.1039/b008294p","","","0.71073","MoKα","","0.1179","0.0496","","","0.1133","0.1298","","","","","","0.816","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204982","15.917","0.002","9.1897","0.001","20.868","0.003","90","","90","","90","","3052.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-2,4,6-trimethoxybenzaldimine","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1065","0.062","","0.1406","0.1165","","","","1.077","1.185","1.185","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204994","9.846","0.002","9.03","0.002","16.153","0.003","90","","90","","90","","1436.2","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,10-Dithiacyclooctadeca-3,7,12,16-tetrayne (5)","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","0.5","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.063","0.041","","","0.103","0.115","","","","","","1.07","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204996","9.8778","0.0002","9.574","0.0002","28.605","0.0001","90","","90","","90","","2705.18","0.08","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 S8 -","- C22 H28 S8 -","- C88 H112 S32 -","4","0.5","","","Cyclic thiatetraynes: syntheses and structural properties","Journal of the Chemical Society, Perkin Transactions 2","2002","","1","72","","10.1039/b108403h","","","0.71073","MoKα","","0.0365","0.0291","","","0.0693","0.0731","","","","","","1.115","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205018","7.2179","0.0015","14.926","0.003","26.015","0.004","90","","90","","90","","2802.7","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-1-cyano-1,2-bis(2-methoxyphenyl)ethene","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Vande Velde, Christophe M. L.; Blockhuys, Frank; Alsenoy, Christian Van; Lenstra, Albert T. H.; Geise, Herman J.","Structural effects influencing cis‒trans isomerisation in methoxy and cyano substituted stilbene derivativesElectronic supplementary information (ESI) available: Cartesian coordinates for the calculated geometries of 1‒3 and (E)- and (Z)-stilbene. See http://www.rsc.org/suppdata/p2/b2/b201623k/","Journal of the Chemical Society, Perkin Transactions 2","2002","","7","1345","","10.1039/b201623k","","","0.71073","MoKα","","0.1222","0.0764","","","0.1233","0.1527","","","","","","1.164","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205039","7.171","0.003","11.543","0.002","65.146","0.007","90","","90","","90","","5392","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[4-(N,N-diacetyloxyamino)phenylazo]phenyl}- 5-(4-nitrophenyl)-[1,3,4]-oxadiazole","","- C28 H26 N6 O7 -","- C28 H26 N6 O7 -","- C224 H208 N48 O56 -","8","1","","Carella, Antonio; Castaldo, Anna; Centore, Roberto; Fort, Alain; Sirigu, Augusto; Tuzi, Angela","Synthesis and second order nonlinear optical properties of new chromophores containing 1,3,4-oxadiazole and thiophene rings","Journal of the Chemical Society, Perkin Transactions 2","2002","","11","1791","","10.1039/b207230k","","","1.54178","CuKα","","0.2809","0.0793","","","0.2046","0.2893","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205050","16.1407","0.0006","6.9435","0.0002","30.3299","0.0011","90","","90","","90","","3399.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl2 Hg2 N12 -","- C10 H6 Cl2 Hg2 N12 -","- C80 H48 Cl16 Hg16 N96 -","8","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0373","0.0336","","","0.0859","0.0881","","","","","","1.05","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205081","16.674","0.003","8.545","0.002","19.279","0.004","90","","90","","90","","2746.9","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne","","- C12 H18 O5 S -","- C12 H18 O5 S -","- C96 H144 O40 S8 -","8","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1118","0.0511","","","0.1407","0.158","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205098","16.379","0.0005","16.361","0.0005","28.999","0.0009","90","","90","","90","","7771.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H43.5 N O13.25 Zn3 -","- C34 H43.5 N O13.25 Zn3 -","- C272 H348 N8 O106 Zn24 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0713","0.0329","","","0.0705","0.0748","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205173","18.052","0.0004","13.836","0.0003","19.114","0.0004","90","","90","","90","","4774.06","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cu2 N O10 -","- C21 H10 Cu2 N O10 -","- C168 H80 Cu16 N8 O80 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.2341","0.1322","","","0.3095","0.3843","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205178","12.8064","0.0005","19.7143","0.0008","20.4235","0.0009","90","","90","","90","","5156.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C184 H216 Cl8 Cu8 Hg8 N16 O72 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0245","0.0191","","","0.0466","0.0493","","","","","","1.066","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205186","16.4763","0.0014","13.2934","0.0011","17.2155","0.0015","90","","90","","90","","3770.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.052","0.0336","","","0.076","0.0857","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205509","10.3591","0.0004","12.9102","0.0004","27.5492","0.0008","90","","90","","90","","3684.4","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0778","0.0434","","","0.0978","0.115","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205543","9.9543","0.0007","5.9678","0.0004","10.1404","0.0007","90","","90","","90","","602.39","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","selenolo(3,2-b)thiophene","selenolo[3,2-b]thiophene","","- C6 H4 S Se -","- C6 H4 S Se -","- C24 H16 S4 Se4 -","4","0.5","","Mishra, Sarada P.; Javier, Anna E.; Zhang, Rui; Liu, Junying; Belot, John A.; Osaka, Itaru; McCullough, Richard D.","Mixed selenium-sulfur fused ring systems as building blocks for novel polymers used in field effect transistors","Journal of Materials Chemistry","2011","21","5","1551","","10.1039/c0jm00602e","","","0.71073","MoKα","","0.0224","0.0201","","","0.0585","0.0596","","","","","","1.058","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205567","12.7246","0.0008","12.41","0.0008","24.2921","0.0015","90","","90","","90","","3836","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N8 O8 S2 -","- C30 H54 N8 O8 S2 -","- C120 H216 N32 O32 S8 -","4","0.5","","Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D.","Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks","Journal of Materials Chemistry","2011","21","7","2204","","10.1039/c0jm03449e","","","0.71073","MoKα","","0.0389","0.0343","","","0.0941","0.0994","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205697","19.249","0.004","7.6441","0.0015","26.522","0.005","90","","90","","90","","3902.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 Mn2 N8 O16 -","- C38 H26 Mn2 N8 O16 -","- C152 H104 Mn8 N32 O64 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0674","0.0508","","","0.1018","0.1086","","","","","","1.04","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205701","19.237","0.004","7.5997","0.0015","26.035","0.005","90","","90","","90","","3806.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 N8 O16 Zn2 -","- C38 H26 N8 O16 Zn2 -","- C152 H104 N32 O64 Zn8 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0715","0.0476","","","0.0941","0.1019","","","","","","1.037","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205808","18.4041","0.0017","8.4011","0.0007","22.587","0.002","90","","90","","90","","3492.3","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl N2 O6 -","- C16 H19 Cl N2 O6 -","- C128 H152 Cl8 N16 O48 -","8","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1002","0.0727","","","0.2103","0.2369","","","","","","1.056","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205826","35.704","0.006","33.36","0.005","8.2196","0.0013","90","","90","","90","","9790","3","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl4 Cu2 N14 O6 -","- C42 H54 Cl4 Cu2 N14 O6 -","- C336 H432 Cl32 Cu16 N112 O48 -","8","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.1938","0.0916","","","0.1546","0.19","","","","","","1.012","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205877","14.8878","0.0006","15.1363","0.0006","23.6357","0.0009","90","","90","","90","","5326.2","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cu4 I4 N8 -","- C16 H20 Cu4 I4 N8 -","- C128 H160 Cu32 I32 N64 -","8","1","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0518","0.0366","","","0.0826","0.0908","","","","","","1.018","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205906","20.254","0.004","11.741","0.002","25.352","0.005","90","","90","","90","","6029","2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Bi2 I8 N2 -","- C14 H18 Bi2 I8 N2 -","- C112 H144 Bi16 I64 N16 -","8","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0988","0.0634","","","0.1426","0.163","","","","","","1.043","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205919","6.8239","0.0004","7.2324","0.0003","35.2082","0.0015","90","","90","","90","","1737.64","0.15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Yoon, Seong-Jun; Park, SooYoung","Polymorphic and mechanochromic luminescence modulation in the highly emissive dicyanodistyrylbenzene crystal: secondary bonding interaction in molecular stacking assembly","Journal of Materials Chemistry","2011","21","23","8338","","10.1039/c0jm03711g","","","0.71073","MoKα","","0.0665","0.0461","","","0.1319","0.1538","","","","","","1.14","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206019","10.3115","0.0009","10.4977","0.001","14.7439","0.0014","90","","90","","90","","1596","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C32 H48 Cu16 N64 -","16","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0545","0.0462","","","0.1102","0.1155","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206086","11.368","0.002","15.431","0.003","15.462","0.003","90","","90","","90","","2712.3","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Isopropyl anthracene-9-carboxylate dimer","","","- C36 H32 O4 -","- C36 H32 O4 -","- C144 H128 O16 -","4","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1447","0.0734","","","0.1841","0.2109","","","","","","1.003","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206163","7.134","0.008","9.694","0.011","9.93","0.01","90","","90","","90","","686.7","1.3","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0751","0.035","","","0.07","0.0822","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206205","7.7821","0.0016","7.0635","0.0014","11.62","0.002","90","","90","","90","","638.7","0.2","296","2","296","2","1300000","","1300000","","","","","4","P b c a","-P 2ac 2ab","61","chloroacetonitrile","chloroacetonitrile","","- C2 H2 Cl N -","- C2 H2 Cl N -","- C16 H16 Cl8 N8 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.058","0.0493","","","0.0995","0.1043","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206241","9.5788","0.0008","7.8985","0.0007","42.819","0.004","90","","90","","90","","3239.6","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 I3 N O -","- C13 H12 I3 N O -","- C104 H96 I24 N8 O8 -","8","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0524","0.0419","","","","0.0772","","","","","","1.191","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206269","24.492","0.005","16.886","0.003","25.983","0.005","90","","90","","90","","10746","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H92 Mn4 N8 O26 S4 -","- C107.96 H92 Mn4 N8 O26 S4 -","- C431.84 H368 Mn16 N32 O104 S16 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.1268","0.0649","","","0.1582","0.1983","","","","","","1.034","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206292","19.008","0.004","12.186","0.002","22.35","0.005","90","","90","","90","","5177","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cd N2 O4 -","- C29 H22 Cd N2 O4 -","- C232 H176 Cd8 N16 O32 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1639","0.096","","","0.1276","0.1452","","","","","","1.184","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206293","18.327","0.004","11.613","0.002","22.078","0.004","90","","90","","90","","4698.9","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1213","0.0719","","","0.1515","0.175","","","","","","1.074","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206315","10.1385","0.001","17.0608","0.0017","21.875","0.002","90","","90","","90","","3783.7","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Br N4 Ni O4 -","- C18 H17 Br N4 Ni O4 -","- C144 H136 Br8 N32 Ni8 O32 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0588","0.0348","","","0.0671","0.0771","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206318","16.093","0.003","13.984","0.003","16.47","0.003","90","","90","","90","","3706.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Fe N3 O5 S4 -","- C14 H10 Fe N3 O5 S4 -","- C112 H80 Fe8 N24 O40 S32 -","8","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0345","0.028","","","0.0661","0.0695","","","","","","1.041","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206370","10.9611","0.0013","16.2605","0.0018","21.915","0.003","90","","90","","90","","3906","0.8","273","2","273","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C96 H240 Cl16 Co4 Cu8 N24 Ni8 O24 -","4","0.5","","Nesterov, Dmytro S.; Graiff, Claudia; Tiripicchio, Antonio; Pombeiro, Armando J. L.","Direct synthesis and crystal structure of a new pentanuclear heterotrimetallic Cu/Co/Ni complex with 2-(dimethylamino)ethanol. Discussion of possible “butterfly-like” molecular structure types","CrystEngComm","2011","13","17","5348","","10.1039/c1ce05049d","","","0.71073","MoKα","","0.0401","0.0276","","","0.077","0.0829","","","","","","0.948","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206376","8.0664","0.0002","9.4009","0.0002","29.5324","0.0008","90","","90","","90","","2239.48","0.1","294","2","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","NmoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.066","0.0396","","","0.1002","0.107","","","","","","0.977","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206421","11.3096","0.0003","12.9226","0.0004","29.1608","0.0008","90","","90","","90","","4261.8","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C96 H48 Cl48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0389","0.03","","","0.0638","0.0671","","","","","","1.045","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206422","11.4204","0.0002","12.9897","0.0003","30.0304","0.0008","90","","90","","90","","4454.94","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C96 H48 Br48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0742","0.0519","","","0.0991","0.1078","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206445","9.163","0.003","15.148","0.005","29.339","0.009","90","","90","","90","","4072","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H27 Cl3 N4 O2 Pd -","- C15 H23 Cl3 N4 O2 Pd -","- C120 H184 Cl24 N32 O16 Pd8 -","8","1","","Zhou, Chunshan; Wang, Jinyun; Li, Liuyi; Wang, Ruihu; Hong, Maochun","A palladium chelating complex of ionic water-soluble nitrogen-containing ligand: the efficient precatalyst for Suzuki‒Miyaura reaction in water","Green Chemistry","2011","13","8","2100","","10.1039/c1gc15060j","","","0.71073","MoKα","","0.0436","0.0335","","","0.0973","0.1214","","","","","","1.156","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206527","10.4622","0.0002","10.4196","0.0003","30.6975","0.0009","90","","90","","90","","3346.39","0.15","120","2","120","2","","","","","","","Jose Giner Planas","5","P b c a","-P 2ac 2ab","61","CQMec020","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C104 H168 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1111","0.066","","","0.1585","0.1813","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206633","10.3892","0.0004","10.6944","0.0004","20.3245","0.0009","90","","90","","90","","2258.18","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 Cu N3 S2 -","- C9 H9 Cu N3 S2 -","- C72 H72 Cu8 N24 S16 -","8","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0795","0.0316","","","0.0564","0.0611","","","","","","0.761","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206678","14.691","0.006","7.384","0.005","20.279","0.009","90","","90","","90","","2200","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl2 Hg N2 O -","- C7 H12 Cl2 Hg N2 O -","- C56 H96 Cl16 Hg8 N16 O8 -","8","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0451","0.045","","","0.1167","0.1168","","","","","","1.196","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206726","27.406","0.006","15.76","0.003","15.649","0.003","90","","90","","90","","6759","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","rubidium triphenylcyanoborate","","- C19 H15 B N Rb -","- C19 H15 B N Rb -","- C304 H240 B16 N16 Rb16 -","16","2","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.1975","0.0554","","","0.0961","0.1162","","","","","","0.861","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206754","17.353","0.003","10.3148","0.0016","20.974","0.004","90","","90","","90","","3754.2","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Cl3 N4 Zn -","- C20 H13 Cl3 N4 Zn -","- C160 H104 Cl24 N32 Zn8 -","8","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0823","0.0828","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206762","22.687","0.003","14.2059","0.0016","32.493","0.004","90","","90","","90","","10472","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Ni2(oba)2(bpy)3(H2O)4)","","","- C58 H48 N6 Ni2 O14 -","- C58 H48 N6 Ni2 O14 -","- C464 H384 N48 Ni16 O112 -","8","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.2084","0.0965","","","0.1893","0.2425","","","","","","1.016","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206804","11.263","0.0006","16.4363","0.0008","17.4733","0.0009","90","","90","","90","","3234.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C160 H176 N8 O16 -","4","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.063","0.0457","","","0.1173","0.1281","","","","","","1.025","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206876","10.198","0.0008","8.731","0.0012","17.664","0.002","90","","90","","90","","1572.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.1859","0.0773","","","0.1358","0.1672","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7207075","9.94","0.005","9.87","0.005","26.176","0.014","90","","90","","90","","2568","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 Zn -","- C12 H11 N3 O4 Zn -","- C96 H88 N24 O32 Zn8 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0908","0.0779","","","0.1889","0.1971","","","","","","1.157","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207173","12.097","0.003","10.088","0.002","26.807","0.006","90","","90","","90","","3271.4","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,3-benzothiazole-2-yl","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C136 H120 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0538","0.0528","","","0.1024","0.103","","","","","","1.318","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207174","14.1449","0.0013","9.9181","0.0009","25.167","0.002","90","","90","","90","","3530.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","6-methyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C144 H136 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0647","0.0625","","","0.1182","0.1192","","","","","","1.342","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207197","17.731","0.004","15.981","0.003","28.505","0.006","90","","90","","90","","8077","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Cu2 N6 O14 S2 Sr -","- C76 H120 Cu2 N6 O14 S2 Sr -","- C304 H480 Cu8 N24 O56 S8 Sr4 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0579","0.0551","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207198","18.512","0.004","15.92","0.003","27.967","0.006","90","","90","","90","","8242","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Ba Cu2 N6 O14 S2 -","- C76 H120 Ba Cu2 N6 O14 S2 -","- C304 H480 Ba4 Cu8 N24 O56 S8 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0933","0.0849","","","0.2494","0.2585","","","","","","1.09","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207200","14.348","0.012","8.033","0.007","35.93","0.03","90","","90","","90","","4141","6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N9 O9 -","- C15 H21 N9 O9 -","- C120 H168 N72 O72 -","8","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.1666","0.072","","","0.1182","0.1513","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207254","18.8103","0.0009","16.0825","0.0007","25.3728","0.0013","90","","90","","90","","7675.7","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]LS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0625","0.0324","","","0.0723","0.0771","","","","","","0.879","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207255","19.2017","0.0005","16.2729","0.0008","25.7799","0.0015","90","","90","","90","","8055.4","0.6","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]HS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0815","0.0346","","","0.0741","0.0815","","","","","","0.823","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207350","15.1961","0.0004","15.0703","0.0004","26.0915","0.0007","90","","90","","90","","5975.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Cl4 F4 O4 Tl4 -","- C24 H12 Cl4 F4 O4 Tl4 -","- C192 H96 Cl32 F32 O32 Tl32 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0478","0.0281","","","0.0616","0.0722","","","","","","0.996","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207390","11.3702","0.0014","17.1","0.002","17.374","0.002","90","","90","","90","","3378","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cu2 N4 O9 S -","- C12 H14 Cu2 N4 O9 S -","- C96 H112 Cu16 N32 O72 S8 -","8","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0435","0.0363","","","0.0956","0.0979","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207469","10.151","0.005","9.687","0.005","29.778","0.005","90","0.005","90","0.005","90","0.005","2928","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cd3 O12 P2 -","- C28 H24 Cd3 O12 P2 -","- C112 H96 Cd12 O48 P8 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0323","0.028","","","0.0564","0.0585","","","","","","1.055","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207491","7.8287","0.0013","10.025","0.002","14.764","0.003","90","","90","","90","","1158.7","0.4","195","0.2","195","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dichloromethane dioxane co-crystal","dichloromethane 1,4-dioxane clathrate (2:1)","","- C6 H12 Cl4 O2 -","- C6 H12 Cl4 O2 -","- C24 H48 Cl16 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","Mo-Kα","","0.0512","0.0326","","","0.0753","0.0848","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207543","16.2938","0.0004","19.3536","0.0004","38.9277","0.0009","90","","90","","90","","12275.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H57 Cd2 N22 O19.5 -","- C51 H58.5 Cd2 N22 O19.5 -","- C408 H468 Cd16 N176 O156 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1122","0.0985","","","0.2269","0.2321","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207692","10.4","0.001","12.165","0.0015","15.37","0.002","90","","90","","90","","1944.6","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71075","MoKα","","0.0427","0.0395","","","0.0999","0.1026","","","","","","1.049","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207766","13.247","0.001","11.2054","0.001","15.5055","0.0014","90","","90","","90","","2301.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C64 H80 F48 N24 O16 P8 -","8","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0383","0.029","","","0.0714","0.0775","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207821","14.3014","0.0008","14.3112","0.0007","26.2091","0.0012","90","","90","","90","","5364.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Co N6 O2 S2 -","- C27 H28 Co N6 O2 S2 -","- C216 H224 Co8 N48 O16 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0425","0.0415","","","0.0928","0.0933","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207839","12.653","0.003","13.229","0.003","26.039","0.005","90","","90","","90","","4358.6","1.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Ag I3 N2 -","- C18 H18 Ag I3 N2 -","- C144 H144 Ag8 I24 N16 -","8","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0521","0.0311","","","0.0553","0.0596","","","","","","1.106","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207865","10.1525","0.001","13.559","0.0014","17.9533","0.0019","90","","90","","90","","2471.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C96 H80 N16 O40 Zn8 -","8","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0404","0.0333","","","0.0881","0.091","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208027","8.1571","0.0004","16.5407","0.0009","33.1095","0.0018","90","","90","","90","","4467.3","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N O P -","- C30 H20 N O P -","- C240 H160 N8 O8 P8 -","8","1","","Lin, Cheng-Huei; Hsu, Che-Wei; Liao, Jia-Ling; Cheng, Yi-Ming; Chi, Yun; Lin, Tsung-Yi; Chung, Min-Wen; Chou, Pi-Tai; Lee, Gene-Hsiang; Chang, Chih-Hao; Shih, Chin-Yao; Ho, Chi-Lung","Phosphorescent OLEDs assembled using Os(ii) phosphors and a bipolar host material consisting of both carbazole and dibenzophosphole oxide","Journal of Materials Chemistry","2012","22","21","10684","","10.1039/c2jm16674g","","","0.71073","MoKα","","0.0779","0.0548","","","0.1239","0.1413","","","","","","1.112","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208054","6.4648","0.0013","9.841","0.002","30.508","0.006","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N5 -","- C10 H8 N5 -","- C80 H64 N40 -","8","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0764","0.0754","","","0.1805","0.1813","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208063","17.55","0.004","12.839","0.003","18.15","0.004","90","","90","","90","","4089.6","1.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 O5 Zn -","- C22 H16 N4 O5 Zn -","- C176 H128 N32 O40 Zn8 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.1154","0.0534","","","0.124","0.1536","","","","","","1.004","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208064","17.4706","0.0018","12.8946","0.0013","18.194","0.002","90","","90","","90","","4098.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Co N4 O5 -","- C22 H16 Co N4 O5 -","- C176 H128 Co8 N32 O40 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0492","0.0359","","","0.0968","0.103","","","","","","1.083","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208149","11.9981","0.0019","7.3161","0.0012","23.079","0.003","90","","90","","90","","2025.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N2 O -","- C10 H11 Cl N2 O -","- C80 H88 Cl8 N16 O8 -","8","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.135","0.0428","","","0.0823","0.1024","","","","","","0.971","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208159","9.2264","0.0003","7.7926","0.0003","25.4538","0.0009","90","","90","","90","","1830.07","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cd O5 -","- C8 H8 Cd O5 -","- C64 H64 Cd8 O40 -","8","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.038","0.0347","","","0.0884","0.0895","","","","","","1.275","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208173","6.8587","0.0007","13.6008","0.0015","31.175","0.003","90","","90","","90","","2908.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-(diazan-2-ium-1-ylcarbonyl)pyridinium)?(but-2-yn-1-olate)2","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.1283","0.0641","","","0.1467","0.1724","","","","","","0.989","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208184","9.253","0.003","14.658","0.004","16.195","0.005","90","","90","","90","","2196.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Br2 N4 O2 -","- C16 H32 Br2 N4 O2 -","- C64 H128 Br8 N16 O8 -","4","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0263","0.0204","","","0.0481","0.0502","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208192","8.6405","0.0012","16.365","0.003","26.485","0.004","90","","90","","90","","3745","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Pr S4 Sb -","- C8 H17 N6 Pr S4 Sb -","- C64 H136 N48 Pr8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0458","0.0432","","","0.0982","0.0989","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208193","8.6296","0.0013","16.264","0.003","26.393","0.004","90","","90","","90","","3704.3","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Nd S4 Sb -","- C8 H17 N6 Nd S4 Sb -","- C64 H136 N48 Nd8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0419","0.0323","","","0.0706","0.0818","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208194","8.6501","0.0005","16.2077","0.0009","26.3582","0.0017","90","","90","","90","","3695.4","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 S4 Sb Sm -","- C8 H17 N6 S4 Sb Sm -","- C64 H136 N48 S32 Sb8 Sm8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0592","0.0494","","","0.1036","0.1079","","","","","","1.155","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208210","8.9962","0.0018","25.246","0.005","35.1","0.007","90","","90","","90","","7972","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H56 Ag2 N4 O14 -","- C32 H56 Ag2 N4 O14 -","- C256 H448 Ag16 N32 O112 -","8","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.1137","0.0701","","","0.1878","0.2159","","","","","","1.036","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208250","12.226","0.002","11.891","0.002","13.689","0.002","90","","90","","90","","1990.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Paracetamol_morpholine","","","- C10 H13.5 N1.5 O2.5 -","- C10 H13.5 N O3 -","- C80 H108 N8 O24 -","8","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0526","0.0459","","","0.1476","0.1524","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208310","25.815","0.002","8.8838","0.0008","28.137","0.003","90","","90","","90","","6452.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 I2 N6 O2 Zn -","- C32 H26 I2 N6 O2 Zn -","- C256 H208 I16 N48 O16 Zn8 -","8","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1025","0.0449","","","0.0845","0.1046","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208386","17.445","0.004","13.883","0.003","24.348","0.005","90","","90","","90","","5897","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SU-71","","","- C10.62 H32.32 Ge7 N5.31 O17 -","- C10.62 H3 Ge7 N5.31 O17 -","- C84.96 H24 Ge56 N42.48 O136 -","8","1","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0714","0.0679","","","0.1735","0.1763","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208389","41.616","0.008","15.67","0.003","15.67","0.003","90","","90","","90","","10219","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Eu6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Eu6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Eu24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0568","0.0402","","","0.08","0.0824","","","","","","0.897","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208390","26.089","0.005","13.499","0.003","13.337","0.003","90","","90","","90","","4697","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Eu N8 S4 Sb -","- C12 H36 Eu N8 S4 Sb -","- C96 H288 Eu8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0242","0.0202","","","0.0416","0.0435","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208391","13.44","0.003","13.324","0.003","26.002","0.005","90","","90","","90","","4656.3","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Gd N8 S4 Sb -","- C12 H36 Gd N8 S4 Sb -","- C96 H288 Gd8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0387","0.0237","","","0.0456","0.05","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208392","13.441","0.003","13.312","0.003","26.026","0.005","90","","90","","90","","4656.7","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Er N8 S4 Sb -","- C12 H36 Er N8 S4 Sb -","- C96 H288 Er8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0495","0.0268","","","0.0526","0.06","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208393","15.543","0.003","15.647","0.003","41.256","0.008","90","","90","","90","","10034","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 N30 O4 S14 Sb4 Y6 -","- C48 H138 Cl2 N30 O4 S14 Sb4 Y6 -","- C192 H552 Cl8 N120 O16 S56 Sb16 Y24 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0962","0.0511","","","0.0977","0.1121","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208394","15.548","0.003","15.682","0.003","41.22","0.008","90","","90","","90","","10050","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Er6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Er6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Er24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0425","0.0365","","","0.0774","0.08","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208553","5.7447","0.0001","16.4119","0.0002","32.229","0.0005","90","","90","","90","","3038.6","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0418","0.0294","","","0.063","0.0657","","","","","","1.078","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208555","5.7074","0.0001","16.4007","0.0002","31.869","0.0005","90","","90","","90","","2983.11","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-dibromotetrafluorobenzene 2/1","","- C32 H26 Br2 F4 O2 P2 -","- C32 H26 Br2 F4 O2 P2 -","- C128 H104 Br8 F16 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0419","0.0327","","","0.0718","0.0754","","","","","","1.063","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208719","13.513","0.001","15.5802","0.0011","20.9805","0.0016","90","","90","","90","","4417.1","0.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C144 H240 N32 O48 W8 -","8","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0421","0.0293","","","0.0785","0.0912","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208741","13.4295","0.0007","17.027","0.0009","20.1592","0.0011","90","","90","","90","","4609.7","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Ag Cl N3 O4 S2 -","- C20 H25 Ag Cl N3 O4 S2 -","- C160 H200 Ag8 Cl8 N24 O32 S16 -","8","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0717","0.0631","","","0.1117","0.1143","","","","","","1.344","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208758","19.134","0.004","8.1984","0.0016","19.519","0.004","90","","90","","90","","3061.9","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 O13 S2 Sr2 -","- C6 H12 O13 S2 Sr2 -","- C48 H96 O104 S16 Sr16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0718","0.0576","","","0.1452","0.1568","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208779","10.9333","0.0009","10.2837","0.0009","31.318","0.003","90","","90","","90","","3521.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Eu N3 O12 S3 -","- C5 H21 Eu N3 O12 S3 -","- C40 H168 Eu8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0371","0.0307","","","0.0789","0.081","","","","","","1.144","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208780","10.9321","0.0017","10.272","0.0016","31.325","0.005","90","","90","","90","","3517.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Gd N3 O12 S3 -","- C5 H21 Gd N3 O12 S3 -","- C40 H168 Gd8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0452","0.0314","","","0.0679","0.0717","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208781","10.919","0.004","10.236","0.003","31.206","0.01","90","","90","","90","","3488","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 N3 O12 S3 Tb -","- C5 H21 N3 O12 S3 Tb -","- C40 H168 N24 O96 S24 Tb8 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0369","0.0261","","","0.0656","0.0703","","","","","","0.978","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208913","19.052","0.002","18.588","0.002","28.092","0.004","90","","90","","90","","9948","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Br5 Cd6 N41 O -","- C16 H38 Br5 Cd6 N41 O -","- C128 H304 Br40 Cd48 N328 O8 -","8","1","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0381","0.0366","","","0.0838","0.0847","","","","","","1.054","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208942","18.055","0.0004","16.3958","0.0003","29.0934","0.0007","90","","90","","90","","8612.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H32 La2 N2 O18 -","- C45 H32 La2 N2 O18 -","- C360 H256 La16 N16 O144 -","8","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0457","0.0259","","","0.077","0.0855","","","","","","0.58","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208978","13.2467","0.0003","28.8514","0.0008","32.3635","0.0008","90","","90","","90","","12368.9","0.5","133.1","","133.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H87 N5 O5 -","- C67 H87 N5 O5 -","- C536 H696 N40 O40 -","8","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Takahashi, Hiroki; Tamura, Rui","Solid‒gas sorption behavior of a new polymorph of azacalix[5]arene pentamethyl ether as controlled by crystal architecture","CrystEngComm","2013","15","8","1536","","10.1039/c2ce26339d","","","0.71075","MoKα","","","0.088","","","","0.2478","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208995","5.1519","0.0009","11.244","0.002","16.37","0.003","90","","90","","90","","948.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4-bis(cyanoxime)benzene","1,4-bis(cyanoxime)benzene","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0934","0.0635","","","0.1809","0.2028","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7209026","11.4954","0.0017","10.6744","0.0017","15.506","0.003","90","","90","","90","","1902.7","0.6","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0495","0.0377","","","0.092","0.0987","","","","","","1.037","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209141","13.132","0.003","6.9261","0.0014","24.512","0.005","90","","90","","90","","2229.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N2 O7 -","- C8 H9 Ag N2 O7 -","- C64 H72 Ag8 N16 O56 -","8","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0497","0.0413","","","0.1026","0.1092","","","","","","1.048","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209145","17.182","0.003","17.97","0.004","22.695","0.004","90","","90","","90","","7007","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H46 Cl3 Dy N2 O8 -","- C26 H46 Cl3 Dy N2 O8 -","- C208 H368 Cl24 Dy8 N16 O64 -","8","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0693","0.0342","","","0.0677","0.0783","","","","","","1.003","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209165","8.7107","0.0008","16.0126","0.0015","20.772","0.002","90","","90","","90","","2897.3","0.5","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C112 H128 N32 S8 -","8","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0433","0.0373","","","0.0948","0.0992","","","","","","1.028","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209169","10.984","0.01","17.667","0.016","26.08","0.02","90","","90","","90","","5061","8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cd N8 O2 -","- C28 H20 Cd N8 O2 -","- C224 H160 Cd8 N64 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0466","0.0307","","","0.0655","0.0732","","","","","","1.031","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209369","6.8206","","11.237","","16.876","","90","","90","","90","","1293.43","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag2 Hg (Se O3)2","","- Ag2 Hg O6 Se2 -","- Ag2 Hg O6 Se2 -","- Ag16 Hg8 O48 Se16 -","8","1","","Weil, M.","Investigations in the systems Ag - Hg - X - O (X = As(V), Se(IV), Se(VI)): hydrothermal single crystal growth of Ag3 As O4, Ag Hg(I)2 As O4, Ag Hg(II) As O4, Ag2 Se O4 and the crystal structure of Ag2 Hg(II) (Se O3)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2003","58","","1091","1096","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209398","6.898","","7.011","","11.773","","90","","90","","90","","569.364","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Au Sn2 -","- Au Sn2 -","- Au8 Sn16 -","8","1","","Wu, Z.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.","Structure refinement of Au Sn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2006","61","","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209471","6.9459","","14.199","","21.116","","90","","90","","90","","2082.56","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pb3 (((P O4)2 B) (P O4))","","- B O12 P3 Pb3 -","- B O12 P3 Pb3 -","- B8 O96 P24 Pb24 -","8","1","","Bluhm, K.; Park, C.-H.","Synthese und Kristallstruktur von Triblei-DiphosphatoBorat-Phosphat, eine Verbindung mit einem ((P O4)2 B P O4)6- - Anion","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","1617","1622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209585","9.639","0.004","10.219","0.005","21.866","0.01","90","","90","","90","","2153.8","1.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N4 O2 Zn -","- C9 H8 N4 O2 Zn -","- C72 H64 N32 O16 Zn8 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.1061","0.0775","","","0.167","0.1818","","","","","","1.281","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209755","6.1054","0.0002","12.475","0.0005","49.1664","0.0013","90","","90","","90","","3744.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C152 H200 N8 O48 -","8","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0717","0.0524","","","0.1415","0.1566","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209799","11.5502","0.0003","8.6872","0.0004","13.6237","0.0006","90","","90","","90","","1366.99","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C32 H40 Br8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0244","0.0235","","","0.0632","0.0641","","","","","","1.069","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209800","11.812","0.005","9.152","0.005","13.478","0.005","90","","90","","90","","1457","1.1","100","2","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 I N2 S -","- C4 H5 I N2 S -","- C32 H40 I8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.7107","MoKα","","0.0789","0.0439","","","0.0743","0.0841","","","","","","1.064","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209812","11.659","0.0004","12.0484","0.0003","28.1225","0.0007","90","","90","","90","","3950.43","0.19","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu2 N5 S3 -","- C17 H17 Cu2 N5 S3 -","- C136 H136 Cu16 N40 S24 -","8","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0667","0.0488","","","0.1218","0.1448","","","","","","1.076","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209824","9.4972","0.0004","18.641","0.0007","21.2437","0.0007","90","","90","","90","","3760.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 Cu N5 O -","- C18 H19 Cl2 Cu N5 O -","- C144 H152 Cl16 Cu8 N40 O8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0315","0.0266","","","0.0688","0.071","","","","","","1.063","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209859","17.9451","0.0011","8.3941","0.0005","19.5874","0.0012","90","","90","","90","","2950.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N6 O4 Zn -","- C15 H9 N6 O4 Zn -","- C120 H72 N48 O32 Zn8 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0476","0.0297","","","0.1041","0.1383","","","","","","1.098","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209996","15.1894","0.0004","12.7155","0.0003","16.4353","0.0004","90","","90","","90","","3174.33","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H22 As2 Br2.43 Cl1.56 N4 S8 Sn2 -","- C12 H22 As2 Br2.434 Cl1.56 N4 S8 Sn2 -","- C48 H88 As8 Br9.736 Cl6.24 N16 S32 Sn8 -","4","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0471","0.0314","","","0.0641","0.0706","","","","","","1.005","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209998","6.875","0.0011","6.9872","0.0011","30.188","0.005","90","","90","","90","","1450.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0552","0.0428","","","0.0863","0.0916","","","","","","1.094","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210006","16.1814","0.0015","10.4831","0.0009","18.8326","0.0016","90","","90","","90","","3194.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H24 N2 O5 -","- C13 H24 N2 O5 -","- C104 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0688","0.0452","","","0.1045","0.1142","","","","","","1.271","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210007","9.4323","0.001","19.848","0.002","20.122","0.002","90","","90","","90","","3767.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C144 H208 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0778","0.0562","","","0.127","0.137","","","","","","1.163","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210024","8.2221","0.0001","11.5994","0.0002","31.6633","0.0004","90","","90","","90","","3019.77","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H7 Ag F7 N3 O3 -","- C13 H7 Ag F7 N3 O3 -","- C104 H56 Ag8 F56 N24 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0444","0.0286","","","0.0693","0.0743","","","","","","1.07","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210026","7.3177","0.0001","12.7615","0.0001","29.9513","0.0004","90","","90","","90","","2797","0.06","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Ag Cl F4 N3 O5 -","- C11 H7 Ag Cl F4 N3 O5 -","- C88 H56 Ag8 Cl8 F32 N24 O40 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0209","0.0187","","","0.0457","0.0466","","","","","","1.094","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210135","6.7183","0.0002","18.3065","0.0004","31.5007","0.0008","90","","90","","90","","3874.23","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Ge N3 O S6 Sb2 -","- C7 H21 Ge N3 O S6 Sb2 -","- C56 H168 Ge8 N24 O8 S48 Sb16 -","8","1","","Feng, Mei-Ling; Hu, Chun-Li; Wang, Kai-Yao; Du, Cheng-Feng; Huang, Xiao-Ying","[AEPH2][GeSb2S6]·CH3OH: a thiogermanate‒thioantimonate featuring an infinite ribbon-like structure with an unusual {GeSb3S11} unit and exhibiting the ability of photocatalytic degradation of organic dye","CrystEngComm","2013","15","25","5007","","10.1039/c3ce40143j","","","0.71073","MoKα","","0.0667","0.0384","","","0.06","0.0678","","","","","","1.015","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210214","12.405","0.004","6.948","0.002","31.402","0.011","90","","90","","90","","2706.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,4-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.075","0.0685","","","0.1856","0.1904","","","","","","1.292","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210274","10.8122","0.001","11.1482","0.0011","31.445","0.003","90","","90","","90","","3790.3","0.6","248","2","248","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl3 Cu N6 O10 -","- C10 H13 Cl3 Cu N6 O10 -","- C80 H104 Cl24 Cu8 N48 O80 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0477","0.0358","","","0.0938","0.1004","","","","","","1.02","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210322","20.282","0.001","22.034","0.001","20.6546","0.0008","90","","90","","90","","9230.4","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cr N11 O9 -","- C50 H36 Cr N11 O9 -","- C400 H288 Cr8 N88 O72 -","8","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.1754","0.095","","","0.2255","0.2858","","","","","","0.99","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210448","11.116","0","5.81","0","46.919","0.001","90","","90","","90","","3030.21","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 Na O6 S -","- C13 H8 N2 Na O6 S -","- C104 H64 N16 Na8 O48 S8 -","8","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco","Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.","Physical chemistry chemical physics : PCCP","2013","15","32","13418","13433","10.1039/c3cp51235e","","","0.71073","MoKα","","0.2403","0.1192","","","0.2176","0.2497","","","","","","1.066","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210452","15.0238","0.0016","11.6122","0.001","20.9195","0.0019","90","","90","","90","","3649.6","0.6","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H14 Cl3 N6 O P S3 -","- C9 H12 Cl3 N6 O P S3 -","- C72 H96 Cl24 N48 O8 P8 S24 -","8","1","","García-Álvarez, Rocío; Zablocka, Maria; Crochet, Pascale; Duhayon, Carine; Majoral, Jean-Pierre; Cadierno, Victorio","Thiazolyl-phosphine hydrochloride salts: effective auxiliary ligands for ruthenium-catalyzed nitrile hydration reactions and related amide bond forming processes in water","Green Chemistry","2013","15","9","2447","","10.1039/c3gc41201f","","","0.71073","MoKα","","0.0953","0.0588","","0.0941","0.0708","0.0708","","","","","","1.1169","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210470","9.993","0.005","20.997","0.01","22.177","0.011","90","","90","","90","","4653","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cd3 N6 O16 -","- C15 H12 Cd3 N6 O16 -","- C120 H96 Cd24 N48 O128 -","8","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0791","0.0623","","","0.1474","0.1685","","","","","","1.109","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210521","19.219","0.003","11.4306","0.0012","19.51","0.003","90","","90","","90","","4286","1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0774","0.0443","","","0.1007","0.1111","","","","","","1.066","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210530","14.4171","0.0008","8.0418","0.0004","31.454","0.002","90","","90","","90","","3646.8","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0867","0.0364","","","0.0629","0.076","","","","","","0.991","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210531","14.4059","0.0011","7.9797","0.0003","31.467","0.002","90","","90","","90","","3617.3","0.4","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0817","0.04","","","0.0705","0.0839","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210532","14.3893","0.0012","7.9176","0.0004","31.485","0.003","90","","90","","90","","3587","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0891","0.0431","","","0.0699","0.0824","","","","","","0.975","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210533","14.3879","0.0013","7.8591","0.0008","31.494","0.003","90","","90","","90","","3561.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0596","0.0353","","","0.0696","0.0777","","","","","","1.031","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210534","14.3623","0.0006","7.823","0.0004","31.5402","0.0013","90","","90","","90","","3543.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0464","0.0335","","","0.0797","0.0845","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210535","14.384","0.0005","7.7638","0.0003","31.8297","0.0011","90","","90","","90","","3554.6","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0678","0.0515","","","0.132","0.1371","","","","","","1.276","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210536","14.365","0.0005","7.7434","0.0002","31.8361","0.001","90","","90","","90","","3541.25","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0388","0.032","","","0.0717","0.0744","","","","","","1.125","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210570","10.135","0.003","13.562","0.004","20.655","0.006","90","","90","","90","","2839","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br2 N6 O Zn -","- C10 H10 Br2 N6 O Zn -","- C80 H80 Br16 N48 O8 Zn8 -","8","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1206","0.0717","","","0.1684","0.1937","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210631","16.2835","0.0005","7.8798","0.0002","19.1588","0.0005","90","","90","","90","","2458.28","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 O6 P2 -","- C11 H12 O6 P2 -","- C88 H96 O48 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0973","0.0447","","","0.1058","0.1271","","","","","","1.002","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210754","9.4237","0.0004","7.8685","0.0004","19.5593","0.001","90","","90","","90","","1450.33","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.039","","","0.1072","0.1122","","","","","","1.069","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210755","10.5091","0.0002","9.4298","0.0002","15.1828","0.0005","90","","90","","90","","1504.6","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0453","0.0408","","","0.1103","0.1144","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210756","12.1758","0.0005","9.4952","0.0005","12.9071","0.0007","90","","90","","90","","1492.21","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0532","0.0381","","","0.091","0.0988","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210757","9.4117","0.0004","7.7523","0.0003","20.2204","0.0007","90","","90","","90","","1475.33","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0377","","","0.094","0.0968","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210760","9.6701","0.0005","9.2755","0.0004","19.8362","0.0011","90","","90","","90","","1779.21","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0477","0.0424","","","0.1163","0.1205","","","","","","1.068","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210761","9.509","0.005","9.299","0.005","16.435","0.009","90","","90","","90","","1453.3","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0702","0.0452","","","0.1125","0.1502","","","","","","1.109","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210763","9.783","0.0006","9.5402","0.0006","15.4045","0.0009","90","","90","","90","","1437.73","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0496","0.041","","","0.1248","0.1474","","","","","","1.127","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210764","10.9014","0.0005","9.9282","0.0004","13.308","0.0006","90","","90","","90","","1440.34","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0433","0.0359","","","0.0924","0.0972","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211077","12.6015","0.0003","23.5649","0.0004","23.6458","0.0005","90","","90","","90","","7021.7","0.3","123.01","0.15","123.01","0.15","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H94 Cl2 Fe N10 O20 S2 -","- C58 H94 Cl2 Fe N10 O20 S2 -","- C232 H376 Cl8 Fe4 N40 O80 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","1.5418","CuKα","","0.0735","0.0503","","","0.1315","0.1434","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211107","14.4685","0.0012","22.858","0.003","23.048","0.003","90","","90","","90","","7622.5","1.5","213","2","213","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 6 Chloroform","","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C192 H248 Cd8 Cl72 F24 N72 S8 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0687","0.0577","","","0.1557","0.1624","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211193","9.19","0.004","20.588","0.009","24.602","0.011","90","","90","","90","","4655","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H60 Cu8 N24 O0 S16 -","- C76 H60 Cu8 N24 S16 -","- C152 H120 Cu16 N48 S32 -","2","0.25","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.71073","MoKα","","0.1654","0.0593","","","0.0912","0.1229","","","","","","1.005","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211319","17.2201","0.0016","15.7615","0.0014","19.2134","0.0018","90","","90","","90","","5214.8","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Cl6 Fe N O4 -","- C25 H20 Cl6 Fe N O4 -","- C200 H160 Cl48 Fe8 N8 O32 -","8","1","","Taherimehr, Masoumeh; Al-Amsyar, Syed M.; Whiteoak, Christopher J.; Kleij, Arjan W.; Pescarmona, Paolo P.","High activity and switchable selectivity in the synthesis of cyclic and polymeric cyclohexene carbonates with iron amino triphenolate catalysts","Green Chemistry","2013","15","11","3083","","10.1039/c3gc41303a","","","0.71073","MoKα","","0.0588","0.0381","","","0.0823","0.0925","","","","","","1.04","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211321","12.8287","0.0003","7.9789","0.0003","24.2643","0.0009","90","","90","","90","","2483.67","0.14","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0525","0.0438","","","0.1128","0.1191","","","","","","1.032","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211490","14.5748","0.0014","7.2463","0.0007","24.444","0.002","90","","90","","90","","2581.6","0.4","15","","15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N2 P S2 -","- C14 H9 N2 P S2 -","- C112 H72 N16 P8 S16 -","8","1","","Hey, Jakob; Leusser, Dirk; Kratzert, Daniel; Fliegl, Heike; Dieterich, Johannes M.; Mata, Ricardo A.; Stalke, Dietmar","Heteroaromaticity approached by charge density investigations and electronic structure calculations.","Physical chemistry chemical physics : PCCP","2013","15","47","20600","20610","10.1039/c3cp53756k","","","0.71073","MoKα","","0.015","0.015","","","","0.029","","","","","","1.434","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211496","12.2357","0.0012","7.5855","0.0008","31.232","0.003","90","","90","","90","","2898.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(dimorpholinomethyl)phenol","2-(dimorpholinomethyl)phenol","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis","Green Chemistry","2010","12","6","1036","","10.1039/b905153h","","","0.71073","MoKα","","0.0792","0.0661","","","0.1404","0.1466","","","","","","1.268","","","","has coordinates","287896","2023-11-30","16:33:03",""
"7211589","8.8764","0.0006","17.0724","0.0011","43.44","0.003","90","","90","","90","","6583","0.8","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cu2 N4 O16 P3 V3 -","- C26 H19 Cu2 N4 O16 P3 V3 -","- C208 H152 Cu16 N32 O128 P24 V24 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0732","0.0622","","","0.1259","0.1304","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211715","15.809","0.007","16.566","0.008","21.461","0.008","90","","90","","90","","5620","4","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","tetraethylammonium thiocyanate, bis[(1,2-diiodo)tetrafluorobenzene]","","- C21 H20 F8 I4 N2 S -","- C21 H20 F8 I4 N2 S -","- C168 H160 F64 I32 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.077","0.0518","","","0.126","0.1418","","","","","","0.988","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211786","9.3044","0.0009","15.8623","0.0015","18.9924","0.0018","90","","90","","90","","2803.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 I3 N O5 -","- C8 H6 I3 N O5 -","- C64 H48 I24 N8 O40 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0366","0.0328","","","0.0739","0.0755","","","","","","1.129","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211788","19.892","0.004","16.078","0.003","28.362","0.006","90","","90","","90","","9071","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Co2 Mo8 N10 O48 P V6 -","- C60 H32 Co2 Mo8 N10 O48 P V6 -","- C240 H128 Co8 Mo32 N40 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0865","0.0576","","","0.1466","0.169","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211789","19.809","0.004","16.058","0.003","28.211","0.006","90","","90","","90","","8974","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Mo8 N10 Ni2 O48 P V6 -","- C60 H32 Mo8 N10 Ni2 O48 P V6 -","- C240 H128 Mo32 N40 Ni8 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0725","0.0521","","","0.1349","0.1501","","","","","","1.061","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211821","23.426","0.005","20.471","0.005","29.406","0.005","90","0.005","90","0.005","90","0.005","14102","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 Nd3 O72 W12 -","- C21 H29 N3 Nd3 O72 W12 -","- C168 H232 N24 Nd24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0647","0.0435","","","0.0992","0.1057","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211822","23.44","0.005","20.489","0.005","29.486","0.005","90","0.005","90","0.005","90","0.005","14161","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O72 Pr3 W12 -","- C21 H29 N3 O72 Pr3 W12 -","- C168 H232 N24 O576 Pr24 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1019","0.0506","","","0.0945","0.1122","","","","","","1.012","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211823","23.472","0.005","20.489","0.005","29.669","0.005","90","0.005","90","0.005","90","0.005","14268","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Ce3 N3 O72 W12 -","- C21 H29 Ce3 N3 O72 W12 -","- C168 H232 Ce24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0881","0.048","","","0.1039","0.1239","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211824","23.556","0.005","20.499","0.005","29.823","0.005","90","0.005","90","0.005","90","0.005","14401","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 La3 N3 O72 W12 -","- C21 H29 La3 N3 O72 W12 -","- C168 H232 La24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0768","0.0559","","","0.1354","0.1495","","","","","","1.068","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211942","13.3293","0.0019","13.1137","0.0016","14.023","0.002","90","","90","","90","","2451.2","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Oxalic acid & 2-methylimidazole","Oxalic acid & 2-methylimidazole","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C80 H112 N32 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1189","0.0906","","","0.1593","0.1693","","","","","","1.244","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211952","9.0116","0.0001","18.168","0.0003","28.8665","0.0005","90","","90","","90","","4726.1","0.12","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Au O P -","- C29 H24 Au O P -","- C232 H192 Au8 O8 P8 -","8","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1257","0.0737","","","0.1497","0.1794","","","","","","1.26","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211954","6.8958","0.0003","5.8147","0.0003","15.8331","0.0008","90","","90","","90","","634.86","0.05","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H Cd O3 -","- C2 H Cd O3 -","- C16 H8 Cd8 O24 -","8","1","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0251","0.02","","","0.0441","0.0447","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211979","5.3783","0.0012","11.086","0.003","13.58","0.004","90","","90","","90","","809.7","0.4","164","2","164","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C16 H40 N40 -","8","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.1038","0.0416","","","0.101","0.1096","","","","","","0.91","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212007","9.2206","0.0004","8.8513","0.0004","31.9795","0.0015","90","","90","","90","","2610","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium)tetraiodoplumbste(ii)","bis(6-iodohexylammonium)tetraiodoplumbste(II)","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0425","0.0334","","","0.089","0.1032","","","","","","1.175","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212066","14.744","0.0003","13.7417","0.0003","16.812","0.0004","90","","90","","90","","3406.24","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl2 N4 O8 -","- C11 H18 Cl2 N4 O8 -","- C88 H144 Cl16 N32 O64 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0697","0.0488","","","0.1342","0.1478","","","","","","1.047","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212068","8.2313","0.0003","16.1062","0.0007","17.0904","0.0007","90","","90","","90","","2265.76","0.16","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0571","0.0457","","","0.1264","0.1337","","","","","","1.117","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212069","15.3698","0.0009","13.6543","0.0008","18.7565","0.0012","90","","90","","90","","3936.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 F6 N4 O4 -","- C15 H18 F6 N4 O4 -","- C120 H144 F48 N32 O32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0796","0.0586","","","0.1563","0.1714","","","","","","1.041","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212109","16.7617","0.0002","16.457","0.0002","19.1902","0.0002","90","","90","","90","","5293.56","0.11","210","2","210","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Ag Cl N6 O4 -","- C26 H20 Ag Cl N6 O4 -","- C208 H160 Ag8 Cl8 N48 O32 -","8","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0443","0.0314","","","0.0805","0.0876","","","","","","1.014","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212128","13.0165","0.0005","9.4458","0.0005","18.5173","0.0007","90","","90","","90","","2276.73","0.17","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H17 I N2 -","- C9 H17 I N2 -","- C72 H136 I8 N16 -","8","1","","Cui, Yugang; Biondi, Ilaria; Chaubey, Manish; Yang, Xue; Fei, Zhaofu; Scopelliti, Rosario; Hartinger, Christian G.; Li, Yongdan; Chiappe, Cinzia; Dyson, Paul J.","Nitrile-functionalized pyrrolidinium ionic liquids as solvents for cross-coupling reactions involving in situ generated nanoparticle catalyst reservoirs.","Physical chemistry chemical physics : PCCP","2010","12","8","1834","1841","10.1039/b920025h","","","0.71073","MoKα","","0.0409","0.0302","","","0.0641","0.0719","","","","","","1.135","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212178","14.688","0.003","12.574","0.003","12.574","0.003","90","","90","","90","","2322.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.1393","0.0527","","","0.0878","0.1133","","","","","","0.954","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212179","8.914","0.005","13.613","0.005","18.028","0.006","90","","90","","90","","2187.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0432","0.0306","","","0.0746","0.0803","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212233","11.7861","0.0005","7.229","0.0003","23.2069","0.0009","90","","90","","90","","1977.27","0.14","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0357","0.0322","","","0.0855","0.0893","","","","","","1.059","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212249","17.3784","0.0004","21.2929","0.0006","21.9656","0.0005","90","","90","","90","","8128.1","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H35.5 Cd2 N2 O12.75 -","- C43 H30.5 Cd2 N2 O12.75 -","- C344 H244 Cd16 N16 O102 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.0768","0.0507","","","0.1287","0.1445","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212252","18.56","0.002","20.499","0.002","20.761","0.003","90","","90","","90","","7898.8","1.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cd N2 O11 -","- C42 H46 Cd N2 O11 -","- C336 H368 Cd8 N16 O88 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.081","0.0647","","","0.1482","0.1599","","","","","","1.078","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212337","15.236","0.0006","10.8257","0.0004","20.7997","0.0008","90","","90","","90","","3430.7","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,5-diamino-1H-tetrazol-4-ium 5-nitrotetrazol-1-ide","","- C2 H5 N11 O2 -","- C2 H5 N11 O2 -","- C32 H80 N176 O32 -","16","2","","Tao, Guo-Hong; Guo, Yong; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic 1,5-diamino-4H-tetrazolium nitro-substituted azolates","Journal of Materials Chemistry","2010","20","15","2999","","10.1039/b925267c","","","1.54178","CuKα","","0.0358","0.0343","","","0.0974","0.0989","","","","","","1.039","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212428","12.3001","0.001","11.1003","0.0009","43.003","0.004","90","","90","","90","","5871.4","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Ag3 N9 O12 S -","- C19 H28 Ag3 N9 O12 S -","- C152 H224 Ag24 N72 O96 S8 -","8","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.0503","0.0364","","","0.092","0.1014","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212486","6.9446","0.0019","7.0471","0.0019","30.246","0.008","90","","90","","90","","1480.2","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0518","0.0404","","","0.1291","0.1485","","","","","","1.089","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212491","8.5689","0.0015","11.0491","0.0019","17.529","0.003","90","","90","","90","","1659.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzylammonium formate","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0318","0.0294","","","0.0807","0.083","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212547","11.52","0.0004","14.4315","0.0007","18.012","0.003","90","","90","","90","","2994.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0576","0.0389","","0.1091","0.0944","0.1091","","","","","","0.9194","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212548","11.2728","0.0008","13.8681","0.0011","18.219","0.004","90","","90","","90","","2848.2","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0496","0.032","","0.0887","0.0777","0.0887","","","","","","0.8574","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212549","11.1332","0.0005","13.4098","0.0007","18.367","0.002","90","","90","","90","","2742.1","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0557","0.033","","0.0921","0.0772","0.0921","","","","","","0.9629","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212550","11.716","0.007","14.713","0.009","17.934","0.011","90","","90","","90","","3091","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.71073","MoKα","","0.0525","0.0332","","0.072","0.0632","0.072","","","","","","1.0554","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212581","15.5338","0.0004","16.0601","0.0005","17.2227","0.0006","90","","90","","90","","4296.6","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5-Pyrimidylethynide-CF3CO2Ag","","","- C12 H9 Ag4 F9 N2 O9 -","- C12 H9 Ag4 F9 N2 O9 -","- C96 H72 Ag32 F72 N16 O72 -","8","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0548","0.0395","","","0.0855","0.0892","","","","","","0.945","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212647","13.416","0.0013","20.1202","0.0018","30.775","0.003","90","","90","","90","","8307.2","1.4","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H33 Co F18 N7 O2 P3 -","- C36 H33 Co F18 N7 O2 P3 -","- C288 H264 Co8 F144 N56 O16 P24 -","8","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.045","0.0381","","0.1291","0.0593","0.0507","","","","","","1.1507","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212713","16.8676","0.0018","22.335","0.002","40.007","0.004","90","","90","","90","","15072","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H43 Mo12 N5 O40 P Zn4 -","- C22 H43 Mo12 N5 O40 P Zn4 -","- C176 H344 Mo96 N40 O320 P8 Zn32 -","8","1","","Rodriguez Albelo, L. Marleny; Ruiz-Salvador, A Rabdel; Lewis, Dewi W.; Gómez, Ariel; Mialane, Pierre; Marrot, Jérome; Dolbecq, Anne; Sampieri, Alvaro; Mellot-Draznieks, Caroline","Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach.","Physical chemistry chemical physics : PCCP","2010","12","30","8632","8639","10.1039/c004234j","","","0.71073","MoKα","","0.0504","0.0428","","","0.148","0.1528","","","","","","1.158","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212748","13.8475","0.0002","19.8474","0.0002","27.5","0.0004","90","","90","","90","","7558.01","0.17","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C336 H336 As16 Au16 Cl16 -","16","2","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1032","0.0674","","","0.1647","0.1894","","","","","","1.206","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212830","13.8781","0.0006","14.4748","0.0004","14.8852","0.0007","90","","90","","90","","2990.2","0.2","120","2","120","2","","","","","","","Pepe","5","P b c a","-P 2ac 2ab","61","","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0676","0.0526","","","0.134","0.1431","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212835","9.817","0.0005","9.9754","0.0005","38.6879","0.0017","90","","90","","90","","3788.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N8 -","- C22 H18 N8 -","- C176 H144 N64 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0558","0.0407","","","0.0934","0.1008","","","","","","1.056","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212840","17.4206","0.0004","22.1469","0.0005","24.5102","0.0007","90","","90","","90","","9456.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H37 Cl2 N13 O9 Pb -","- C36 H37 Cl2 N13 O9 Pb -","- C288 H296 Cl16 N104 O72 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0936","0.0623","","","0.1709","0.1832","","","","","","1.123","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212924","7.9273","0.0018","12.057","0.003","20.301","0.004","90","","90","","90","","1940.4","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Mg-MOF-2","","","- C14 H18 Mg2 N2 O14 -","- C14 H18 Mg2 N2 O14 -","- C56 H72 Mg8 N8 O56 -","4","0.5","","Mallick, Arijit; Saha, Subhadeep; Pachfule, Pradip; Roy, Sudip; Banerjee, Rahul","Selective CO2 and H2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites","Journal of Materials Chemistry","2010","20","41","9073","","10.1039/c0jm01125h","","","0.71073","MoKα","","0.0483","0.0461","","","0.1299","0.1324","","","","","","0.816","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212956","14.487","0.002","8.605","0.002","22.048","0.003","90","","90","","90","","2748.5","0.8","293","2","293","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Ling, Ke-Qing; Chen, Xian-Yang; Fun, Hoong-Kun; Huang, Xiao-Ying; Xu, Jian-Hua","Syntheses and electronic structures of benzannelated isoquinolinones and their photoinduced cycloaddition reactions with electron deficient alkenes †","Journal of the Chemical Society, Perkin Transactions 1","1998","","24","4147","","10.1039/a805865b","","","0.71073","MoKα","","0.0846","0.0573","","0.1644","0.1435","","","","1.06","1.13","1.13","","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7213008","11.448","0.005","35.68","0.01","8.632","0.003","90","","90","","90","","3526","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N S8 -","- C15 H9 N S8 -","- C120 H72 N8 S64 -","8","1","","Xu, Wei; Zhang, Deqing; Li, Hongxiang; Zhu, Daoben","New electron donors: BEDT-TTF derivatives bearing a pyridine group; synthesis, crystal structure, electrochemical studies and the formation of charge transfer complexes","Journal of Materials Chemistry","1999","9","6","1245","","10.1039/a900063a","","","0.71069","MoKα","","0.1036","0.0646","","0.2756","0.1956","","","","1.004","1.101","1.101","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213046","16.008","0.003","15.932","0.003","9.647","0.002","90","","90","","90","","2460.4","0.8","293","2","293","2","","","","","","","synthesized at Adam Mickiewicz University","4","P b c a","-P 2ac 2ab","61","5-(N-piperidine)valeric acid dihydrate","","","- C10 H23 N O4 -","- C10 H23 N O4 -","- C80 H184 N8 O32 -","8","1","","Dega-Szafran, Zofia; Katrusiak, Andrzej; Szafran, Mirosław","Conformations of, and NHO hydrogen bond in, piperidine-1-valeric acid and its dihydrate","Journal of the Chemical Society, Perkin Transactions 2","1999","","9","1967","","10.1039/a901635j","","","1.54178","CuKα","","0.0873","0.0612","","0.207","0.1973","","","","1.1","0.894","0.894","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213134","5.3646","0.0005","13.6245","0.0014","22.377","0.002","90","","90","","90","","1635.5","0.3","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N O -","- C11 H7 N O -","- C88 H56 N8 O8 -","8","1","","McNab, Hamish; Parsons, Simon; Stevenson, Elizabeth","Pyrolytic cascades: a convenient entry to 5H-pyrrolo[2,1-a]isoindol-5-ones and related heterocyclic systems","Journal of the Chemical Society, Perkin Transactions 1","1999","","15","2047","","10.1039/a904885e","","","1.54178","CuKα","","0.0442","0.0357","","0.0964","0.0906","","","","1.026","1.063","1.063","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213139","21.343","0.003","20.316","0.002","7.5398","0.0007","90","","90","","90","","3269.3","0.6","296.7","","296.7","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","1","","Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi","8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †","Journal of the Chemical Society, Perkin Transactions 1","1999","","24","3677","","10.1039/a905161i","","","0.7107","MoKα","","0.0367","0.0367","","0.0596","0.0466","0.0466","","","1.165","","","1.226","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213170","11.761","0.002","19.813","0.003","23.024","0.003","90","","90","","90","","5365.1","1.4","295","2","295","2","","","","","","","See manuscript","5","P b c a","-P 2ac 2ab","61","","","","- C29 H35 O3 P Si -","- C29 H35 O3 P Si -","- C232 H280 O24 P8 Si8 -","8","1","","Feeder, Neil; Hutton, Gordon; Nelson, Adam; Warren, Stuart","Stereoselective intramolecular acylation of γ′-benzoyloxyphosphine oxides with an internal chlorotrimethylsilane trap: isolation of silylated tetrahedral intermediates","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3413","","10.1039/a907320e","","","0.71073","MoKα","","0.1928","0.0558","","0.1692","0.1123","","","","0.967","1.084","1.084","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213179","26.623","0.002","11.443","0.003","10.698","0.002","90","","90","","90","","3259.1","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C144 H176 Cl8 N8 O16 -","8","1","","Tähtinen, Petri; Sillanpää, Reijo; Stájer, Géza; Szabó, Angela E.; Pihlaja, Kalevi","NMR and X-ray structural study of saturated ( p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2011","","10.1039/a905445f","","","0.71069","MoKα","","0.1465","0.0526","","","0.0968","0.1184","","","","","","1.024","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213216","14.056","0.003","13.921","0.003","18.25","0.004","90","","90","","90","","3571","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1-(2'-Difluoroboryloxy-4'-methoxyphenyl)-2-(4""-methoxyphenyl)-3- (N,N'-dimethyl)]-2-propen-1-dione","","- C19 H20 B F2 N O4 -","- C19 H20 B F2 N O4 -","- C152 H160 B8 F16 N8 O32 -","8","1","","Balasubramanian, Sreenivasan; Ward, Donald L.; Nair, Muraleedharan G.","The first isolation and crystal structure of a boron difluoro complex (isoflavone yellow). Biologically active intermediates produced during isoflavone synthesis","Journal of the Chemical Society, Perkin Transactions 1","2000","","4","567","","10.1039/a908915b","","","0.71073","MoKα","","0.0704","0.0494","","","0.0877","0.0947","","","","","","1.152","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213221","11.8635","0.0008","13.2643","0.0009","18.9431","0.0014","90","","90","","90","","2980.9","0.4","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C160 H144 N16 -","8","1","","Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O.","Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions","Journal of the Chemical Society, Perkin Transactions 1","2000","","7","1139","","10.1039/a909516k","","","1.5418","CuKα","","0.05","0.046","","","0.1161","0.1189","","","","","","1.113","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213246","7.39","0.002","15.477","0.002","33.858","0.002","90","","90","","90","","3872.5","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-(triphenylmethyl)benzoic acid, unsolvated form","","","- C26 H20 O2 -","- C26 H20 O2 -","- C208 H160 O16 -","8","1","","Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini","4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1223","","10.1039/a909827e","","","0.71073","MoKα","","0.16","0.0494","","0.089","0.0529","","","","","1.37","1.37","","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213257","15.857","0.003","17.205","0.002","13.287","0.002","90","","90","","90","","3625","1","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl4 O4 -","- C14 H18 Cl4 O4 -","- C112 H144 Cl32 O32 -","8","1","","Ohkita, Masakazu; Sano, Kieko; Dohba, Sotoyuki; Fujita, Yuko; Suzuki, Takanori; Tsuji, Takashi","A 2,3,5,6-tetramethylenebicyclo[2.2.0]hexane derivative: a novel bisdiene molecule that produces a Dewar benzene skeleton upon two successive Diels‒Alder reactions with dienophiles","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1971","","10.1039/b000569j","","","0.7107","MoKα","","0.043","0.043","","","0.0547","0.0547","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213261","12.404","0.001","19.6149","0.0008","16.222","0.002","90","","90","","90","","3946.9","0.6","293.2","","293.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C168 H232 N8 O16 -","8","1","","Clayden, Jonathan; Westlund, Neil; Beddoes, Roy L.; Helliwell, Madeleine","Atroposelective attack of nucleophiles and electrophiles on 2-acyl-1-naphthamides and their enolates","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1351","","10.1039/b000668h","","","1.5418","CuKα","","0.0844","0.0569","","0.0468","0.0454","","","","2.669","3.098","3.098","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"7213264","16.219","0.003","11.966","0.003","18.823","0.003","90","","90","","90","","3653.1","1.3","123","1","123","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","RWX0315/Wilson/NW-G012/5107/16-7-98.","","","- C20 H28 N2 O -","- C20 H28 N2 O -","- C160 H224 N16 O8 -","8","1","","Clayden, Jonathan; McCarthy, Catherine; Westlund, Neil; Frampton, Christopher S.","Atroposelective attack of nucleophiles on 2-formyl-1-naphthamides and their derivatives: chelation and non-chelation control","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1363","","10.1039/b000669f","","","0.71073","MoKα","","0.0473","0.0394","","","0.0965","0.1014","","","","","","1","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213304","7.176","0.001","17.805","0.004","20.947","0.004","90","","90","","90","","2676.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","Jones, Raymond C. F.; Dimopoulos, Paschalis; Coles, Simon C.; Light, Mark E.; Hursthouse, Michael B.","Synthesis of imidazo[1,2-a]pyridines from unactivated 2-alkyl-4,5-dihydroimidazoles through conjugate N-addition","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2331","","10.1039/b001830i","","","0.71073","MoKα","","0.1387","0.0576","","","0.1218","0.1595","","","","","","0.815","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213324","14.34","0.001","11.781","0.001","22.032","0.001","90","","90","","90","","3722.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 F6 N4 S2 -","- C12 H24 F6 N4 S2 -","- C96 H192 F48 N32 S16 -","8","1","","Kolomeitsev, Alexander; Médebielle, Maurice; Kirsch, Peer; Lork, Enno; Röschenthaler, Gerd-Volker","Synthesis, structure and reactivity of a trifluoromethyl sulfide anionic salt stabilized with tetrakis(dimethylamino)ethylene dication (TDAE2+)","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2183","","10.1039/b002252g","","","0.71073","MoKα","","0.0592","0.0416","","","0.0854","0.0933","","","","","","1.039","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213334","17.394","0.006","23.82","0.006","27.882","0.007","90","","90","","90","","11552","6","120","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","11,23-dibromo- 25,26,27,28-tetrapropoxycalix[4]arene- 5,17-dicarboxylic acid- bis-diethylamine salt","","- C51.5 H70.5 Br2 Cl N2.5 O8 -","- C51.4 H69.4 Br2 Cl1.2 N2.4 O8 -","- C411.2 H555.2 Br16 Cl9.6 N19.2 O64 -","8","1","","Krebs, Frederik C.; Jørgensen, Mikkel","Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach","Journal of the Chemical Society, Perkin Transactions 2","2000","","9","1935","","10.1039/b002409k","","","0.71073","MoKα","","0.3482","0.1662","","","0.3302","0.424","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213427","12.9858","0.0004","11.7576","0.0003","25.6292","0.0008","90","","90","","90","","3913.1","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 B N O4 -","- C20 H28 B N O4 -","- C160 H224 B8 N8 O32 -","8","1","","Green, Stuart; Nelson, Adam; Warriner, Stuart; Whittaker, Benjamin","Synthesis and investigation of the configurational stability of some dimethylammonium borate salts","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4403","","10.1039/b005954o","","","1.54184","CuKα","","0.0582","0.0415","","","0.0991","0.1098","","","","","","1.086","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00",""
"7213469","14.345","0.006","20.103","0.006","10.291","0.008","90","","90","","90","","2968","3","113.2","","113.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213491","11.3218","0.0013","17.9","0.002","24.468","0.004","90","","90","","90","","4958.7","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H30 F6 N2 O7 S2 -","- C16 H30 F6 N2 O7 S2 -","- C128 H240 F48 N16 O56 S16 -","8","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0914","0.0472","","0.1086","","0.0841","","","1.134","","","1.123","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213607","12.0822","0.0008","23.676","0.0016","29.4806","0.0019","90","","90","","90","","8433.2","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 N4 O4 Zn -","- C37 H28 N4 O4 Zn -","- C296 H224 N32 O32 Zn8 -","8","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0961","0.0707","","","0.1843","0.1966","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213671","18.563","0.0009","12.6014","0.0006","19.9775","0.001","90","","90","","90","","4673.1","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu N4 O2 -","- C24 H22 Cl2 Cu N4 O2 -","- C192 H176 Cl16 Cu8 N32 O16 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.044","0.0337","","","0.0828","0.0897","","","","","","1.049","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213723","16.1013","0.0004","12.1614","0.0002","18.9485","0.0005","90","","90","","90","","3710.39","0.15","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C144 H104 Cl8 Cu8 N32 O48 -","8","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0578","0.0419","","","0.1155","0.1275","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213834","16.484","0.003","14.875","0.003","26.826","0.005","90","","90","","90","","6578","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N3 O24 Sr2 Zn -","- C21 H31 N3 O24 Sr2 Zn -","- C168 H248 N24 O192 Sr16 Zn8 -","8","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0354","0.0248","","","0.0551","0.0586","","","","","","1.027","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213925","17.0057","0.0011","12.7153","0.0004","9.1321","0.0003","90","","90","","90","","1974.66","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N5 O7 -","- C5 H11 N5 O7 -","- C40 H88 N40 O56 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0301","0.0283","","","0.0747","0.0757","","","","","","1.081","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213940","14.9603","0.0011","17.1932","0.0013","27.477","0.002","90","","90","","90","","7067.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H62 N8 O22 Zn5 -","- C74 H52 N8 O22 Zn5 -","- C296 H208 N32 O88 Zn20 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0847","0.0406","","","0.0863","0.1031","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213956","16.821","0.0012","19.1858","0.0014","20.6555","0.0015","90","","90","","90","","6666","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cu N5 O8 -","- C33 H33 Cu N5 O8 -","- C264 H264 Cu8 N40 O64 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1506","0.0658","","","0.1512","0.1747","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213967","16.466","0.003","15.188","0.003","25.146","0.005","90","","90","","90","","6289","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Co2 N2 O9 -","- C37 H28 Co2 N2 O9 -","- C296 H224 Co16 N16 O72 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0363","0.0308","","","0.0762","0.0799","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214014","10.5204","0.0007","8.7184","0.0006","33.531","0.002","90","","90","","90","","3075.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0656","0.0509","","","0.1385","0.1495","","","","","","1.018","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214016","10.6279","0.0009","8.7139","0.0007","33.989","0.003","90","","90","","90","","3147.7","0.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C144 H128 Br8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0913","0.0524","","","0.112","0.1274","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214071","9.6844","0.0006","10.0511","0.0006","21.3621","0.0014","90","","90","","90","","2079.4","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 S2 -","- C11 H8 N2 S2 -","- C88 H64 N16 S16 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0438","0.042","","","0.1137","0.115","","","","","","1.128","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214223","9.2037","0.0003","7.9073","0.0002","29.7366","0.0013","90","","90","","90","","2164.12","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Mn O5 -","- C10 H10 Mn O5 -","- C80 H80 Mn8 O40 -","8","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.05","0.0321","","","0.065","0.0718","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214249","13.5187","0.0007","7.2436","0.0004","26.014","0.003","90","","90","","90","","2547.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C120 H80 N16 O32 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.1201","0.0779","","","0.1443","0.1613","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214302","13.585","0.004","12.926","0.004","16.012","0.005","90","","90","","90","","2811.7","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.077","0.069","","","0.1744","0.1833","","","","","","0.956","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214304","13.3098","0.0012","12.7949","0.0012","16.0119","0.0015","90","","90","","90","","2726.8","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0615","0.056","","","0.1493","0.1537","","","","","","1.243","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214314","16.1514","0.0005","16.4165","0.0005","24.4814","0.0008","90","","90","","90","","6491.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 Cl3 N2 O8 -","- C33 H31 Cl3 N2 O8 -","- C264 H248 Cl24 N16 O64 -","8","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0837","0.0678","","","0.196","0.215","","","","","","1.284","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214317","24.0752","0.0018","9.9609","0.0007","45.509","0.003","90","","90","","90","","10913.5","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H62 N5 O5 -","- C50 H55 N5 O5 -","- C400 H440 N40 O40 -","8","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","0.71073","MoKα","","0.1058","0.0636","","","0.1759","0.2","","","","","","1.01","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214318","10.899","0.003","10.055","0.003","27.255","0.007","90","","90","","90","","2986.9","1.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Tedesco, Consiglia; Erra, Loredana; Izzo, Irene; De Riccardis, Francesco","Solid state assembly of cyclic α-peptoids","CrystEngComm","2014","16","18","3667","","10.1039/c3ce42456a","","","1.54178","CuKα","","0.073","0.0586","","","0.172","0.2208","","","","","","1.029","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214474","19.9674","0.0005","18.9868","0.0005","30.7298","0.0011","90","","90","","90","","11650.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H43 N12 O18.5 Zn3 -","- C60 H43 N12 O18.5 Zn3 -","- C480 H344 N96 O148 Zn24 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1264","0.0662","","","0.1578","0.1866","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214518","27.665","0.011","21.903","0.007","29.854","0.009","90","","90","","90","","18090","11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H57 N15 O24 Zn3 -","- C90 H57 N15 O24 Zn3 -","- C720 H456 N120 O192 Zn24 -","8","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.138","0.0766","","","0.1852","0.2179","","","","","","0.977","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214627","9.69","0.0006","14.4331","0.0008","29.8442","0.0008","90","","90","","90","","4173.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H22 Mn2 N2 O17 P2 -","- C9 H22 Mn2 N2 O17 P2 -","- C72 H176 Mn16 N16 O136 P16 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0486","0.0382","","","0.0859","0.0902","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214629","11.6964","0.0008","17.7522","0.0004","22.794","0.0012","90","","90","","90","","4732.9","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N1-hexylthymine","1-hexyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C176 H288 N32 O32 -","16","2","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.1085","0.0599","","","0.1795","0.1982","","","","","","1.05","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214653","9.8176","0.0005","17.2416","0.0007","30.5102","0.0014","90","","90","","90","","5164.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C256 H240 B8 N24 O16 -","8","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0663","0.0438","","","0.1281","0.1697","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214716","12.494","0.0006","7.5099","0.0004","22.6355","0.0011","90","","90","","90","","2123.86","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl2 Cu N4 O2 -","- C6 H10 Cl2 Cu N4 O2 -","- C48 H80 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0558","0.0302","","","0.0601","0.0626","","","","","","0.848","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214770","10.6419","0.0003","12.6654","0.0004","22.1187","0.0006","90","","90","","90","","2981.25","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.1321","0.0593","","0.2451","0.1257","0.1134","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214797","17.755","0.004","7.4749","0.0015","18.786","0.004","90","","90","","90","","2493.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0873","0.0522","","","0.1345","0.1495","","","","","","1.044","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214800","16.1492","0.0014","15.1711","0.0013","26.937","0.002","90","","90","","90","","6599.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H54 N4 O18 Zn5 -","- C74 H54 N4 O18 Zn5 -","- C296 H216 N16 O72 Zn20 -","4","0.5","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0741","0.0426","","","0.0945","0.1115","","","","","","1.002","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214831","11.655","0.001","11.6654","0.0003","16.9859","0.0004","90","","90","","90","","2309.4","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-aminopyridinium_6-fluorosalicylate","4-aminopyridinium_6-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C96 H88 F8 N16 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0635","0.0496","","","0.116","0.125","","","","","","1.08","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214928","10.46","0.005","11.536","0.005","42.364","0.019","90","","90","","90","","5112","4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C224 H256 O96 -","16","2","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.0867","0.0513","","","0.117","0.1352","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215055","7.7297","0.0005","14.3257","0.0007","21.704","0.0003","90","","90","","90","","2403.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Be N2 O8 P2 -","- C7 H14 Be N2 O8 P2 -","- C56 H112 Be8 N16 O64 P16 -","8","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.051","0.0429","","","0.093","0.0964","","","","","","1.141","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215086","7.6818","0.001","6.7692","0.0012","18.884","0.003","90","","90","","90","","982","0.3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","5,5-bis(1-hydroxy-tetrazole) dimethanolate","5,5-bis(1-hydroxy-tetrazole) dimethanolate","","- C4 H10 N8 O4 -","- C4 H10 N8 O4 -","- C16 H40 N32 O16 -","4","0.5","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0767","0.0404","","","0.0827","0.0891","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215087","11.66","0.002","8.705","0.0017","18.028","0.003","90","","90","","90","","1829.8","0.6","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dimethylammonium 5-(1-hydroxytetrazolyl)-5-(1-oxidotetrazolate","dimethylammonium 5-(1-hydroxytetrazolyl)-5-(1-oxidotetrazolate","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Fischer, Niko; Fischer, Dennis; Klapötke, Thomas M.; Piercey, Davin G.; Stierstorfer, Jörg","Pushing the limits of energetic materials ‒ the synthesis and characterization of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","Journal of Materials Chemistry","2012","22","38","20418","","10.1039/c2jm33646d","","","0.71073","MoKα","","0.0706","0.0437","","","0.0993","0.1201","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215118","11.7678","0.0014","17.166","0.002","19.269","0.002","90","","90","","90","","3892.5","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Co N3 O4 -","- C21 H19 Co N3 O4 -","- C168 H152 Co8 N24 O32 -","8","1","","Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng","Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties","Journal of Materials Chemistry","2012","22","42","22603","","10.1039/c2jm34349e","","","0.71073","MoKα","","0.0891","0.0395","","","0.0841","0.0942","","","","","","1","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215130","13.994","0.0017","13.6288","0.0018","22.537","0.003","90","","90","","90","","4298.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C192 H192 F8 N24 O56 -","8","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.1252","0.0592","","","0.1332","0.1709","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215149","15.1064","0.0014","13.6928","0.0012","22.126","0.002","90","","90","","90","","4576.7","0.7","121.4","0.1","121.4","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O6 Zn -","- C27 H18 N2 O6 Zn -","- C216 H144 N16 O48 Zn8 -","8","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.075","0.0482","","","0.0968","0.1112","","","","","","1.035","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215212","6.9658","0.0007","18.5806","0.0019","21.667","0.002","90","","90","","90","","2804.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Coordination Polymer","","","- C10 H8 Cd N4 O6 S2 -","- C10 H8 Cd N4 O6 S2 -","- C80 H64 Cd8 N32 O48 S16 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0599","0.0484","","","0.1143","0.1316","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215338","17.0269","0.0004","23.4679","0.0006","6.9207","0.0002","90","","90","","90","","2765.41","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","1.54178","CuKα","","0.0318","0.0308","","","0.088","0.0892","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215363","16.2417","0.0011","10.7616","0.0007","25.6486","0.0017","90","","90","","90","","4483","0.5","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Mn3 N4 O18 -","- C44 H32 Mn3 N4 O18 -","- C176 H128 Mn12 N16 O72 -","4","0.5","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0828","0.0657","","","0.189","0.2036","","","","","","1.031","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215403","12.1286","0.0013","12.9525","0.0013","20.782","0.002","90","","90","","90","","3264.8","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N2 O7.5 P2 Zn -","- C12 H15 N2 O7.5 P2 Zn -","- C96 H120 N16 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0578","0.0368","","","0.0787","0.0881","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215639","14.3163","0.0003","10.7538","0.0003","28.2371","0.0007","90","","90","","90","","4347.23","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cd N5 S3 -","- C19 H19 Cd N5 S3 -","- C152 H152 Cd8 N40 S24 -","8","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0785","0.0466","","","0.0992","0.119","","","","","","0.937","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215642","14.287","0.003","10.751","0.002","34.037","0.007","90","","90","","90","","5228.1","1.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cd N5 S3 -","- C23 H27 Cd N5 S3 -","- C184 H216 Cd8 N40 S24 -","8","1","","Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua","Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores","Journal of Materials Chemistry","2009","19","48","9163","","10.1039/b914656c","","","0.71073","MoKα","","0.0693","0.0413","","","0.1036","0.124","","","","","","1.09","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215656","15.211","0.0003","16.7025","0.0004","21.8821","0.0004","90","","90","","90","","5559.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C96 H328 Co8 Ge16 N72 S48 -","8","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0613","0.0474","","","0.0792","0.0832","","","","","","1.142","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215730","18.212","0.002","19.276","0.002","19.306","0.002","90","","90","","90","","6777.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B18 H36 K10 O75 V12 -","- B18 K10 O75 V12 -","- B72 K40 O300 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0696","0.0621","","","0.194","0.2029","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215779","14.3171","0.0003","17.6113","0.0003","20.4106","0.0003","90","","90","","90","","5146.38","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ag4 I12 N8 -","- C20 H56 Ag4 I12 N8 -","- C80 H224 Ag16 I48 N32 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0484","0.0361","","","0.0785","0.0852","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215812","12.936","0.003","12.022","0.002","14.578","0.003","90","","90","","90","","2267.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C88 H80 Br8 N8 O24 -","8","1","","Zou, You-Quan; Guo, Wei; Liu, Feng-Lei; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Visible-light-induced photocatalytic formyloxylation reactions of 3-bromooxindoles with water and DMF: the scope and mechanism","Green Chemistry","2014","16","8","3787","","10.1039/C4GC00647J","","","0.71073","MoKα","","0.0491","0.0346","","","0.1023","0.1224","","","","","","1.053","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215872","10.565","0.0005","9.85","0.0005","25.1585","0.0018","90","","90","","90","","2618.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 O2 S4 -","- C24 H22 Cd N4 O2 S4 -","- C96 H88 Cd4 N16 O8 S16 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0632","0.041","","","0.0817","0.0899","","","","","","1.077","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215873","11.4651","0.0009","12.8858","0.001","18.191","0.0011","90","","90","","90","","2687.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 S6 -","- C24 H22 Cd N4 S6 -","- C96 H88 Cd4 N16 S24 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0448","0.0346","","","0.0823","0.0868","","","","","","1.097","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215936","11.726","0.005","15.488","0.007","22.317","0.01","90","","90","","90","","4053","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0631","0.0451","","","0.1141","0.1268","","","","","","1.05","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215937","11.939","0.002","15.261","0.003","21.322","0.004","90","","90","","90","","3884.9","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","fluorodimethyl sulfonylhydrazone","fluorodimethyl sulfonylhydrazone","","- C21 H19 F N2 O2 S -","- C21 H19 F N2 O2 S -","- C168 H152 F8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.055","0.0428","","","0.1138","0.1233","","","","","","1.048","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215949","9.8095","0.0015","13.369","0.002","23.858","0.004","90","","90","","90","","3128.8","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Theophylline Orcinol cocrystal dihydrate","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C112 H160 N32 O48 -","8","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0491","0.0381","","","0.1076","0.133","","","","","","1.152","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216119","11.83","0.002","10.034","0.002","17.741","0.004","90","","90","","90","","2105.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag B F4 N2 -","- C8 H10 Ag B F4 N2 -","- C64 H80 Ag8 B8 F32 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0292","0.0228","","","0.0595","0.0638","","","","","","1.02","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216122","13.9083","0.0006","17.7966","0.0007","18.4094","0.0008","90","","90","","90","","4556.7","0.3","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(bpta)(H2O)2(adc)].2H2O","","","- C20 H29 N3 Ni O8 -","- C20 H29 N3 Ni O8 -","- C160 H232 N24 Ni8 O64 -","8","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.065","0.0374","","","0.0777","0.088","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216149","13.7425","0.0009","12.8087","0.0006","16.1475","0.0011","90","","90","","90","","2842.3","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1125","0.0611","","","0.1291","0.1531","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216150","13.7873","0.001","12.8044","0.0007","16.1354","0.0012","90","","90","","90","","2848.5","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.941 O -","- C136 H143.528 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1463","0.0677","","","0.1395","0.1737","","","","","","1.002","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216151","13.8192","0.001","12.7869","0.0008","16.1471","0.0013","90","","90","","90","","2853.3","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.894 O -","- C136 H143.152 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.163","0.0698","","","0.1307","0.1669","","","","","","1.03","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216152","13.4655","0.001","12.5668","0.0009","15.7267","0.001","90","","90","","90","","2661.2","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1237","0.0573","","","0.1189","0.1521","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216153","13.491","0.0009","12.5526","0.0009","15.73","0.001","90","","90","","90","","2663.8","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.927 O -","- C136 H143.416 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1387","0.0684","","","0.1418","0.1779","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216154","13.5452","0.0014","12.5231","0.0013","15.7348","0.0015","90","","90","","90","","2669.1","0.5","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.845 O -","- C136 H142.76 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1602","0.0759","","","0.1675","0.2143","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216155","13.649","0.003","12.434","0.002","15.727","0.002","90","","90","","90","","2669.1","0.8","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.56 O -","- C136 H140.48 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2135","0.1077","","","0.2603","0.3258","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216156","13.8701","0.0012","12.3384","0.0012","15.6455","0.0014","90","","90","","90","","2677.5","0.4","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.138","0.0608","","","0.1258","0.1571","","","","","","1.059","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216157","13.2329","0.0014","12.3822","0.0013","15.3841","0.0013","90","","90","","90","","2520.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1158","0.06","","","0.1064","0.1289","","","","","","1.088","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216158","13.2786","0.0013","12.3373","0.0013","15.3991","0.0013","90","","90","","90","","2522.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.922 O -","- C136 H143.376 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1306","0.0682","","","0.1336","0.161","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216159","13.3379","0.0016","12.2853","0.0017","15.4065","0.0016","90","","90","","90","","2524.5","0.5","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.795 O -","- C136 H142.36 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1706","0.0879","","","0.1843","0.2351","","","","","","1.043","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216160","13.433","0.003","12.206","0.003","15.429","0.002","90","","90","","90","","2529.8","0.9","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.481 O -","- C136 H139.848 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2529","0.1416","","","0.345","0.4121","","","","","","1.055","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216161","13.661","0.0013","12.0155","0.0014","15.4219","0.0014","90","","90","","90","","2531.4","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1294","0.0569","","","0.0928","0.1147","","","","","","1.107","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216162","13.17","0.002","12.292","0.002","15.2402","0.0013","90","","90","","90","","2467.2","0.6","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1464","0.0747","","","0.1669","0.2062","","","","","","1.073","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216163","13.243","0.002","12.235","0.003","15.2564","0.0015","90","","90","","90","","2472","0.8","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.888 O -","- C136 H143.104 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1616","0.0789","","","0.1818","0.2276","","","","","","1.059","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216164","13.288","0.003","12.199","0.003","15.287","0.0017","90","","90","","90","","2478","0.9","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.762 O -","- C136 H142.096 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1992","0.0916","","","0.2002","0.2622","","","","","","1.041","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216175","24.874","0.005","24.355","0.005","26.539","0.005","90","","90","","90","","16077","6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Cs6 N6 O28 Pd3 -","- C60 H54 Cs6 N6 O28 Pd3 -","- C480 H432 Cs48 N48 O224 Pd24 -","8","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.1011","0.0681","","","0.2282","0.2592","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216276","19.763","0.009","13.835","0.004","10.175","0.004","90","","90","","90","","2782.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Phenyl imidazolium hydrogen cyclobutane-1,1-dicarboxylate 1","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0773","0.0438","","","0.0963","0.1069","","","","","","0.952","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216292","12.4638","0.0012","11.6208","0.0012","26.636","0.003","90","","90","","90","","3857.9","0.7","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N5 O2 -","- C21 H19 N5 O2 -","- C168 H152 N40 O16 -","8","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.1009","0.0524","","","0.1343","0.1658","","","","","","1.038","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216306","12.893","0.005","11.621","0.004","19.044","0.007","90","","90","","90","","2853.4","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B Cu F4 N2 S2 -","- C8 H14 B Cu F4 N2 S2 -","- C64 H112 B8 Cu8 F32 N16 S16 -","8","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.04","0.029","","","0.0941","0.1057","","","","","","0.815","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216317","8.848","0.004","17.79","0.007","18.666","0.008","90","","90","","90","","2938","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, RT dataset, 3a)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, RT dataset, 3a)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0851","0.0401","","","0.0755","0.0886","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216318","8.7603","0.0019","17.436","0.004","18.581","0.004","90","","90","","90","","2838.1","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, 120K dataset, 3b)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, 120K dataset, 3b)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0395","0.0317","","","0.0788","0.082","","","","","","1.138","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216362","18.905","0.0002","17.3064","0.0001","31.5699","0.0003","90","","90","","90","","10329","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Br4 Cd N4 O10 -","- C48 H56 Br4 Cd N4 O10 -","- C384 H448 Br32 Cd8 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.097","0.042","","","0.0729","0.0878","","","","","","1.005","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216364","18.7667","0.0002","18.3528","0.0002","31.9417","0.0004","90","","90","","90","","11001.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cd I4 N4 O10 -","- C48 H56 Cd I4 N4 O10 -","- C384 H448 Cd8 I32 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1779","0.082","","","0.1412","0.1701","","","","","","1.016","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216384","18.724","0.007","19.302","0.007","20.004","0.008","90","","90","","90","","7230","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H37 N5 O8 Zn -","- C39 H35 N5 O8 Zn -","- C312 H280 N40 O64 Zn8 -","8","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1127","0.0534","","","0.1175","0.1462","","","","","","1.004","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216399","8.0257","0.0003","19.2831","0.0006","23.3907","0.0007","90","","90","","90","","3620","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C144 H176 Cu8 N16 O48 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0383","0.0346","","","0.0953","0.0989","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216414","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C37 H34 Cl8 O6 -","- C296 H272 Cl64 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.2673","0.1833","","","0.4279","0.4562","","","","","","1.672","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216415","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C33 H30 O6 -","- C264 H240 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1634","0.0817","","","0.1768","0.197","","","","","","1.014","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216434","24.3102","0.0014","18.5783","0.0011","25.6814","0.0015","90","","90","","90","","11598.8","1.2","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag3 Mo12 N24 O41 P S3 -","- C12 H18 Ag3 Mo12 N24 O41 P S3 -","- C96 H144 Ag24 Mo96 N192 O328 P8 S24 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0647","0.0514","","","0.1105","0.1157","","","","","","1.053","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216441","9.6801","0.0002","18.9975","0.0003","21.3644","0.0003","90","","90","","90","","3928.86","0.12","173","0.2","173","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O11 Zr -","- C17 H18 N2 O11 Zr -","- C136 H144 N16 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.057","0.0317","","","0.0664","0.0733","","","","","","0.913","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216498","11.5","0.002","15.191","0.003","12.228","0.002","90","","90","","90","","2136.2","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","none","benzoic acid + 2-aminopyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1054","0.0443","","","0.0929","0.11","","","","","","0.95","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216644","11.8935","0.0005","13.1976","0.0006","33.9681","0.0016","90","","90","","90","","5331.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 N3 P Ru -","- C28 H30 Cl2 N3 P Ru -","- C224 H240 Cl16 N24 P8 Ru8 -","8","1","","Li, Wei; Xie, Jian-Hua; Yuan, Ming-Lei; Zhou, Qi-Lin","Ruthenium complexes of tetradentate bipyridine ligands: highly efficient catalysts for the hydrogenation of carboxylic esters and lactones","Green Chemistry","2014","16","9","4081","","10.1039/C4GC00835A","","","0.71075","MoKα","","0.0705","0.0659","","","0.1255","0.1273","","","","","","1.293","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216786","17.3192","0.0014","14.3739","0.0012","23.819","0.002","90","","90","","90","","5929.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N4 Ni2 O9 -","- C28 H26 N4 Ni2 O9 -","- C224 H208 N32 Ni16 O72 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.068","0.0344","","","0.0677","0.0799","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216840","8.4693","0.0006","14.305","0.001","15.7364","0.0014","90","","90","","90","","1906.5","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cu N6 O2 -","- C22 H16 Cu N6 O2 -","- C88 H64 Cu4 N24 O8 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0396","0.0313","","","0.0745","0.0787","","","","","","1.102","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216893","30.542","0.009","12.114","0.002","7.3571","0.001","90","","90","","90","","2722","1","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C112 H112 N48 O8 -","8","1","","Al-Azmi, Amal; Booth, Brian L.; Carpenter, Robert A.; Carvalho, Alice; Marrelec, Elodie; Pritchard, Robin G.; Proença, M. Fernanda J. R. P.","Facile synthesis of 6-cyano-9-substituted-9H-purines and their ring expansion to 8-(arylamino)-4-imino-3-methylpyrimidino[5,4-d]pyrimidines","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2532","","10.1039/b106539b","","x-ray","1.54178","CuKα","","0.1572","0.0558","","","0.1258","0.1703","","","","","","0.956","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7216898","21.765","0.007","14.725","0.006","11.857","0.006","90","","90","","90","","3800","3","299.2","","299.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O3 S2 -","- C20 H28 O3 S2 -","- C160 H224 O24 S16 -","8","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","1.5418","CuKα","","0.1125","0.094","","0.092","","0.092","","","6.141","","","6.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216923","18.582","0.005","10.594","0.004","22.431","0.008","90","","90","","90","","4416","3","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C208 H192 O48 -","8","1","","Utley, James H. P.; Ramesh, Shalini; Salvatella, Xavier; Szunerits, Sabine; Motevalli, Majid; Nielsen, Merete F.","Electro-organic reactions. Part 54. Quinodimethane chemistry. Part 2. Electrogeneration and reactivity of o-quinodimethanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","153","","10.1039/b007476o","","","0.71073","MoKα","","0.3221","0.0656","","","0.0515","0.0722","","","","","","0.637","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216942","12.997","0.003","15.552","0.002","15.809","0.003","90","","90","","90","","3195.5","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H22 F6 O P3 -","- C11 H22 F6 O P3 -","- C88 H176 F48 O8 P24 -","8","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.1158","0.0524","","","0.1261","0.1382","","","","","","0.783","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216951","12.792","0.003","8.8111","0.0017","31.303","0.006","90","","90","","90","","3528.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","1","","Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián","Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2211","","10.1039/b102029n","","","0.71073","MoKα","","0.145","0.0785","","","0.1802","0.2535","","","","","","0.954","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216952","7.3964","0.0006","10.3444","0.0009","34.536","0.003","90","","90","","90","","2642.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C96 H128 N16 O16 S8 -","8","1","","Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián","Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2211","","10.1039/b102029n","","","0.71073","MoKα","","0.0444","0.0313","","","0.077","0.0819","","","","","","0.996","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7217072","7.5528","0.0003","12.8145","0.0004","28.2258","0.0009","90","","90","","90","","2731.84","0.16","112","4","112","4","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl N4 O -","- C15 H13 Cl N4 O -","- C120 H104 Cl8 N32 O8 -","8","1","","Dhanalakshmi, Pandi; Shanmugam, Sivakumar","Convenient one-pot multicomponent strategy for the synthesis of 6-pyrrolylpyrimidines","RSC Advances","2014","4","56","29493","","10.1039/c4ra02891k","","","0.7107","MoKα","","0.0463","0.0386","","","0.0924","0.0977","","","","","","1.073","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217074","21.9035","0.0006","14.5496","0.0004","27.9653","0.0006","90","","90","","90","","8912.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Cd3 N3 O21 -","- C42 H41 Cd3 N3 O21 -","- C336 H328 Cd24 N24 O168 -","8","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0709","0.0492","","","0.1372","0.1608","","","","","","0.999","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217138","13.6452","0.0005","13.5547","0.0004","18.2545","0.0008","90","","90","","90","","3376.3","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Dimethyl-N-(8-benzoylnaphth-1-yl)ammonium tetrafluoroborate, 10-H.BF4","","- C19 H18 B F4 N O -","- C19 H18 B F4 N O -","- C152 H144 B8 F32 N8 O8 -","8","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.1055","0.0767","","","0.1518","0.166","","","","","","1.114","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217211","20.0319","0.0009","14.316","0.0006","24.1507","0.0009","90","","90","","90","","6925.9","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H39 N5 O3 S -","- C42 H39 N5 O3 S -","- C336 H312 N40 O24 S8 -","8","1","","Goswami, Shyamaprosad; Manna, Abhishek; Paul, Sima; Maity, Anup Kumar; Saha, Partha; Quah, Ching Kheng; Fun, Hoong- Kun","FRET based ‘red-switch’ for Al3+ over ESIPT based ‘green-switch’ for Zn2+: Dual channel detection with live-cell imaging on a dyed platform","RSC Advances","2014","","","","","10.1039/C4RA05714G","","","0.71073","MoKα","","0.0968","0.0691","","","0.1775","0.2006","","","","","","1.024","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217241","13.33","0.002","13.669","0.003","22.655","0.004","90","","90","","90","","4127.9","1.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{[Zn2(bpta)2(adc)2].2H2O}n","","","- C40 H46 N6 O10 Zn2 -","- C40 H46 N6 O10 Zn2 -","- C160 H184 N24 O40 Zn8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0952","0.0421","","","0.0971","0.1205","","","","","","0.949","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217243","14.056","0.005","13.731","0.004","22.565","0.008","90","","90","","90","","4355","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cd2(bpata)2(adc)2]n","","","- C40 H46 Cd2 N6 O10 -","- C40 H46 Cd2 N6 O10 -","- C160 H184 Cd8 N24 O40 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0889","0.0429","","","0.0789","0.0924","","","","","","0.869","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217244","13.1609","0.0005","17.9462","0.0006","18.4789","0.0007","90","","90","","90","","4364.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cd2(bpba)2(adc)2]n","","","- C46 H38 Cd2 N6 O8 -","- C46 H38 Cd2 N6 O8 -","- C184 H152 Cd8 N24 O32 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay","Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO","RSC Advances","2014","","","","","10.1039/C4RA03928A","","","0.71073","MoKα","","0.0487","0.0273","","","0.0546","0.0616","","","","","","1.033","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217248","22.8796","0.0005","7.1945","0.0001","25.1019","0.0018","90","","90","","90","","4132","0.3","143","","143","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N5 O5 Si -","- C20 H25 N5 O5 Si -","- C160 H200 N40 O40 Si8 -","8","1","","Singh, Gurjaspreet; Mangat, SatinderPal Singh; Sharma, Hemant; Singh, Jandeep; Arora, Aanchal; Pannu, Ajay Pal Singh; Singh, Narinder","Design and Syntheses of Novel Fluorescent Organosilicon‒Based Chemosensors Through Click Silylation: Detection of Biogenic Amines","RSC Advances","2014","","","","","10.1039/C4RA02270J","","","1.54178","CuKα","","0.0503","0.0456","","","0.1277","0.1295","","","","","","1.15","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217283","24.3711","0.0015","24.6465","0.0015","25.3492","0.0015","90","","90","","90","","15226.3","1.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NBu4-Aletbat","","","- C77 H126 Al Cl2 N O4 -","- C77 H126 Al Cl2 N O4 -","- C616 H1008 Al8 Cl16 N8 O32 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1351","0.0788","","","0.1755","0.2123","","","","","","1.019","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217314","12.1361","0.0008","8.5565","0.0006","23.324","0.0015","90","","90","","90","","2422","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 F N O7 U -","- C9 H13 F N O7 U -","- C72 H104 F8 N8 O56 U8 -","8","1","","Hou, Xiaomin; Tang, Sifu","Two New Two-dimensional Layered Uranyl-bearing Polycarboxylates from Semi-rigid Tetracarboxylic Acids","RSC Advances","2014","","","","","10.1039/C4RA04684F","","","0.71073","MoKα","","0.0485","0.0362","","","0.0746","0.0796","","","","","","1.095","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217820","7.038","0.004","15.257","0.008","17.946","0.01","90","","90","","90","","1927","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C40 H48 Br24 Cd8 N8 -","8","1","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0932","0.0762","","","0.1745","0.1847","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217824","10.9228","0.0004","10.0631","0.0004","43.0466","0.0017","90","","90","","90","","4731.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H30 Cl N O Pd Se -","- C23 H30 Cl N O Pd Se -","- C184 H240 Cl8 N8 O8 Pd8 Se8 -","8","1","","Singh, Ajai kumar; Kumar, Umesh; Dubey, Pooja; Singh, Ved Vati; Prakash, Om","Sterically hindered selenoether ligands: palladium(II) complexes as catalytic activators for Suzuki-Miyaura coupling","RSC Advances","2014","","","","","10.1039/C4RA06313A","","","0.71073","MoKα","","0.0558","0.0488","","","0.1014","0.104","","","","","","1.302","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217826","20.653","0.005","24.066","0.005","26.128","0.005","90","","90","","90","","12987","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H70 Cl3 Cu4 N15 O21 -","- C48 H36 Cl3 Cu4 N15 O21 -","- C384 H288 Cl24 Cu32 N120 O168 -","8","1","","Patil, Yogesh; Nethaji, Munirathinam","Simultaneous co-ordination of three cytosine ligands displaying different binding sites around the copper centres","RSC Advances","2014","","","","","10.1039/C4RA07828D","","","0.71073","MoKα","","0.1369","0.0683","","","0.1888","0.248","","","","","","0.95","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217869","7.6414","0.0006","15.7487","0.0009","39.13","0.003","90","","90","","90","","4709","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C168 H208 N64 O64 -","8","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0857","0.0503","","","0.1264","0.1469","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218086","10.0704","0.0016","16.864","0.003","22.682","0.004","90","","90","","90","","3852","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C168 H176 N16 O24 S8 -","8","1","","Yang, Daoshan; Yan, Kelu; Wei, Wei; Tian, Laijin; Li, Qinghe; You, Jinmao; Wang, Hua","Metal-free n-Et4NBr-catalyzed radical cyclization of disulfides and alkynes leading to benzothiophenes under mild conditions","RSC Adv.","2014","","","","","10.1039/C4RA08260E","","","0.71073","MoKα","","0.068","0.0436","","","0.1054","0.1159","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218127","11.4551","0.0001","4.95346","0.00005","18.1676","0.0002","90","","90","","90","","1030.87","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiGeO2(OH)2(NO3)","bisnuth germanium oxyhydroxy nitrate","","- Bi Ge N O7 -","- Bi Ge H N O7 -","- Bi8 Ge8 H8 N8 O56 -","8","1","","Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio","Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)","CrystEngComm","2014","16","43","10080","","10.1039/C4CE01355G","powder diffraction","","1.54059","CuKα~1~","","0.00813","","","","","","0.00768","0.01331","1.9828","","","","","","","has coordinates","190823","2020-10-21","18:00:00",""
"7218352","16.8096","0.0002","15.3277","0.0001","22.8613","0.0003","90","","90","","90","","5890.27","0.11","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 I6 N4 -","- C20 H40 I6 N4 -","- C160 H320 I48 N32 -","8","1","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0676","0.0582","","","0.1562","0.1649","","","","","","1.052","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218386","8.4445","0.0006","19.2694","0.0014","20.5785","0.0016","90","","90","","90","","3348.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N3 O2 -","- C21 H15 N3 O2 -","- C168 H120 N24 O16 -","8","1","","Qian, Zhiwei; Yang, Anjiang; Yu, Ting; Ma, Lanping; Wang, Xin; Zhang, Yongliang; Shen, Jingkang; Meng, Tao","An efficient synthesis of novel dibenzoxdiazepine-fused heterocycles through multicomponent reaction","RSC Adv.","2014","","","","","10.1039/C4RA09196E","","","0.71073","MoKα","","0.0521","0.0406","","","0.1161","0.1213","","","","","","1.57","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218390","10.5318","0.0003","9.1502","0.0003","40.9969","0.001","90","","90","","90","","3950.8","0.2","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N3 O P -","- C22 H26 N3 O P -","- C176 H208 N24 O8 P8 -","8","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0426","0.0316","","","0.039","0.0399","","","","2.11","2.11","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218406","11.5887","0.0003","13.7676","0.0004","16.8921","0.0005","90","","90","","90","","2695.11","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 U -","- C12 H11 N2 O5 U -","- C96 H88 N16 O40 U8 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0462","0.0294","","","0.0566","0.062","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218447","20.2193","0.0004","6.5716","0.0001","27.935","0.0005","90","","90","","90","","3711.81","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O9 Zn2 -","- C15 H12 O9 Zn2 -","- C120 H96 O72 Zn16 -","8","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0647","0.0401","","","0.0972","0.1197","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218451","12.9802","0.0003","8.1449","0.00018","14.5848","0.0003","90","","90","","90","","1541.94","0.06","100","","100","","","","","","","","Reagents obtained from Sigma Aldrich and Alfa Aesar","4","P b c a","-P 2ac 2ab","61","","Acetonitrilocopper(I) tricyanomethanide","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C48 H24 Cu8 N32 -","8","1","","Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L.","Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework","CrystEngComm","2015","17","2","361","369","10.1039/c4ce01572j","","","1.54184","CuKα","","0.0229","0.0199","","0.0542","0.0524","0.0542","","","","","","0.9951","","","","has coordinates","274642","2022-04-22","16:43:09",""
"7218465","9.8173","0.0005","9.692","0.0005","19.9217","0.0014","90","","90","","90","","1895.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C72 H56 F24 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.1612","0.0832","","","0.1104","0.13","","","","","","1.133","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218467","9.8365","0.0007","9.4215","0.0007","19.239","0.0015","90","","90","","90","","1783","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.192","0.071","","","0.1594","0.2198","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218468","20.805","0.003","15.649","0.003","5.3033","0.0007","90","","90","","90","","1726.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.1957","0.0767","","","0.1049","0.132","","","","","","0.992","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218534","18.7677","0.0008","11.1216","0.0004","35.516","0.002","90","","90","","90","","7413.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O2 S -","- C20 H21 N3 O2 S -","- C320 H336 N48 O32 S16 -","16","2","","Pankova, Alena S.; Samartsev, Mikhail A.; Shulgin, Igor A.; Golubev, Pavel R.; Avdontceva, Margarita S.; Kuznetsov, Mikhail A.","Synthesis of thiazolidines via regioselective addition of unsymmetric thioureas to maleic acid derivatives","RSC Adv.","2014","4","93","51780","","10.1039/C4RA07840C","","","1.54184","CuKα","","0.1102","0.0737","","","0.1812","0.214","","","","","","0.99","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218541","8.5413","0.001","13.2793","0.0015","24.376","0.003","90","","90","","90","","2764.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moxonidine hydrochloride monohydrate","Moxonidine hydrochloride monohydrate","","- C9 H15 Cl2 N5 O2 -","- C9 H15 Cl2 N5 O2 -","- C72 H120 Cl16 N40 O16 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0614","0.0535","","","0.1293","0.1346","","","","","","1.166","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218565","10.331","0.004","7.626","0.003","28.392","0.011","90","","90","","90","","2236.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C96 H56 N8 O16 S16 -","8","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0825","","","0.254","0.2621","","","","","","1.077","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218637","15.4506","0.001","13.6578","0.0009","34.644","0.002","90","","90","","90","","7310.6","0.8","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H40 B10 Co N3 O6 S3 -","- C25 H40 B10 Co N5 O4 S3 -","- C200 H320 B80 Co8 N40 O32 S24 -","8","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.149","0.0489","","","0.0736","0.082","","","","","","0.986","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218704","17.573","0.007","16.528","0.007","17.595","0.008","90","","90","","90","","5110","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H52 Cd Cl2 N16 O12 -","- C42 H52 Cd Cl2 N16 O12 -","- C168 H208 Cd4 Cl8 N64 O48 -","4","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0976","0.085","","","0.1982","0.2095","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218737","11.4409","0.0012","24.696","0.003","25.285","0.003","90","","90","","90","","7144.1","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Co N4 O4 -","- C40 H34 Co N4 O4 -","- C320 H272 Co8 N32 O32 -","8","1","","Cui, Guang Hua; Van Hecke, Kristof; Yu, Baoyi; Wang, Xiaoxiao","Four cobalt(II) coordination polymers with diverse topologies derived from flexible bis(benzimidazole) and aromatic dicarboxylic acids：Syntheses, crystal structures and catalytic properties","RSC Adv.","2014","","","","","10.1039/C4RA08138B","","","0.71073","MoKα","","0.1349","0.0589","","","0.1667","0.2342","","","","","","0.883","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218769","9.3144","0.0003","17.8682","0.0005","18.0638","0.0006","90","","90","","90","","3006.39","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N6 O3 -","- C13 H16 N6 O3 -","- C104 H128 N48 O24 -","8","1","","Rahiman, Kalilur; Arthi, P.; Reddy, Dastagiri; Sakthivel, Natarajan; arun, Y; Paramasivan Thirumalai, Perumal; haleel, azees; veena, V","DNA-binding, molecular docking and apoptotic inducing activity of nickel(II), copper(II) and zinc(II) complexes of pyridine-based tetrazolo[1,5-a]pyrimidine ligands","RSC Adv.","2014","","","","","10.1039/C4RA11197D","","","0.71073","MoKα","","0.0739","0.0468","","","0.1142","0.1298","","","","","","1.054","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218857","19.2952","0.0011","19.2068","0.0011","21.3926","0.0012","90","","90","","90","","7928.1","0.8","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H58 Mg N2 O3 -","- C46 H58 Mg N2 O3 -","- C368 H464 Mg8 N16 O24 -","8","1","","Gao, Bo; Zhao, dehai; Li, Xiang; Cui, Yuan; Duan, Ranlong; Pang, Xuan","Magnesium Complexes Bearing N, N-Bidentate Phenanthrene Derivatives for the Stereoselective Ring-Opening Polymerization of rac-Lactides","RSC Adv.","2014","","","","","10.1039/C4RA12548G","","","0.71073","MoKα","","0.0903","0.0711","","","0.1365","0.1451","","","","","","1.185","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7218902","13.5324","0.0008","7.0687","0.0004","25.6858","0.0017","90","","90","","90","","2457","0.3","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","0.71073","MoKα","","0.0736","0.0465","","","0.1021","0.1163","","","","","","1.028","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218905","11.4176","0.0004","7.2174","0.0002","29.6018","0.001","90","","90","","90","","2439.35","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N6 O -","- C10 H11 Cl N6 O -","- C80 H88 Cl8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0697","0.0416","","","0.0951","0.1067","","","","","","1.048","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218906","11.3672","0.0004","7.2817","0.0002","30.1714","0.0011","90","","90","","90","","2497.36","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Br N6 O -","- C10 H11 Br N6 O -","- C80 H88 Br8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0562","0.0301","","","0.0639","0.0731","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219026","16.209","0.003","15.443","0.003","16.537","0.003","90","","90","","90","","4139.5","1.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H26 F3 K O9 S -","- C13 H26 F3 K O9 S -","- C104 H208 F24 K8 O72 S8 -","8","1","","Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.","Physical chemistry chemical physics : PCCP","2015","17","4","2838","2849","10.1039/c4cp05017g","","","0.71075","MoKα","","","0.0534","","","","0.1354","","","","","","1.149","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219176","12.291","0.003","7.4147","0.0015","34.667","0.007","90","","90","","90","","3159.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C144 H120 N8 O40 -","8","1","","Sharma, Siddharth; Singh, Ajay K.; Singh, Devendra; Kim, Dong-Pyo","Chemical fixation of carbon dioxide by copper catalyzed multicomponent reactions for oxazolidinedione syntheses","Green Chem.","2015","17","3","1404","","10.1039/C4GC02089H","","","0.71073","MoKα","","0.1129","0.0506","","","0.1125","0.1372","","","","","","1.016","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219190","9.4206","0.0003","12.0251","0.0003","24.0488","0.0009","90","","90","","90","","2724.34","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl4 N4 O4 -","- C10 H6 Cl4 N4 O4 -","- C80 H48 Cl32 N32 O32 -","8","1","","Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei","Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds","RSC Adv.","2014","","","","","10.1039/C4RA15392H","","","0.71073","MoKα","","0.0412","0.0306","","","0.064","0.0705","","","","","","1.055","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219247","34.643","0.004","11.0927","0.0016","10.1811","0.0013","90","","90","","90","","3912.4","0.9","113","","113","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O -","- C27 H24 O -","- C216 H192 O8 -","8","1","","Feng, Xing; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Tao, Zhu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Wei, Xian-Fu; Yamato, Takehiko","Iron(iii) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives","RSC Adv.","2014","5","12","8835","","10.1039/C4RA12216J","","","1.54187","CuKα","","","0.036","","","","0.1041","","","","","","1.123","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219346","5.2399","0.0002","7.4388","0.0003","11.7763","0.0004","90","","90","","90","","459.02","0.03","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.0424","0.0417","","0.0929","0.0921","0.0929","","","","","","0.9594","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219384","12.4581","0.0009","15.303","0.0009","29.2263","0.0016","90","","90","","90","","5571.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-[Iridium(carbonyl){cis-1,3-Bis-((di-tert-butylphosphino)methyl)}-cyclohexane]","","- C25 H49 Ir O P2 -","- C25 H49 Ir O P2 -","- C200 H392 Ir8 O8 P16 -","8","1","","Jonasson, Klara J.; Polukeev, Alexey; Wendt, Ola","PC(sp3)P Pincer Carbonyl Complexes of Iridium(I) and Iridium(III)","RSC Adv.","2015","","","","","10.1039/C4RA15562A","","","0.71073","MoKα","","0.084","0.052","","","0.1048","0.1167","","","","","","1.224","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219385","12.377","0.0002","15.3452","0.0002","28.8663","0.0004","90","","90","","90","","5482.51","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trans-[Iridium(hydrido)(carbonyl)Chloro{cis-1,3-Bis-((di-tert-butylphosphino)methyl)}-cyclohexane]","","- C25 H50 Cl Ir O P2 -","- C25 H49 Cl Ir O P2 -","- C200 H392 Cl8 Ir8 O8 P16 -","8","1","","Jonasson, Klara J.; Polukeev, Alexey; Wendt, Ola","PC(sp3)P Pincer Carbonyl Complexes of Iridium(I) and Iridium(III)","RSC Adv.","2015","","","","","10.1039/C4RA15562A","","","0.71073","MoKα","","0.0683","0.0389","","","0.107","0.1221","","","","","","1.124","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219427","9.8829","0.0004","13.787","0.007","6.0816","0.0003","90","","90","","90","","828.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0405","0.0358","","","0.0833","0.0876","","","","","","1.097","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219428","9.431","0.0008","12.826","0.016","5.6952","0.0005","90","","90","","90","","688.9","0.9","293","2","293","2","","","6300000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0594","0.055","","","0.1494","0.1561","","","","","","1.195","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219430","9.1235","0.0014","12.78","0.02","5.7014","0.0011","90","","90","","90","","664.8","1.1","293","2","293","2","","","8030000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1083","0.0812","","","0.206","0.2498","","","","","","1.138","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219548","7.5044","0.0013","11.9291","0.0019","14.8473","0.0019","90","","90","","90","","1329.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","1","","Ren, Lanhui; Wang, Lianyue; Lv, Ying; Shang, Sensen; Chen, Bo; Gao, Shuang","Synthesis of 6,7-dihydro-5H-cyclopenta[b]pyridin-5-one analogues through manganese-catalyzed oxidation of the CH2adjacent to pyridine moiety in water","Green Chem.","2015","17","4","2369","","10.1039/C4GC02471K","","","0.71073","MoKα","","0.0693","0.0552","","","0.1269","0.1383","","","","","","1.085","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219737","18.7958","0.0009","8.2622","0.0004","18.855","0.0008","90","","90","","90","","2928.1","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N2 Ni1.5 O9 P2 -","- C9 H19 N2 Ni1.5 O9 P2 -","- C72 H152 N16 Ni12 O72 P16 -","8","1","","Sun, Tong; Jiao, Cheng‒Qi; Li, Wen-Zhu; Sun, Zhen-Gang; Ma, Chao; Zhu, Yanyu; Ma, Ming-Xue; Luo, Hui; Zhang, Xiao-Wen; Wang, Mei-Ling","Mixed‒solvothermal synthesis, structures, surface photovoltage, luminescence and molecular recognition properties of three new transition metal phosphonates with 3D framework and supramolecular structures","RSC Adv.","2015","","","","","10.1039/C5RA00197H","","","0.71073","MoKα","","0.0931","0.067","","","0.1568","0.186","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219819","15.7557","0.001","15.1427","0.0009","16.838","0.001","90","","90","","90","","4017.3","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0445","0.0309","","","0.0807","0.0877","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219863","11.3577","0.0006","9.9015","0.0006","24.706","0.0014","90","","90","","90","","2778.4","0.3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H3 Cl N10 O9 -","- C6 H3 Cl N10 O9 -","- C48 H24 Cl8 N80 O72 -","8","1","","Yu, Qiong; Wang, Zhixin; Yang, Hongwei; Wu, Bo; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","N-Trinitroethyl-substituted azoxyfurazan: high detonation performance energetic materials","RSC Adv.","2015","","","","","10.1039/C5RA03230J","","","0.71073","MoKα","","0.0695","0.0439","","","0.112","0.1253","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219887","13.733","0.003","14.889","0.003","21.978","0.004","90","","90","","90","","4493.9","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Fe2 N4 O4 S2 -","- C18 H22 Fe2 N4 O4 S2 -","- C144 H176 Fe16 N32 O32 S16 -","8","1","","Wang, Yanhong; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Sheng, Liao","Synthesis, Characterization, Electrochemical Properties and Catalytic Reactivity of the N-Heterocyclic Carbene-Containing Diiron Complexes","RSC Adv.","2015","","","","","10.1039/C4RA15150J","","","0.71073","MoKα","","0.0543","0.0444","","","0.1115","0.1187","","","","","","1.079","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219919","15.098","0.0014","14.976","0.0014","20.7031","0.0016","90","","90","","90","","4681.1","0.7","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br Mo N2 O2 -","- C27 H23 Br Mo N2 O2 -","- C216 H184 Br8 Mo8 N16 O16 -","8","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0472","0.0324","","","0.0735","0.0842","","","","","","1.133","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219920","11.013","0.0004","21.5815","0.0008","28.9932","0.001","90","","90","","90","","6891","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl6 N4 O2 Pd2 -","- C32 H34 Cl6 N4 O2 Pd2 -","- C256 H272 Cl48 N32 O16 Pd16 -","8","1","","liu, qingxiang; Wei, Qing; Liu, Rui; Zhao, Xiao-Jun; Zhao, Zhi-Xiang","NHC Macrometallocycles of Mercury(II) and Silver(I): Synthesis, Structural Studies and Recognition of Hg(II) Complex 4 for Silver ion","RSC Adv.","2015","","","","","10.1039/C4RA14340J","","","0.71073","MoKα","","0.0332","0.0283","","","0.0631","0.0659","","","","","","1.055","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220006","12.8418","0.0003","7.5487","0.0002","26.461","0.0006","90","","90","","90","","2565.1","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.046","0.0398","","","0.1083","0.1172","","","","","","1.046","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220008","12.4915","0.0015","7.5972","0.0014","26.1737","0.0018","90","","90","","90","","2483.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P3-PolymorphI-Pbca","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","0.71073","MoKα","","0.0517","0.0419","","","0.099","0.1043","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7220055","10.191","0.002","8.603","0.0017","18.665","0.004","90","","90","","90","","1636.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H5 N O5 U -","- C6 H5 N O5 U -","- C48 H40 N8 O40 U8 -","8","1","","Zhang, Yingjie; Karatchevtseva, Inna; Price, Jason R.; aharonovich, igor; Kadi, Fatima; Lumpkin, Gregory R.; Li, Feng","Uranium(VI) complexes with isonicotinic acid: from monomer to 2D polymer with unique U-N bonding","RSC Adv.","2015","","","","","10.1039/C5RA01272D","","","0.7293","Synchrotron","","0.033","0.0305","","","0.0756","0.0772","","","","","","1.107","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220121","10.3118","0.001","7.4555","0.0008","25.318","0.003","90","","90","","90","","1946.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","An investigation on single crystal growth, structural, thermal and optical properties of a series of organic D‒π‒A push-pull materials","RSC Adv.","2015","","","","","10.1039/C5RA04907E","","","0.71073","MoKα","","0.1376","0.0844","","","0.2121","0.2648","","","","","","0.952","","","","has coordinates","135726","2020-10-21","18:00:00",""
"7220126","19.476","0.0007","10.5905","0.0004","29.7263","0.0011","90","","90","","90","","6131.4","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H48 Cu2 N8 O18 -","- C68 H48 Cu2 N8 O18 -","- C272 H192 Cu8 N32 O72 -","4","0.5","","zhang, xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian","Hydrothermal Syntheses, Structural Characterizations, and Magnetic Properties of Five MOFs Assembled From C2-Symmetric Ligand of 1,3-Di((2',4'-dicarboxylphenyl)benzene with Various Coodination modes","RSC Adv.","2015","","","","","10.1039/C5RA04559B","","","0.71073","MoKα","","0.0886","0.0556","","","0.1355","0.156","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220143","13.829","0.0005","20.254","0.0008","25.765","0.001","90","","90","","90","","7216.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H40 Cd N6 O15 -","- C24 H18 Cd N6 O4 -","- C192 H144 Cd8 N48 O32 -","8","1","","Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin","Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands","RSC Adv.","2015","","","","","10.1039/C5RA06072A","","","0.71073","MoKα","","0.0633","0.0413","","","0.1126","0.1195","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220167","14.357","0.003","13.713","0.003","20.207","0.004","90","","90","","90","","3978.3","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H38 Br2 Cu6 I6 N6 -","- C20 H38 Br2 Cu6 I6 N6 -","- C80 H152 Br8 Cu24 I24 N24 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0951","0.0841","","","0.1672","0.1711","","","","","","1.226","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220168","14.027","0.003","13.637","0.003","20.343","0.004","90","","90","","90","","3891.3","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H38 Br2 Cu6 I6 N6 -","- C20 H38 Br2 Cu6 I6 N6 -","- C80 H152 Br8 Cu24 I24 N24 -","4","0.5","","Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers","RSC Adv.","2015","","","","","10.1039/C5RA05157F","","","0.71073","MoKα","","0.0732","0.0692","","","0.1499","0.1513","","","","","","1.294","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220189","8.4993","0.0005","17.7777","0.0011","23.0409","0.0015","90","","90","","90","","3481.4","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N3 S -","- C22 H15 N3 S -","- C176 H120 N24 S8 -","8","1","","Zhu, Longzhi; Cao, Xin; Qiu, Renhua; Iwasaki, Takanori; Reddy, Vutukuri Prakash; Xu, Xinhua; Yin, S.-F.; Kambe, Nobuaki","Copper-mediated thiolation of carbazole derivatives and related N-heterocycle compounds","RSC Adv.","2015","","","","","10.1039/C5RA04965B","","","0.71073","MoKα","","0.0574","0.0403","","","0.1268","0.1425","","","","","","1.097","","","","has coordinates","135753","2020-10-21","18:00:00",""
"7220194","9.6734","0.0008","7.8964","0.0006","25.315","0.002","90","","90","","90","","1933.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C80 H64 N16 O24 -","8","1","","Wong, Fung Fuh; Huang, Jiann-Jyh; Lu, Shi-Han; Chung, Yu Hsuan","Vilsmeier‒Haack reagent-promoted formyloxylation of α-chloro-N-arylacetamides by formamide","RSC Adv.","2015","","","","","10.1039/C5RA05779E","","","0.71073","MoKα","","0.059","0.0489","","","0.122","0.1275","","","","","","1.097","","","","has coordinates","135756","2020-10-21","18:00:00",""
"7220202","7.6654","0.0005","9.6969","0.0006","15.2346","0.001","90","","90","","90","","1132.4","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N6 O2 -","- C10 H10 N6 O2 -","- C40 H40 N24 O8 -","4","0.5","","Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill","A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route","RSC Adv.","2015","","","","","10.1039/C5RA05726D","","","0.71073","MoKα","","0.0476","0.0426","","","0.1088","0.1125","","","","","","1.155","","","","has coordinates","135761","2020-10-21","18:00:00",""
"7220236","7.0534","0.0004","13.3638","0.0008","16.8646","0.001","90","","90","","90","","1589.66","0.16","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","- C56 H64 N8 O32 Zn4 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0307","0.0231","","","0.0612","0.0653","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220238","7.1867","0.0003","13.3223","0.0006","16.8797","0.0007","90","","90","","90","","1616.12","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Co N2 O8 -","- C14 H16 Co N2 O8 -","- C56 H64 Co4 N8 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0467","0.0357","","","0.0974","0.1056","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220239","7.1353","0.0004","13.2866","0.0008","16.8095","0.001","90","","90","","90","","1593.61","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 Ni O8 -","- C14 H16 N2 Ni O8 -","- C56 H64 N8 Ni4 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0514","0.0322","","","0.0841","0.0947","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220245","6.9918","0.0005","13.1602","0.0009","17.1546","0.0012","90","","90","","90","","1578.45","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N2 O8 -","- C14 H16 Cu N2 O8 -","- C56 H64 Cu4 N8 O32 -","4","0.5","","Armaghan, Mahsa; Lu, Wei-Yu; Wu, Di; Wei, Yao; Yuan, Feng-Ling; Weng, Ng Seik; MOHHAMADPOUR AMINI, MOSTAFA; Zhang, Wen-Hua; Young, David James; Hor, Andy; Lang, Jian-Ping","Isolation of first row transition metal‒carboxylate zwitterions","RSC Adv.","2015","","","","","10.1039/C5RA05564D","","","0.71073","MoKα","","0.0324","0.0247","","","0.0618","0.0651","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220257","10.772","0.002","18.039","0.004","18.646","0.004","90","","90","","90","","3623.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(tdzdc)(tmb)]n","","- C16 H12 N8 O4 S Zn -","- C16 H12 N8 O4 S Zn -","- C128 H96 N64 O32 S8 Zn8 -","8","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.083","0.0581","","","0.1003","0.1088","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220299","14.578","0.001","16.218","0.001","16.257","0.001","90","","90","","90","","3843.6","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 Pt S7 -","- C13 H18 N2 Pt S7 -","- C104 H144 N16 Pt8 S56 -","8","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0582","0.0294","","","0.0641","0.0738","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220477","18.2066","0.001","11.0845","0.0006","19.4301","0.001","90","","90","","90","","3921.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 O -","- C22 H23 Cl N4 O -","- C176 H184 Cl8 N32 O8 -","8","1","","inam, afreen; Van Zyl, Robyn L.; van Vuurenb, Natasha J.; Chen, Chien-Teng; Avecilla, Fernando; Agarwal, Subhash M.; Azam, Amir","Chloroquinoline-acetamide hybrids: A promising series of potential antiprotozoal agent","RSC Adv.","2015","","","","","10.1039/C5RA05472A","","","0.71073","MoKα","","0.0504","0.035","","","0.0854","0.0942","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220544","6.845","0.004","15.614","0.011","24.566","0.015","90","","90","","90","","2626","3","150.15","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N4 O S -","- C13 H14 N4 O S -","- C104 H112 N32 O8 S8 -","8","1","","Haribabu, Jebiti; Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Karvembu, Ramasamy","Synthesis, DNA/protein binding, molecular docking, DNA cleavage and in vitro anticancer activity of nickel(ii) bis(thiosemicarbazone) complexes","RSC Adv.","2015","5","57","46031","","10.1039/C5RA04498G","","","0.71073","MoKα","","0.0777","0.0659","","","0.1853","0.1983","","","","","","1.048","","","","has coordinates","137198","2020-10-21","18:00:00",""
"7220627","16.668","0.006","16.256","0.006","28.596","0.01","90","","90","","90","","7748","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 N5 O4 Zn -","- C30 H26 N5 O4 Zn -","- C240 H208 N40 O32 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.17","0.0611","","","0.1328","0.1617","","","","","","0.84","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220650","9.174","0.0002","17.9628","0.0003","36.5293","0.0008","90","","90","","90","","6019.7","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 Fe P4 S -","- C28 H44 Fe P4 S -","- C224 H352 Fe8 P32 S8 -","8","1","","xue, benjing; Sun, Hongjian; Li, Xiaoyan","Syntheses and Catalytic Application of Hydrido Iron(II) Complexes with [P,S]-Chelating Ligands in Hydrosilylation of Aldehydes and Ketones","RSC Adv.","2015","","","","","10.1039/C5RA09330A","","","0.71073","MoKα","","0.0654","0.0498","","","0.1325","0.1463","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220668","16.3265","0.0002","18.2018","0.0002","26.5776","0.0003","90","","90","","90","","7898.11","0.16","173","","173","2","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","3,6-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-2,7-dimethoxycarbazole","","- C50 H49 N O2 -","- C50 H49 N O2 -","- C400 H392 N8 O16 -","8","1","","Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.","Structure‒property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles","RSC Adv.","2015","5","61","49577","","10.1039/C5RA09161F","","","0.71073","MoKα","","0.113","0.072","","0.163","0.155","0.155","","","1.07","1.163","1.163","1.158","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7220705","13.152","0.0011","14.8788","0.0012","19.129","0.0015","90","","90","","90","","3743.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 -","- C23 H19 N2 O3 -","- C184 H152 N16 O24 -","8","1","","Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis","Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions","RSC Adv.","2015","","","","","10.1039/C5RA05780A","","","0.71073","MoKα","","0.1683","0.069","","","0.1674","0.2082","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220805","17.9015","0.0003","9.353","0.0002","19.7128","0.0004","90","","90","","90","","3300.57","0.11","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cu F6 N8 O8 S2 -","- C28 H24 Cu F6 N8 O8 S2 -","- C112 H96 Cu4 F24 N32 O32 S8 -","4","0.5","","Sangtrirutnugul, Preeyanuch; Thongkam, Pech; Jindabot, Sudarat; Prabpai, Samran; Kongsaeree, Palangpon; Wittisuwannakul, Taveechai; Surawatanawong, Panida","Pyridine‒Triazole Ligands for Copper‒Catalyzed Aerobic Alcohol Oxidation","RSC Adv.","2015","","","","","10.1039/C5RA06933E","","","0.71073","MoKα","","0.0722","0.0574","","","0.1429","0.151","","","","","","1.052","","","","has coordinates","139397","2020-10-21","18:00:00",""
"7220838","16.6948","0.0007","7.1386","0.0004","23.0042","0.0012","90","","90","","90","","2741.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(Z)-(1-naphthyl)((2-ethoxycarbonylvinyl)telluride","(Z)-Ethyl 2-(1-naphthyltelluro)acrylate","","- C15 H14 O2 Te -","- C15 H14 O2 Te -","- C120 H112 O16 Te8 -","8","1","","Chauhan, Ashok Kumar Singh; Singh, Bandana; Srivastava, Ramesh Chandra; Duthie, Andrew; Butcher, Ray Jay","Hydrotelluration of acetylenic Esters: Structural Characterization of Stereoisomers of Methyl/ethyl (β-aryltelluro)acrylates","RSC Adv.","2015","","","","","10.1039/C5RA07854G","","","0.71073","MoKα","","0.0736","0.0524","","","0.0942","0.1047","","","","","","1.068","","","","has coordinates","139540","2020-10-21","18:00:00",""
"7220903","7.02478","0.00013","16.0194","0.0003","21.5034","0.0004","90","","90","","90","","2419.84","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C96 H96 N32 O32 -","8","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0457","0.0422","","","0.1138","0.1168","","","","","","0.815","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220922","16.039","0.003","17.92","0.003","40.991","0.006","90","","90","","90","","11782","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Ir(κ2-S,N-(4,5-(P(S)Ph2)2Tz))(PPh3)2(H)2]","","- C63 H53 Cl3 Ir N3 P4 S2 -","- C63 H53 Cl3 Ir N3 P4 S2 -","- C504 H424 Cl24 Ir8 N24 P32 S16 -","8","1","","Zúñiga-Villarreal, Noé; Hernández-Juárez, Martín; Toscano, Ruben Alfredo; Cortes-Guzman, Fernando","Hydrogen and oxygen activation by an iridium precursor containing the 4,5-bis(diphenylthiophosphinoyl)-1,2,3-triazole ligand","RSC Adv.","2015","","","","","10.1039/C5RA07698F","","","0.71073","MoKα","","0.0741","0.0384","","","0.0678","0.081","","","","","","1.028","","","","has coordinates,has disorder","139796","2020-10-21","18:00:00",""
"7220965","14.2707","0.0005","11.9131","0.0004","18.9905","0.0006","90","","90","","90","","3228.54","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O10 Zn -","- C15 H17 N O10 Zn -","- C120 H136 N8 O80 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0662","0.0399","","","0.0789","0.0869","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220966","7.4952","0.0002","17.417","0.0005","21.7353","0.0005","90","","90","","90","","2837.41","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O7 Zn -","- C15 H11 N O7 Zn -","- C120 H88 N8 O56 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0391","0.0314","","","0.0715","0.0746","","","","","","1.026","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220968","17.0363","0.0004","7.7794","0.0002","20.1494","0.0005","90","","90","","90","","2670.44","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br0 Cd N O7 -","- C15 H11 Cd N O7 -","- C120 H88 Cd8 N8 O56 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0407","0.0304","","","0.0683","0.072","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220979","11.5582","0.0007","12.3717","0.0007","23.8099","0.0018","90","","90","","90","","3404.7","0.4","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 B F4 N2 -","- C20 H15 B F4 N2 -","- C160 H120 B8 F32 N16 -","8","1","","de Robillard, Guillaume; Makni, Oumayma; Cattey, Hélène; Andrieu, Jacques; Devillers, Charles H.","Towards sustainable synthesis of pyren-1-yl azoliums via electrochemical oxidative C‒N coupling","Green Chem.","2015","17","9","4669","","10.1039/C5GC01142F","","","0.71073","MoKα","","0.0714","0.0499","","","0.1221","0.1362","","","","","","1.026","","","","has coordinates,has disorder","162001","2020-10-21","18:00:00",""
"7221027","10.4213","0.0005","15.0974","0.0008","24.6279","0.0014","90","","90","","90","","3874.8","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Nitro-2-phenyl-1-(3-phenylpropyl)quinolin-4(1<i>H</i>)-one","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C192 H160 N16 O24 -","8","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.0799","0.0493","","","0.1103","0.1234","","","","","","1.049","","","","has coordinates","140570","2020-10-21","18:00:00",""
"7221125","7.1635","0.0016","19.881","0.004","37.705","0.008","90","","90","","90","","5370","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetonitrile monosolvate","","- C24 H12 N6 O6 S4 -","- C24 H12 N6 O6 S4 -","- C192 H96 N48 O48 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1039","0.057","","","0.1404","0.1647","","","","","","1.029","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221126","7.1682","0.0015","19.902","0.006","37.805","0.009","90","","90","","90","","5393","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate","","- C23.5 H12 N5 O6.5 S4 -","- C23.5 H12 N5 O6.5 S4 -","- C188 H96 N40 O52 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1109","0.0621","","","0.1472","0.1848","","","","","","1.092","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221142","10.5296","0.0011","17.3251","0.0018","22.405","0.002","90","","90","","90","","4087.3","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N5 -","- C23 H18 Br N5 -","- C184 H144 Br8 N40 -","8","1","","Khan, Abu Taleb; Ray Bagdi, Prasanta; Basha R, Sidick","Synthesis of 2-triazolyl-imidazo[1,2-a]pyridine through one-pot three-component reaction using nano copper oxide assisted click-catalyst","RSC Adv.","2015","","","","","10.1039/C5RA09671E","","","0.71073","MoKα","","0.1445","0.0503","","","0.1389","0.1813","","","","","","0.93","","","","has coordinates","141472","2020-10-21","18:00:00",""
"7221148","7.2953","0.0002","17.2658","0.0005","28.4236","0.0007","90","","90","","90","","3580.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cu N3 O7 -","- C18 H15 Cu N3 O7 -","- C144 H120 Cu8 N24 O56 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","","","1.5418","CuKα","","0.0494","0.039","","","0.1032","0.1122","","","","","","0.855","","","","has coordinates","171079","2020-10-21","18:00:00",""
"7221149","7.497","0.0005","19.8283","0.0016","23.844","0.0018","90","","90","","90","","3544.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cu N3 O6 -","- C18 H13 Cu N3 O6 -","- C144 H104 Cu8 N24 O48 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","powder diffraction","x-ray","0.827","","","0.1045","0.1031","","0.0976","0.0972","","","","2.84","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221185","9.8873","0.0007","5.5314","0.0003","13.6734","0.0009","90","","90","","90","","747.81","0.08","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 N5 O -","- C H3 N5 O -","- C8 H24 N40 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0761","0.0415","","","0.0928","0.114","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221190","12.8237","0.0006","6.7049","0.0003","20.2018","0.001","90","","90","","90","","1736.98","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H11 N11 O -","- C2 H11 N11 O -","- C16 H88 N88 O8 -","8","1","","Yin, Xin; Wu, Jin-Ting; Jin, Xin; Xu, Cai-Xia; He, Piao; Li, Tong; Wang, Kun; Qin, Jian; Zhang, Jian-Guo","Nitrogen-rich salts of 1-aminotetrazol-5-one: oxygen-containing insensitive energetic materials with high thermal stability","RSC Adv.","2015","5","74","60005","","10.1039/C5RA07649H","","","0.71073","MoKα","","0.0533","0.0369","","","0.0872","0.0985","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221273","5.31411","","5.31148","","26.9138","","90","","90","","90","","759.663","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca4 Mn2 Ti O9.926","","- Ca4 Mn2 O9.926 Ti -","- Ca4 Mn2 O9.926 Ti -","- Ca16 Mn8 O39.704 Ti4 -","4","0.5","","Battle, P.D.; Vente, J.F.; Blundell, S.J.; Coldea, A.I.; Spring, L.E.; Cussen, E.J.; Singleton, J.; Rosseinsky, M.J.","Crystal structure and electronic properties of Ca4 Mn2 Ti O9.93, an n=3 Ruddlesden-Popper compound","Journal of Materials Chemistry","2001","11","","160","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221388","11.78","","6.06","","18.38","","90","","90","","90","","1312.09","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Na Hg (C N)2 Cl H2 O","","- C2 H2 Cl Hg N2 Na O -","- C2 Cl Hg N2 Na O -","- C16 Cl8 Hg8 N16 Na8 O8 -","8","1","","Thiele, G.; Brodersen, K.; Frohring, H.M.","On cyanohalogenomercurates of alkali metals","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1981","36","","180","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221642","17.4695","0.0003","8.64315","0.00013","19.7657","0.0003","90","","90","","90","","2984.45","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H11 N5 O2 Zn -","- C17 H11 N5 O2 Zn -","- C136 H88 N40 O16 Zn8 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","1.5418","CuKα","","0.026","0.0237","","","0.0638","0.0653","","","","","","1.053","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221643","18.58","0.004","9.962","0.002","32.732","0.008","90","","90","","90","","6058","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N9 O6 Zn2 -","- C28 H25 N9 O6 Zn2 -","- C224 H200 N72 O48 Zn16 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","0.71073","MoKα","","0.0408","0.0342","","","0.0853","0.0881","","","","","","1.114","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221725","16.591","","16.098","0.003","16.591","0.002","90","","90","","90","","4431.2","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2-{[Benzhydryl-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amino]-methyl}-5-iodo-thiophene-3,4-diol","","","- C20 H17 I2 N O4 S2 -","- C20 H17 I2 N O4 S2 -","- C160 H136 I16 N8 O32 S16 -","8","1","","Xia, Jiangbin; Huang, Lili; Peng, Kai; Pei, Tong","Influence of Benzene Ring Number Attached on non-conjugated 3,4- Ethylenedioxythiophene Derivatives for Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA10007K","","","0.71073","MoKα","","0.0875","0.0475","","","0.1101","0.1269","","","","","","1.014","","","","has coordinates","152725","2020-10-21","18:00:00",""
"7221762","6.9082","0.0003","12.2055","0.0007","14.282","0.0008","90","","90","","90","","1204.23","0.11","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-chloro-5-methylisoxazol-3-amine","4-chloro-5-methylisoxazol-3-amine","","- C4 H5 Cl N2 O -","- C4 H5 Cl N2 O -","- C32 H40 Cl8 N16 O8 -","8","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0557","0.0467","","","0.1322","0.1455","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221855","15.4267","0.0006","18.0947","0.0007","21.1309","0.0007","90","","90","","90","","5898.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cu N7 O6 -","- C32 H27 Cu N7 O6 -","- C256 H216 Cu8 N56 O48 -","8","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0879","0.0464","","","0.0964","0.1039","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221903","18.9997","0.0003","14.97489","0.00018","25.4844","0.0005","90","","90","","90","","7250.8","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H60 Mo12 N12 O42 -","- C42 H52 Mo12 N12 O42 -","- C168 H208 Mo48 N48 O168 -","4","0.5","","Du, Hai-Juan; Wang, Chao-Hai; Li, Yao; Niu, Yunyin; Hou, Hongwei","Four hybrid compounds based on new type of molybdates and a flexible tripodal ligand: synthesis, structures, photochemical and electrochemical properties","RSC Adv.","2015","","","","","10.1039/C5RA13007G","","","0.71073","MoKα","","0.0659","0.0468","","","0.0971","0.1056","","","","","","1.077","","","","has coordinates,has disorder","153720","2020-10-21","18:00:00",""
"7222003","12.3783","0.0008","13.7779","0.0009","19.8004","0.0012","90","","90","","90","","3376.9","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H19 Cl N4 O -","- C18 H19 Cl N4 O -","- C144 H152 Cl8 N32 O8 -","8","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0307","0.0307","","","0.0819","0.082","","","","","","1.075","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222015","11.3834","0.0014","12.9542","0.0016","26.397","0.003","90","","90","","90","","3892.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 N2 O3 S -","- C24 H18 N2 O3 S -","- C192 H144 N16 O24 S8 -","8","1","","Huang, Zhi-You; Yang, Jing-Fang; Chen, Qian; Cao, Run-Jie; Huang, Wei; Hao, Ge-Fei; Yang, Guang-Fu","An efficient one-pot access to N-(pyridin-2-ylmethyl) substituent biphenyl-4-sulfonamides through water-promoted, palladium-catalyzed, microwave-assisted reactions","RSC Adv.","2015","5","92","75182","","10.1039/C5RA13302E","","","0.71073","MoKα","","0.0549","0.0423","","","0.1213","0.1341","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222055","7.3859","0.0003","13.247","0.0006","24.4599","0.0008","90","","90","","90","","2393.18","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Fluorophenyl)-2-(4-fluorophenylamino)acetonitrile","","- C14 H10 F2 N2 -","- C14 H10 F2 N2 -","- C112 H80 F16 N16 -","8","1","","Brahmachari, Goutam; Kumar, Abhishek; Srivastava, Ambrish Kumar; Misra, Neeraj; Gupta, Vivek; Gangwar, Shashi; Kant, Rajni","Synthesis, spectroscopic characterization, X-ray analysis and theoretical studies on the spectral features (FT-IR, 1H-NMR), chemical reactivity, NBO analyses of 2-(4-fluorophenyl)-2-(4-fluorophenylamino) acetonitrile, and its docking into IDO enzyme","RSC Adv.","2015","","","","","10.1039/C5RA15797H","","","0.71073","MoKα","","0.0771","0.0498","","","0.1257","0.1459","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222057","7.3674","0.0001","18.0273","0.0003","23.508","0.0004","90","","90","","90","","3122.2","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Cu N2 O7 S -","- C15 H14 Cu N2 O7 S -","- C120 H112 Cu8 N16 O56 S8 -","8","1","","Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong","Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism","RSC Adv.","2015","","","","","10.1039/C5RA15789G","","","0.71073","MoKα","","0.0298","0.0266","","","0.0707","0.0728","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222063","11.3265","0.001","12.443","0.0011","21.1449","0.0019","90","","90","","90","","2980.1","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1184","0.123","","","","","","1.16","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222100","9.9508","0.0003","19.0262","0.0006","19.3662","0.0006","90","","90","","90","","3666.5","0.2","100","2","100","2","","","","","","","Penthorum Chinese","3","P b c a","-P 2ac 2ab","61","Penchinone D","Penchinone D","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","He, Ya-Cong; Peng, Cheng; Xie, Xiao-Fang; Chen, Ming-Hua; Li, Xiao-Nian; Li, Meng-Ting; Zhou, Qin-Mei; Guo, Li; Xiong, Liang","Penchinones A‒D, two pairs of cis-trans isomers with rearranged neolignane carbon skeletons from Penthorum chinense","RSC Adv.","2015","5","94","76788","","10.1039/C5RA15982B","","","1.54178","CuKα","","0.0389","0.0389","","","0.0999","0.0999","","","","","","1.123","","","","has coordinates","155873","2020-10-21","18:00:00",""
"7222371","10.6479","0.0012","12.8941","0.0015","32.484","0.004","90","","90","","90","","4459.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cu O9 -","- C21 H30 Cu O9 -","- C168 H240 Cu8 O72 -","8","1","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0819","0.0806","","","0.1713","0.1719","","","","","","1.183","","","","has coordinates,has disorder","171062","2020-10-21","18:00:00",""
"7222477","23.8164","0.0016","18.9585","0.0007","18.6002","0.0006","90","","90","","90","","8398.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H132 O12 V2 -","- C86 H132 O12 V2 -","- C344 H528 O48 V8 -","4","0.5","","Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji","Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability","RSC Adv.","2015","","","","","10.1039/C5RA20177B","","","0.71075","MoKα","","0.1029","0.0484","","","0.0974","0.111","","","","","","0.913","","","","has coordinates","161226","2020-10-21","18:00:00",""
"7222497","11.627","","5.9271","","17.667","","90","","90","","90","","1217.51","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (V S2 O2)","","- Na3 O2 S2 V -","- Na3 O2 S2 V -","- Na24 O16 S16 V8 -","8","1","","Schnabel, S.; Roehr, C.","Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2005","60","","479","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222546","10.177","","9.344","","11.318","","90","","90","","90","","1076.27","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca2 Sr (W N4)","","- Ca2 N4 Sr W -","- Ca2 N4 Sr W -","- Ca16 N32 Sr8 W8 -","8","1","","Berger, U.; Schultz-Coulon, V.; Schnick, W.","Ca2 Sr (W N4), das erste gemischte Erdalkalimetall-nitridowolframat","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","213","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222568","13.134","","11.2249","","13.386","","90","","90","","90","","1973.47","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N H4) (Mn (N C S)3 (H2 O))","","- C3 H6 Mn N4 O S3 -","- C3 H6 Mn N4 O S3 -","- C24 H48 Mn8 N32 O8 S24 -","8","1","","Biedermann, M.; Hartung, H.; Boehland, H.; Matthaeus, R.","Koordinationsambidenz des Thiocyanations in Alkalithiocyanatomanganat(II)- Hydraten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222570","12.9393","","11.1886","","13.3057","","90","","90","","90","","1926.3","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","K (Mn (N C S)3 (H2 O))","","- C3 H2 K Mn N3 O S3 -","- C3 H2 K Mn N3 O S3 -","- C24 H16 K8 Mn8 N24 O8 S24 -","8","1","","Biedermann, M.; Hartung, H.; Boehland, H.; Matthaeus, R.","Koordinationsambidenz des Thiocyanations in Alkalithiocyanatomanganat(II)- Hydraten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","416","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222737","12.919","","25.441","","15.377","","90","","90","","90","","5053.99","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","K3 As7","","- As7 K3 -","- As7 K3 -","- As112 K48 -","16","2","","Emmerling, F.; Roehr, C.","Alkalimetall-Arsenide A3 As7 und A As (A = K, Rb, Cs). Synthesen, Kristallstrukturen, Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","963","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","164598","2020-10-21","18:00:00",""
"7222739","10.228","","13.176","","21.952","","90","","90","","90","","2958.34","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Cs3 As7","","- As7 Cs3 -","- As7 Cs3 -","- As56 Cs24 -","8","1","","Emmerling, F.; Roehr, C.","Alkalimetall-Arsenide A3 As7 und A As (A = K, Rb, Cs). Synthesen, Kristallstrukturen, Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","963","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","164606","2020-10-21","18:00:00",""
"7223150","17.7194","0.0007","11.712","0.0005","23.0697","0.0009","90","","90","","90","","4787.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 Zn -","- C27 H22 N2 O4 Zn -","- C216 H176 N16 O32 Zn8 -","8","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0786","0.0474","","","0.1107","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223159","14.646","0.0007","13.0224","0.0009","7.4486","0.0006","90","","90","","90","","1420.64","0.17","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ammonium dihydrogen phosphoenolpyruvate","","","- C3 H8 N O6 P -","- C3 H8 N O6 P -","- C24 H64 N8 O48 P8 -","8","1","","Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemyslaw","Charge density distribution and theoretical analysis of low and high energy phosphate esters","RSC Adv.","2015","","","","","10.1039/C5RA12605C","","","0.7107","MoKα","","0.024","0.014","","","","0.014","","","","","","1.589","","","","has coordinates","170141","2020-10-21","18:00:00",""
"7223246","13.3916","0.0002","12.6857","0.0002","23.5448","0.0004","90","","90","","90","","3999.83","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cd N3 O6 -","- C20 H19 Cd N3 O6 -","- C160 H152 Cd8 N24 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0316","0.0225","","","0.0523","0.057","","","","","","1.037","","","","has coordinates","185172","2020-10-21","18:00:00",""
"7223255","9.1244","0.0003","14.5321","0.0005","21.2515","0.0006","90","","90","","90","","2817.88","0.16","294","2","294","2","","","","","","","synthetic","3","P b c a","-P 2ac 2ab","61","","10-methyl-8-phenyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0612","0.0435","","","0.1055","0.1159","","","","","","1.022","","","","has coordinates","170310","2020-10-21","18:00:00",""
"7223262","9.0679","0.0003","8.3144","0.0003","26.1253","0.0011","90","","90","","90","","1969.69","0.13","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","0.5","","karami, kazem; Haghighat Naeini, Nasrin; Eigner, Václav; Dušek, Michal; Lipkowski, Janusz; Hervés, Pablo; Tavakol, Hossein","Palladium complexes with 3-phenylpropylamine ligand: synthesis, structures, theoretical studies and application in the aerobic oxidation of alcohols as a heterogeneous catalyst","RSC Adv.","2015","","","","","10.1039/C5RA17249G","","x-ray","1.54184","CuKα","","0.022","0.0194","","","0.0288","0.0302","","","","1.91","1.91","1.88","","","","has coordinates","170314","2020-10-21","18:00:00",""
"7223275","15.7968","0.0008","18.0753","0.0008","19.9867","0.0011","90","","90","","90","","5706.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cu3 I4 N8 S2 -","- C16 H28 Cu3 I4 N8 S2 -","- C128 H224 Cu24 I32 N64 S16 -","8","1","","Lobana, Tarlok Singh; Sultana, Razia; Castineiras, Alfonso","Chemistry of heterocyclic-2-thiones: in situ generated 1-(4,5-dihydro-3-alkyl-imidazolidin-2-yl)-3-alkyl-imidazolidine-2-thione and triiodide form novel mixed valent CuI-II /CuII complexes","RSC Adv.","2015","","","","","10.1039/C5RA20449F","","","0.71073","MoKα","","0.0329","0.0239","","","0.0519","0.0545","","","","","","1.094","","","","has coordinates","170366","2020-10-21","18:00:00",""
"7223310","19.4754","0.0018","7.2595","0.0005","22.789","0.002","90","","90","","90","","3221.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cu N4 O6 -","- C13 H14 Cu N4 O6 -","- C104 H112 Cu8 N32 O48 -","8","1","","Zhang, Weichuan; Lu, Xiaoming","Long-lived photoluminescence and high quantum yield of copper(II) complexes with novel nanostructures","RSC Adv.","2015","","","","","10.1039/C5RA23254F","","","0.71073","MoKα","","0.2053","0.1431","","","0.2969","0.3247","","","","","","1.062","","","","has coordinates,has disorder","170415","2020-10-21","18:00:00",""
"7223315","14.6884","0.0003","20.5485","0.0005","32.5555","0.0008","90","","90","","90","","9826.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H52 N12 O10 S2 Zn2 -","- C46 H49 N12 O10 S2 Zn2 -","- C368 H392 N96 O80 S16 Zn16 -","8","1","","Fernandes, Christiane; Batista, Luana Carvalho; de Souza, Fernanda S.; de Assis, Vagner Machado; Seabra, Sergio Henrique; Bortoluzzi, Adailton J.; Horn, Adolfo; DaMatta, Renato Augusto","Antiproliferative activity and conversion of tachyzoite to bradyzoite of Toxoplasma gondii promoted by new zinc complexes containing sulfadiazine","RSC Adv.","2015","","","","","10.1039/C5RA17690E","","","0.71073","MoKα","","0.0628","0.048","","","0.1139","0.1218","","","","","","1.148","","","","has coordinates,has disorder","170417","2020-10-21","18:00:00",""
"7223317","13.2007","0.0007","17.5298","0.0009","20.1722","0.0011","90","","90","","90","","4668","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 Ni S2 -","- C22 H26 N6 Ni S2 -","- C176 H208 N48 Ni8 S16 -","8","1","","Paranthaman, Vijayan; Viswanathamurthi, Periasamy; Krishnaswamy, Velmurugan; Raju, Nandhakumar; Manickam Dakshinamoorthi, Bala Kumaran; PT, kalaichelvan; Malecki, Jan","Nickel(II) and copper(II) complexes constructed with N2S2 hybrid benzamidine-thiosemicarbazone ligand: Synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications","RSC Adv.","2015","","","","","10.1039/C5RA18568H","","x-ray","0.71073","MoKα","","0.0607","0.044","","","0.1096","0.118","","","","","","1.059","","","","has coordinates","170418","2020-10-21","18:00:00",""
"7223318","13.3637","0.0004","17.6802","0.0007","19.9696","0.0006","90","","90","","90","","4718.3","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cu N6 S2 -","- C22 H26 Cu N6 S2 -","- C176 H208 Cu8 N48 S16 -","8","1","","Paranthaman, Vijayan; Viswanathamurthi, Periasamy; Krishnaswamy, Velmurugan; Raju, Nandhakumar; Manickam Dakshinamoorthi, Bala Kumaran; PT, kalaichelvan; Malecki, Jan","Nickel(II) and copper(II) complexes constructed with N2S2 hybrid benzamidine-thiosemicarbazone ligand: Synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications","RSC Adv.","2015","","","","","10.1039/C5RA18568H","","x-ray","0.71073","MoKα","","0.0511","0.0372","","","0.091","0.0968","","","","","","1.049","","","","has coordinates","170418","2020-10-21","18:00:00",""
"7223338","12.2337","0.0011","9.5487","0.0008","13.0666","0.0013","90","","90","","90","","1526.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Ag N2 -","- C8 H7 Ag N2 -","- C64 H56 Ag8 N16 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.041","0.0334","","","0.0569","0.0597","","","","","","1.194","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223476","11.8317","0.0003","13.3857","0.0003","36.8172","0.0009","90","","90","","90","","5830.9","0.2","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Copper NOTI complex perchlorate","","","- C18 H30 Cl3 Cu N9 O13.3 -","- C18 H30 Cl3 Cu N9 O13.304 -","- C144 H240 Cl24 Cu8 N72 O106.432 -","8","1","","Gotzmann, Carla; Braun, Friederike; Bartholomä, Mark D","Synthesis,64Cu-labeling and PET imaging of 1,4,7-triazacyclononane derived chelators with pendant azaheterocyclic arms","RSC Adv.","2015","","","","","10.1039/C5RA21131J","","x-ray","0.71073","MoKα","","0.0678","0.0516","","","0.1145","0.1211","","","","","","1.139","","","","has coordinates,has disorder","171533","2020-10-21","18:00:00",""
"7223560","18.2467","0.0007","20.9491","0.0007","21.4267","0.0008","90","","90","","90","","8190.4","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GP-28","Organotinsiloxane","","- C44 H48 O2 Si2 Sn -","- C44 H48 O2 Si2 Sn -","- C352 H384 O16 Si16 Sn8 -","8","1","","Mohan, Gopalakrishnan; Nallasamy, Palanisami","New Sterically Hindered Tin(IV) Siloxane Precursors to Tinsilicate Materials: Synthesis, Spectral, Structural and Photocatalytic Studies","RSC Adv.","2015","","","","","10.1039/C5RA23424G","","","0.71073","MoKα","","0.0779","0.0375","","","0.0744","0.0924","","","","","","1.103","","","","has coordinates,has disorder","171626","2020-10-21","18:00:00",""
"7223592","16.874","0.003","10.8932","0.0019","17.308","0.003","90","","90","","90","","3181.4","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C160 H120 N8 O32 -","8","1","","Wang, Cunde; Xue, Shuwen; Yao, Juan; Liu, Jiaming; Wang, Lizhong; Liu, Xinyu","Three-Component Reaction between Substituted 2-(2-Nitrovinyl)-phenols, Acetylenedicarboxylate and Amines: Diversity-Oriented Synthesis of Novel Pyrrolo[3,4-c]coumarins","RSC Adv.","2015","","","","","10.1039/C5RA23392E","","","0.71073","MoKα","","0.1961","0.072","","","0.1431","0.1826","","","","","","0.996","","","","has coordinates","171681","2020-10-21","18:00:00",""
"7223602","11.0268","0.0007","19.1028","0.0013","70.103","0.005","90","","90","","90","","14766.7","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H104 Cl4 O8 V2 -","- C72 H104 Cl4 O8 V2 -","- C576 H832 Cl32 O64 V16 -","8","1","","Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl","Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide","RSC Adv.","2015","","","","","10.1039/C5RA24816G","","","0.71075","MoKα","","0.1055","0.0721","","","0.2001","0.2248","","","","","","1.043","","","","has coordinates,has disorder","171718","2020-10-21","18:00:00",""
"7223672","9.223","","9.538","","10.584","","90","","90","","90","","931.064","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","S P (N H2)3","","- H6 N3 P S -","- H6 N3 P S -","- H48 N24 P8 S8 -","8","1","","Schnick, W.","Synthese, Struktur und thermisches Verhalten von Thiophosphorsaeuretriamid SP(NH2)3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","942","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223721","20.9749","0.0014","19.1882","0.0006","13.2738","0.0004","90","","90","","90","","5342.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C248 H200 N24 O24 -","8","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0518","0.0394","","","0.094","0.1004","","","","","","1.04","","","","has coordinates,has disorder","175958","2020-10-21","18:00:00",""
"7223727","19.847","0.004","9.616","0.0019","23.793","0.005","90","","90","","90","","4540.9","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N10 -","- C16 H28 Cl2 N10 -","- C128 H224 Cl16 N80 -","8","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.152","0.1101","","","0.2366","0.2566","","","","","","1.141","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223815","15.65677","0.00016","15.8377","0.0002","17.8327","0.0002","90","","90","","90","","4421.93","0.09","279","2","279","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N6 Ni O6.5 -","- C23 H21 N6 Ni O6.5 -","- C184 H168 N48 Ni8 O52 -","8","1","","Chen, Yu; Yang, Juan; Wang, Xichi; Xu, Yuci; Xu, Huiling; Zeng, Xiaoshan; Xiao, Dongrong","Syntheses, structures and properties of five entangled coordination polymers constructed with trigonal N-donor ligands","RSC Adv.","2016","","","","","10.1039/C5RA19086J","","x-ray","1.54184","CuKα","","0.0395","0.0386","","","0.1029","0.1037","","","","","","1.079","","","","has coordinates","173686","2020-10-21","18:00:00",""
"7223823","5.341","","15.232","","11.084","","90","","90","","90","","901.729","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi (Bi0.12 Y0.88) (Ge O5)","","- Bi1.12 Ge O5 Y0.88 -","- Bi1.12 Ge O5 Y0.88 -","- Bi8.96 Ge8 O40 Y7.04 -","8","1","","Cascales, C.; Campa, J.A.; Gutierrez Puebla, E.; Monge, M.A.; Ruiz-Valero, C.; Rasines, I.","New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series","Journal of Materials Chemistry","2002","12","","3626","3630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223838","7.5034","0.0004","7.2125","0.0004","20.7854","0.0012","90","","90","","90","","1124.87","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54178","CuKα","","0.0282","0.0251","","","0.0691","0.0721","","","","","","1.127","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223850","12.5408","0.0003","11.0072","0.0003","14.1345","0.0004","90","","90","","90","","1951.11","0.09","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C64 H144 Cl8 N8 O8 -","8","1","","Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P.","Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C5CP07209C","","","0.71073","MoKα","","0.0467","0.0379","","","0.0903","0.0949","","","","","","1.068","","","","has coordinates","174381","2020-10-21","18:00:00",""
"7223973","24.029","0.001","10.9805","0.0005","24.3497","0.001","90","","90","","90","","6424.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil Citrate (Viagra)","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate","","- C28 H39 N6 O11.5 S -","- C28 H39 N6 O11.5 S -","- C224 H312 N48 O92 S8 -","8","1","","Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul","Characterising the role of water in sildenafil citrate by NMR crystallography","CrystEngComm","2016","18","6","1054","","10.1039/C5CE02234G","","","0.71073","Mo-Kα","","0.1071","0.0524","","","0.1263","0.1632","","","","","","0.991","","","","has coordinates","175962","2020-10-21","18:00:00",""
"7224065","11.863","0.001","14.09","0.001","14.457","0.001","90","","90","","90","","2416.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-methyl-N-oxymorpholinium phenyl phosphate","4-methylmorpholino-4-ium phenyl phosphate","","- C11 H16 N O5 P -","- C11 H16 N O5 P -","- C88 H128 N8 O40 P8 -","8","1","","Materna, Magdalena; Stawinski, Jacek; Kiliszek, Agnieszka; Rypniewski, Wojciech; Sobkowski, Michal","Oxyonium phosphobetaines ‒ unusually stable nucleophilic catalyst-phosphate complexes formed from H-phosphonates and N-oxides","RSC Adv.","2016","","","","","10.1039/C5RA27465F","","","0.88561","synchrotron","","0.0475","0.0431","","","0.1216","0.1265","","","","","","1.071","","","","has coordinates","175318","2020-10-21","18:00:00",""
"7224103","20.892","0.01","24.47","0.011","25.238","0.011","90","","90","","90","","12902","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H12 Br4 O16 Zn3 -","- C32 H12 Br4 O16 Zn3 -","- C256 H96 Br32 O128 Zn24 -","8","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.126","0.0803","","","0.2071","0.2324","","","","","","0.958","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224121","10.4951","0.0007","8.104","0.0005","18.3689","0.0011","90","","90","","90","","1562.32","0.17","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-Pyrrolidine-1-yl-pyridine","","","- C9 H12 N2 -","- C9 H12 N2 -","- C72 H96 N16 -","8","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0439","0.0369","","","0.093","0.1006","","","","","","1.07","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224128","10.972","0.005","16.101","0.005","37.978","0.005","90","","90","","90","","6709","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H33 N5 O7 Zn -","- C35 H33 N5 O7 Zn -","- C280 H264 N40 O56 Zn8 -","8","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.121","0.0729","","","0.1775","0.216","","","","","","1.014","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224161","9.06","0.0005","9.2136","0.0005","25.37","0.0014","90","","90","","90","","2117.8","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N3 O3 P S -","- C5 H14 N3 O3 P S -","- C40 H112 N24 O24 P8 S8 -","8","1","","Gholivand, Khodayar; Ebrahimi valmoozi, Ali Asghar; asadi, lida; hodaie, merat; sharifi, mahboobeh; Mazruee Kashani, hadi; Mahzouni, Hamid R.; Ghadamyari, Mohammad; kalateh, Ali Asghar; davari, ehsan; salehi, sami; Bonsaii, Mahyar","Phosphorhydrazides inhibitors: toxicological profile and antimicrobial evaluation assay, molecular modeling and QSAR study","RSC Adv.","2016","","","","","10.1039/C5RA24209F","","","0.71073","MoKα","","0.05","0.0462","","","0.1046","0.1067","","","","","","1.043","","","","has coordinates,has disorder","176245","2020-10-21","18:00:00",""
"7224184","13.7231","0.0015","11.922","0.0013","18.0712","0.0019","90","","90","","90","","2956.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 O2 Ru -","- C12 H8 I2 N2 O2 Ru -","- C96 H64 I16 N16 O16 Ru8 -","8","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0324","0.0235","","","0.049","0.0522","","","","","","1.079","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224261","9.307","0.0003","16.5482","0.0005","32.8832","0.0009","90","","90","","90","","5064.5","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acridine","9,9-dimethyl-2-nitro-9,10-dihydroacridine","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C240 H224 N32 O32 -","16","2","","Gedu, Satyanarayana; Lodi, Mahendar","Copper Catalyzed Coupling of Protecting Group Free and Sterically Hindered 2-Bromobenzyl Tertiary Alcohols with Phenols and Anilines: Facile Synthesis of Xanthenes and Dihydroacridines","RSC Adv.","2016","","","","","10.1039/C6RA03447K","","","1.54184","CuKα","","0.0611","0.0485","","","0.1289","0.1424","","","","","","1.0667","","","","has coordinates","176464","2020-10-21","18:00:00",""
"7224270","17.819","0.002","16.0039","0.0018","19.235","0.002","90","","90","","90","","5485.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Cl2 Cu N2 -","- C32 H28 Cl2 Cu N2 -","- C256 H224 Cl16 Cu8 N16 -","8","1","","tian, jianwen; He, Xiaohui; Liu, Jingyin; Deng, Xiaodan; Chen, Defu","Palladium(II) and copper(II) chloride complexes bearing bulky α-diimine ligands as catalysts for norbornene vinyl-addition (co)polymerization","RSC Adv.","2016","","","","","10.1039/C5RA23970B","","","0.71073","MoKα","","0.0723","0.0423","","","0.0958","0.1105","","","","","","1.085","","","","has coordinates","176500","2020-10-21","18:00:00",""
"7224300","8.334","0.0005","19.705","0.0018","42.118","0.004","90","","90","","90","","6916.7","1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H42 B Ge N3 Te2 -","- C34 H42 B Ge N3 Te2 -","- C272 H336 B8 Ge8 N24 Te16 -","8","1","","Böserle, Jiří; Alonso, Mercedes; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Synthesis and reactivity of a germylene stabilized by a boraguanidinate ligand","RSC Adv.","2016","6","23","19377","","10.1039/C6RA01187J","","","0.71073","MoKα","","0.0517","0.0371","","","0.062","0.0664","","","","","","1.215","","","","has coordinates","176720","2020-10-21","18:00:00",""
"7224317","10.318","0.0016","12.0004","0.0019","16.682","0.003","90","","90","","90","","2065.6","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C96 H112 N16 O8 -","8","1","","Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar","Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage","RSC Adv.","2016","","","","","10.1039/C6RA00388E","","","0.71073","MoKα","","0.0698","0.0619","","","0.1957","0.2052","","","","","","0.968","","","","has coordinates","176750","2020-10-21","18:00:00",""
"7224327","10.9333","0.0006","18.054","0.0011","21.5317","0.0014","90","","90","","90","","4250.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N4 O3 -","- C26 H20 N4 O3 -","- C208 H160 N32 O24 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.101","0.0543","","","0.1132","0.135","","","","","","1.039","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224378","13.4208","0.0015","6.0747","0.0007","19.193","0.002","90","","90","","90","","1564.8","0.3","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H6 Br2 N2 O2 -","- C4 H6 Br2 N2 O2 -","- C32 H48 Br16 N16 O16 -","8","1","","Aitken, Kati M.; Aitken, R. Alan; Slawin, Alexandra MZ","Novel reaction of 3,4-dibromofuran with azo diesters to give tetrahydropyridazinones","RSC Adv.","2016","","","","","10.1039/C6RA02735K","","","0.7107","MoKα","","0.0378","0.0326","","","0.0756","0.0785","","","","","","1.065","","","","has coordinates","176859","2020-10-21","18:00:00",""
"7224399","14.2044","0.0009","7.8754","0.0005","22.2696","0.0013","90","","90","","90","","2491.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd N3 O8 -","- C9 H11 Cd N3 O8 -","- C72 H88 Cd8 N24 O64 -","8","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0255","0.0208","","","0.0525","0.0552","","","","","","0.919","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224455","12.5084","0.0005","19.1468","0.0009","22.4328","0.0009","90","","90","","90","","5372.6","0.4","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C192 H160 Cd16 N48 O64 -","4","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.1019","0.0571","","","0.0979","0.1092","","","","","","1.09","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224474","7.395","0.0005","5.8775","0.0004","80.76","0.006","90","","90","","90","","3510.2","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C46 H54 O2 -","- C46 H54 O2 -","- C184 H216 O8 -","4","0.5","","Mitsui, Chikahiko; Tanaka, Yuji; Tanaka, Shota; Yamagishi, Masakazu; Nakahara, Katsumasa; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Matsui, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro","High Performance Oxygen-bridged N-shaped Semiconductors with Stabilized Crystal Phase and Blue Luminescence","RSC Adv.","2016","","","","","10.1039/C6RA00922K","","","1.54187","CuKα","","","0.1178","","","","0.3051","","","","","","1.06","","","","has coordinates","177175","2020-10-21","18:00:00",""
"7224523","10.5425","0.0003","16.0431","0.0004","25.3246","0.0006","90","","90","","90","","4283.26","0.19","220","0.1","220","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Fu, Xue; Li, Jianhui; Wang, Lianyan; Wu, Bing; Xu, Xu; Deng, Zongwu; Zhang, Hailu","Pharmaceutical Crystalline Complexes of Sulfamethazine with Saccharin: Same Interaction Site but Different Ionization States","RSC Adv.","2016","","","","","10.1039/C5RA27759K","","x-ray","0.71073","MoKα","","0.0559","0.0398","","","0.1283","0.1428","","","","","","1.013","","","","has coordinates","177653","2020-10-21","18:00:00",""
"7224547","17.342","0.0003","15.8773","0.0002","18.855","0.0003","90","","90","","90","","5191.61","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1822","0.1884","","","","","","1.122","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224579","18.8071","0.0011","17.3656","0.001","21.0146","0.0012","90","","90","","90","","6863.3","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 Cu2 F24 O29 Ti4 -","- C44 H60 Cu2 F24 O29 Ti4 -","- C176 H240 Cu8 F96 O116 Ti16 -","4","0.5","","Mazhar, Muhammad; Ehsan, Muhammad Ali; Naeem, Rabia; McKee, Vickie; Abbas, Hakeem; Pandikumar, Alagarsamy; Ming, Huang Nay","Electrochemical Sensing of Nitrite using Copper-Titanium Oxide Composite Derived from Hexanuclear Complex","RSC Adv.","2016","","","","","10.1039/C6RA00104A","","","0.71073","MoKα","","0.1247","0.0673","","","0.1772","0.2173","","","","","","1.015","","","","has coordinates,has disorder","178139","2020-10-21","18:00:00",""
"7224599","16.7533","0.0018","29.152","0.003","31.755","0.003","90","","90","","90","","15509","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H116 O8 Se2 Sn4 -","- C56 H114 O8 Se2 Sn4 -","- C448 H912 O64 Se16 Sn32 -","8","1","","Li, Qianli; Cheng, Shuang; Zhang, Rufen; Shi, Yang; ma, chunlin","Novel organotin complexes derive from 2, 2´-selenodiacetic acid： synthesis, and biological evaluation","RSC Adv.","2016","","","","","10.1039/C6RA01948J","","","0.71073","MoKα","","0.2797","0.091","","","0.1939","0.2243","","","","","","1.132","","","","has coordinates","178167","2020-10-21","18:00:00",""
"7224711","12.6077","0.0007","7.6101","0.0004","36.685","0.002","90","","90","","90","","3519.8","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-TPTZ-2","5-(5-nitrothiophen-2-yl)-4-phenyl-2-(piperidin-1-yl)thiazole","","- C18 H17 N3 O2 S2 -","- C18 H17 N3 O2 S2 -","- C144 H136 N24 O16 S16 -","8","1","","Radhakrishnan, Rakesh; Kumaran, Sreejalekshmi Girija","Fluorophores Based on a Minimal Thienylthiazole Core: Towards Multifunctional Materials with Solid State Red Emissions, Solvatochromism and AIE Behaviour","RSC Adv.","2016","","","","","10.1039/C6RA00672H","","","0.71073","MoKα","","0.0866","0.0499","","","0.1015","0.1155","","","","","","1.058","","","","has coordinates","179723","2020-10-21","18:00:00",""
"7224745","8.8215","0.0008","11.1197","0.001","21.054","0.002","90","","90","","90","","2065.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H7 Bi N4 O8 -","- C5 H3 Bi N4 O8 -","- C40 H24 Bi8 N32 O64 -","8","1","","Kang, Li; Wei, Zhixian; Song, Jiang-Feng; Qu, Yuanyuan; Wang, Yale","Two new energetic coordination compounds based on Tetrazole-1-acetic acid: Syntheses, crystal structures and their synergistic catalytic effect for thermal decomposition of ammonium perchlorate","RSC Adv.","2016","","","","","10.1039/C6RA02034H","","","0.71073","MoKα","","0.0407","0.033","","","0.0822","0.0862","","","","","","1.068","","","","has coordinates","180613","2020-10-21","18:00:00",""
"7224748","10.4479","0.0002","20.6292","0.0003","27.0817","0.0004","90","","90","","90","","5836.97","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Br Cl N O4 -","- C33 H29 Br Cl N O4 -","- C264 H232 Br8 Cl8 N8 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil Kumar","Synthesis of highly functionalized [3]dendralenes and their Diels-Alder reaction displaying unexpected regioselectivity","RSC Adv.","2016","","","","","10.1039/C6RA01729K","","","1.5418","CuKα","","0.0493","0.043","","","0.1152","0.1216","","","","","","1.045","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7224759","10.3129","0.0005","7.646","0.0003","36.7642","0.0015","90","","90","","90","","2898.9","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Oxaprozin","Oxaprozin","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","","Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol","RSC Adv.","2016","","","","","10.1039/C6RA01802E","","","0.71073","MoKα","","0.069","0.0612","","","0.1529","0.1579","","","","","","1.062","","","","has coordinates","180648","2020-10-21","18:00:00",""
"7224814","18.6631","0.0005","18.8121","0.0005","19.0739","0.0005","90","","90","","90","","6696.7","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H30 N10 Ni2 O5 -","- C35 H30 N10 Ni2 O5 -","- C280 H240 N80 Ni16 O40 -","8","1","","Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita","Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues","RSC Adv.","2016","","","","","10.1039/C6RA02982E","","","0.71073","MoKα","","0.0447","0.0287","","","0.0642","0.0717","","","","","","1.021","","","","has coordinates","181507","2020-10-21","18:00:00",""
"7224836","18.3822","0.0014","10.3349","0.0009","21.4316","0.0018","90","","90","","90","","4071.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Jiang, Yan-Hong; Xiao, Man; Yan, Chao Guo","Convenient synthesis of functionalized pyrrolo[3,4-b]pyridines and pyrrolo[3,4-b]quinolines via three-component reactions","RSC Adv.","2016","","","","","10.1039/C6RA03165J","","","0.71073","MoKα","","0.0902","0.054","","","0.1267","0.1438","","","","","","1.022","","","","has coordinates","181851","2020-10-21","18:00:00",""
"7224851","9.7965","0.0005","19.2984","0.001","24.7574","0.0012","90","","90","","90","","4680.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H44 N12 Na2 O34 Zn5 -","- C30 H44 N12 Na2 O34 Zn5 -","- C120 H176 N48 Na8 O136 Zn20 -","4","0.5","","Li, Shuang; Song, Jian; Ni, Jue chen; Wang, Zhi Nan; Gao, Xue; Shi, Zhan; Bai, Fengying; Xing, Yong Heng","Photoelectric properties and potential nitro derivatives sensing by a highly luminescent of Zn (II) and Cd (II) metal-organic frameworks assembled by the flexible hexapodal ligand, 1,3,5-triazine-2,4,6-triamine hexaacetic acid","RSC Adv.","2016","","","","","10.1039/C6RA01933A","","","0.71073","MoKα","","0.0975","0.0472","","","0.0872","0.1015","","","","","","1.009","","","","has coordinates","181952","2020-10-21","18:00:00",""
"7224906","10.2928","0.0013","20.805","0.003","21.558","0.003","90","","90","","90","","4616.5","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H17 Eu N2 O8 -","- C27 H17 Eu N2 O8 -","- C216 H136 Eu8 N16 O64 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Du, Xi; Wang, Ping; Yang, Yulin","Assembly of one-, two-, and three-dimensional Ln(iii) complexes constructed from a novel asymmetric tricarboxylic acid: synthesis, structure, photoluminescence and tunable white-light emission","CrystEngComm","2016","18","20","3711","","10.1039/C6CE00483K","","","0.71073","MoKα","","0.2005","0.0707","","","0.1571","0.2331","","","","","","1.043","","","","has coordinates","185233","2020-10-21","18:00:00",""
"7224955","11.55","0.002","11.294","0.002","33.009","0.006","90","","90","","90","","4305.9","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C224 H160 N16 O16 -","8","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0905","0.0451","","","0.105","0.1273","","","","","","1.008","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7225013","14.2649","0.0005","18.1921","0.0005","23.1012","0.0007","90","","90","","90","","5995","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Br12 Cl2 N10 Pt -","- C42 H50 Br12 Cl2 N10 Pt -","- C168 H200 Br48 Cl8 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.0929","0.0587","","","0.114","0.1291","","","","","","1.115","","","","has coordinates,has disorder","183790","2020-10-21","18:00:00",""
"7225014","13.1946","0.0002","17.8886","0.0002","23.6588","0.0003","90","","90","","90","","5584.26","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cl14 D2 N10 Pt -","- C42 H50 Cl14 N10 Pt -","- C168 H200 Cl56 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.057","0.0288","","","0.0545","0.0626","","","","","","1.024","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225028","7.1114","0.0002","14.9091","0.0004","20.5365","0.0006","90","","90","","90","","2177.37","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C88 H88 N24 O8 S8 -","8","1","","Sukhikh, Taisiya Sergeevna; Bashirov, Denis Aleksandrovich; Ogienko, Darya; Kuratieva, Natalia; Sherin, Peter Sergeevich; Rakhmanova, Marianna I.; Chulanova, Elena Aleksandrovna; Gritsan, Nina Pavlovna; Konchenko, Sergey Nikolaevich; Zibarev, Andrey Viktorovich","Novel luminescent β-ketoimine derivative of 2,1,3-benzothiadiazole: synthesis, complexation with Zn(II) and photophysical properties in comparison with related compounds","RSC Adv.","2016","","","","","10.1039/C6RA06547C","","x-ray","0.71073","MoKα","","0.0567","0.04","","","0.1047","0.112","","","","","","1.054","","","","has coordinates","182380","2020-10-21","18:00:00",""
"7225041","13.514","0.003","10.494","0.002","16.226","0.003","90","","90","","90","","2301.1","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-ditellura-2-thiaferrocenophane","","- C10 H8 Fe S Te2 -","- C10 H8 Fe S Te2 -","- C80 H64 Fe8 S8 Te16 -","8","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.1264","0.0683","","","0.0819","0.0933","","","","","","1.168","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225146","18.2485","0.0006","15.8544","0.0006","28.0187","0.0009","90","","90","","90","","8106.3","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 F12 Gd N3 Ni O10 -","- C35 H26 F12 Gd N3 Ni O10 -","- C280 H208 F96 Gd8 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0513","0.0363","","","0.0798","0.0884","","","","","","0.964","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225147","18.235","0.0011","15.8583","0.0011","28.0209","0.0019","90","","90","","90","","8103","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 Dy F12 N3 Ni O10 -","- C35 H26 Dy F12 N3 Ni O10 -","- C280 H208 Dy8 F96 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.062","0.0358","","","0.0741","0.0849","","","","","","1.02","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225178","24.5009","0.0007","21.006","0.0006","35.5102","0.0011","90","","90","","90","","18275.9","0.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53 Ce Fe2 N6 O87 P2 W20 -","- C10 Ce0.99 Fe2 N6 O87 P2 W20 -","- C80 Ce7.92 Fe16 N48 O696 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1415","0.0726","","","0.1401","0.1646","","","","","","1.064","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225179","24.4846","0.0014","21.2236","0.0013","35.6854","0.0016","90","","90","","90","","18544","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H57 Fe2 La N6 O89 P2 W20 -","- C10 Fe2 La N6 O84 P2 W20 -","- C80 Fe16 La8 N48 O672 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.2144","0.0865","","","0.1245","0.151","","","","","","1.036","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225210","17.591","0.003","17.971","0.003","18.534","0.003","90","","90","","90","","5859.1","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F18 N P -","- C22 H36 F18 N P -","- C176 H288 F144 N8 P8 -","8","1","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.097","0.0745","","","0.1165","0.124","","","","","","1.185","","","","has coordinates,has disorder","183793","2020-10-21","18:00:00",""
"7225342","10.1947","0.0006","8.73","0.0005","34.4274","0.0016","90","","90","","90","","3064","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 O P -","- C19 H15 O P -","- C152 H120 O8 P8 -","8","1","","Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran","Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase","RSC Adv.","2016","6","57","51683","","10.1039/C6RA07477D","","","0.71073","MoKα","","0.0821","0.0548","","","0.1148","0.1291","","","","","","1.065","","","","has coordinates","183095","2020-10-21","18:00:00",""
"7225344","18.8352","0.0011","19.9178","0.0007","21.3951","0.0006","90","","90","","90","","8026.5","0.6","293","2","293","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","cis-[RuCl(CH3OH)(dppb)(bipy)](PF6)","CBMet","","- C40 H44 Cl F6 N2 O2 P3 Ru -","- C40 H44 Cl F6 N2 O2 P3 Ru -","- C320 H352 Cl8 F48 N16 O16 P24 Ru8 -","8","1","","Souza, Lanarck C.; Santos, Thiago A.; do Prado, Cássio R.A.; Lima, Benedito A. V.; Correa, Rodrigo S.; Batista, Alzir A.; Otubo, Larissa; Ellena, Javier A.; Ueno, Leonardo Tsuyoshi; Dinelli, Luís Rogério; Bogado, André Luiz","Influence of gold nanoparticles applied to catalytic hydrogenation of acetophenone with cationic complexes containing ruthenium","RSC Adv.","2016","","","","","10.1039/C6RA05616D","","x-ray","0.71073","MoKα","","0.0815","0.0516","","","0.1303","0.1464","","","","","","1.022","","","","has coordinates,has disorder","183096","2020-10-21","18:00:00",""
"7225387","14.6652","0.0004","8.6882","0.0003","26.0272","0.0008","90","","90","","90","","3316.23","0.18","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1105","0.0723","","","0.1949","0.2471","","","","","","1.018","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225388","14.6606","0.0018","8.689","0.0012","25.95","0.004","90","","90","","90","","3305.7","0.8","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1301","0.0648","","","0.1692","0.217","","","","","","0.912","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225577","9.3748","0.0016","7.8979","0.0013","26.98","0.004","90","","90","","90","","1997.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C88 H80 N16 S8 -","8","1","","Zeng, Fanxun; Liu, Pengjian; Li, Z.; Shao, Xusheng; Xu, Xiaoyong","Catalyst-Free and Selective Synthesis of 2-Aminothiophenes and 2-Amino-4,5-dihydrothiophenes from 4-Thiazolidinones in Water","RSC Adv.","2016","","","","","10.1039/C6RA11151C","","","0.71073","MoKα","","0.0525","0.0412","","","0.1097","0.1185","","","","","","1.05","","","","has coordinates","183667","2020-10-21","18:00:00",""
"7225618","8.133","0.0011","11.3031","0.0013","23.884","0.004","90","","90","","90","","2195.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1025","0.0538","","","0.1338","0.1783","","","","","","0.943","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225619","8.1071","0.0011","11.3252","0.0012","23.827","0.004","90","","90","","90","","2187.7","0.5","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0807","0.0399","","","0.0884","0.1078","","","","","","0.923","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225620","8.0808","0.0011","11.3449","0.0012","23.766","0.004","90","","90","","90","","2178.8","0.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0804","0.0405","","","0.0944","0.1189","","","","","","0.984","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225621","8.0565","0.001","11.3647","0.0012","23.719","0.004","90","","90","","90","","2171.7","0.5","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0465","","","0.1129","0.1474","","","","","","0.997","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225622","8.0324","0.001","11.3875","0.0011","23.665","0.003","90","","90","","90","","2164.6","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0818","0.0491","","","0.124","0.1581","","","","","","1.019","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225623","8.0056","0.0009","11.4027","0.0011","23.615","0.003","90","","90","","90","","2155.7","0.4","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0864","0.0565","","","0.1477","0.1754","","","","","","1.016","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225624","7.9837","0.001","11.4209","0.0012","23.589","0.003","90","","90","","90","","2150.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0432","","","0.104","0.1174","","","","","","0.927","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225625","7.9621","0.001","11.4304","0.0013","23.548","0.004","90","","90","","90","","2143.1","0.5","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0759","0.0423","","","0.095","0.1066","","","","","","0.889","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225626","7.9445","0.0011","11.4431","0.0014","23.524","0.004","90","","90","","90","","2138.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0858","0.0458","","","0.1015","0.1151","","","","","","0.894","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225627","7.8988","0.0008","11.3424","0.0012","23.327","0.01","90","","90","","90","","2089.9","0.9","293","2","293","2","500000","","500000","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1999","0.0775","","","0.1747","0.2431","","","","","","1.021","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225659","7.917","0.006","22.675","0.014","25.49","0.02","90","","90","","90","","4576","6","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 -","- C32 H24 N2 -","- C256 H192 N16 -","8","1","","Chen, Wei-Chen; Parthasarathy, Gandeepan; Tsai, Chia-Hung; Luo, Ching-Zong; Rajamalli, Pachaiyappan; Cheng, Chien Hong","A Concise Synthesis of Quinolinium, and Biquinolinium Salts and Biquinolines from Benzylic Azides and Alkenes Promoted by Copper(II) Species","RSC Adv.","2016","","","","","10.1039/C6RA11840B","","","0.71073","MoKα","","0.3434","0.0946","","","0.1475","0.2222","","","","","","0.915","","","","has coordinates","183903","2020-10-21","18:00:00",""
"7225703","10.5874","0.0004","10.2833","0.0003","25.2185","0.001","90","","90","","90","","2745.62","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(1,5,3-dithiazepan-3-yl)-2-phenylpropanoic acid","","- C13 H17 N O2 S2 -","- C13 H17 N O2 S2 -","- C104 H136 N8 O16 S16 -","8","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0558","0.0464","","","0.1113","0.1176","","","","","","1.11","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225770","9.1061","0.0004","14.8919","0.0008","17.2862","0.001","90","","90","","90","","2344.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","","Wu, Chun-Ku; Yang, Ding-Yah","Visible-Light-Mediated Reaction: Synthesis of Quinazolinones from 1,2-Dihydroquinazoline 3-Oxides","RSC Adv.","2016","","","","","10.1039/C6RA13972H","","x-ray","0.71073","MoKα","","0.0593","0.0471","","","0.1144","0.1225","","","","","","1.031","","","","has coordinates","184074","2020-10-21","18:00:00",""
"7225880","16.9847","0.0011","24.2343","0.0016","36.286","0.002","90","","90","","90","","14935.8","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H58 B Ce3 N2 O77 W12 -","- C14 H58 B Ce3 N2 O77 W12 -","- C112 H464 B8 Ce24 N16 O616 W96 -","8","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0855","0.0514","","","0.1052","0.1225","","","","","","1.042","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225953","14.067","0.003","17.217","0.003","18.001","0.004","90","","90","","90","","4359.7","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N2 O5 P -","- C23 H25 N2 O5 P -","- C184 H200 N16 O40 P8 -","8","1","","Cai, Yan; Li, Yuming; Zhang, Minxuan; Fu, Jiaxin; Miao, Zhiwei","Regioselective BF3·Et2O-catalyzed C-H Functionalization of Indoles and Pyrrole with Reaction of α-Diazophosphonates","RSC Adv.","2016","","","","","10.1039/C6RA15329A","","","0.71073","MoKα","","0.1314","0.0992","","","0.2308","0.2509","","","","","","1.025","","","","has coordinates,has disorder","184495","2020-10-21","18:00:00",""
"7225999","7.9321","0.0002","14.7305","0.0003","27.7895","0.0006","90","","90","","90","","3247.03","0.13","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ce N4 O11 -","- C12 H11 Ce N4 O11 -","- C96 H88 Ce8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0388","0.0223","","","0.0402","0.0425","","","","","","1.003","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226000","7.9559","0.0005","14.7492","0.0008","27.8802","0.0018","90","","90","","90","","3271.6","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 La N4 O11 -","- C12 H11 La N4 O11 -","- C96 H88 La8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0579","0.031","","","0.0446","0.0499","","","","","","1.01","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226013","11.1138","0.0009","16.303","0.002","18.1646","0.0017","90","","90","","90","","3291.2","0.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H8 Cu F9 N2 -","- C15 H8 Cu F9 N2 -","- C120 H64 Cu8 F72 N16 -","8","1","","Zhang, Songlin; Bie, Wen-Feng","Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids","RSC Adv.","2016","","","","","10.1039/C6RA10302B","","","0.71073","MoKα","","0.1389","0.09","","","0.2405","0.2713","","","","","","1.088","","","","has coordinates,has disorder","184640","2020-10-21","18:00:00",""
"7226031","11.177","0.004","10.727","0.004","29.751","0.011","90","","90","","90","","3567","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","FM2","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C160 H176 N16 O48 -","8","1","","Zhang, Jingwen; Wang, Chao; Zhang, Lei; Wu, Huijing; Xiao, Yi; xu, yufang; Qian, Xu Hong; Zhu, Weiping","Novel nonplanar and rigid fluorophores with intensive emission in water and the application in two-photon imaging of live cells","RSC Adv.","2016","","","","","10.1039/C6RA13226J","","","0.71073","MoKα","","0.1455","0.0687","","","0.129","0.1587","","","","","","1.018","","","","has coordinates","184648","2020-10-21","18:00:00",""
"7226034","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.0931","0.058","","","0.1349","0.1553","","","","","","1.032","","","","has coordinates","187040","2020-10-21","18:00:00",""
"7226062","11.483","0.002","10.012","0.002","25.315","0.005","90","","90","","90","","2910.4","1","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","","Guo, Hongchao; Wu, Yang; Liu, Honglei; Zhang, Lei; Sun, Zhanhu; Xiao, Yumei; Huang, Jiaxing; Wang, Min","Ag-Catalyzed Diastereoselective [6+3] Cycloaddition of Tropone with Homoserine Lactone-Derived Azomethine Ylides: Synthesis of Tricyclic Spiropiperidine","RSC Adv.","2016","","","","","10.1039/C6RA14018A","","","0.71073","MoKα","","0.0828","0.0692","","","0.1149","0.1199","","","","","","1.217","","","","has coordinates","184702","2020-10-21","18:00:00",""
"7226099","11.1742","0.0007","9.5722","0.0006","34.645","0.002","90","","90","","90","","3705.7","0.4","200","2","200","2","","","","","","","Synthesized","6","P b c a","-P 2ac 2ab","61","thioester","S-phenyl 2-(5-bromo-3-(dicyanomethyl)-2-oxoindolin-3-yl)ethanethioate","","- C19 H12 Br N3 O2 S -","- C19 H12 Br N3 O2 S -","- C152 H96 Br8 N24 O16 S8 -","8","1","","Guo, Yi-Lin; Li, Yu-Hsun; Chang, Hsuan-Hao; Kuo, Ting-Shen; Han, Jeng-Liang","Molecular sieve mediated sequential Knoevenagel condensation/decarboxylative Michael addition reaction: an efficient and mild condition for the synthesis of 3,3-disubstituted oxindoles with all carbon quaternary center","RSC Adv.","2016","","","","","10.1039/C6RA16975A","","","0.71073","MoKα","","0.0418","0.0308","","","0.0941","0.1013","","","","","","1.055","","","","has coordinates","184790","2020-10-21","18:00:00",""
"7226176","8.2166","0.0006","15.0686","0.001","22.6298","0.0015","90","","90","","90","","2801.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 3,4,4-trimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline-7-carboxylate","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C120 H136 N24 O16 -","8","1","","Chen, Li-Hsun; Kao, Chih-Hsien; DHOLE, SANDIP; Barve, Indrajeet; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming","Regioselective Synthesis of Imidazo[1,5-a]quinoxalines and Methyl N-Phenylbenzimidats on Ionic Liquid Support","RSC Adv.","2016","","","","","10.1039/C6RA11861E","","","0.71073","MoKα","","0.0585","0.0438","","","0.1096","0.1185","","","","","","1.033","","","","has coordinates","185051","2020-10-21","18:00:00",""
"7226195","7.169","0.003","13.975","0.006","18.344","0.009","90","","90","","90","","1837.8","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N4 O2 -","- C7 H5 Br N4 O2 -","- C56 H40 Br8 N32 O16 -","8","1","","Kumar, Arvind; Kumar, Satyanand; Khajuria, Yugal; Awasthi, Satish Kumar","A comparative study between heterogeneous stannous chloride loaded silica nanoparticles and a homogeneous stannous chloride catalyst in the synthesis of 5-substituted 1H-tetrazole","RSC Adv.","2016","6","79","75227","","10.1039/C6RA14352K","","","0.71073","MoKα","","0.2494","0.1185","","","0.2771","0.3868","","","","","","0.924","","","","has coordinates","185704","2020-10-21","18:00:00",""
"7226218","18.456","0.002","7.9351","0.0007","19.4327","0.0019","90","","90","","90","","2845.9","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H13 B F2 N2 O2 -","- C15 H13 B F2 N2 O2 -","- C120 H104 B8 F16 N16 O16 -","8","1","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0831","0.039","","","0.0907","0.1176","","","","","","1.073","","","","has coordinates","185749","2020-10-21","18:00:00",""
"7226252","15.2154","0.0011","11.9065","0.0009","17.0387","0.0014","90","","90","","90","","3086.8","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl3 N2 S -","- C13 H13 Cl3 N2 S -","- C104 H104 Cl24 N16 S8 -","8","1","","Andleeb, Sohaila; Imtiaz-ud-Din, Imtiaz-ud-Din; Rauf, Muhammad Khawar; Azam, Syed Sikander; Badshah, Amin; Sadaf, Haseeba; Raheel, Ahmad; Tahir, Muhammad Nawaz; Raza, Saad","A One-pot Multicomponent Facile Synthesis of Dihydropyrimidin-2(1H)-thione Derivatives using Triphenylgermane as a Catalyst and its Binding Pattern Validation","RSC Adv.","2016","","","","","10.1039/C6RA19162B","","","0.71073","MoKα","","0.0364","0.0284","","","0.0741","0.0809","","","","","","1.033","","","","has coordinates","185822","2020-10-21","18:00:00",""
"7226263","12.049","0.003","7.1678","0.0019","35.147","0.009","90","","90","","90","","3035.5","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(((propan-2-ylideneamino)oxy)methyl)phenyl benzoate","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","","Ji, Yafei; Shao, Ling-Yan; Li, Chao; Guo, Ying; Yu, Kun-Kun; Zhao, Fei-Yi; Qiao, Wen-Li; Liu, Hong-Wei; Liao, Dao-Hua","Pd-Catalyzed Direct Oxidative mono-Aroyloxylation of O-Aralkyl Substituted Acetoxime Ethers","RSC Adv.","2016","","","","","10.1039/C6RA16105G","","","0.71073","MoKα","","0.0913","0.0553","","","0.1462","0.1661","","","","","","1.023","","","","has coordinates","185826","2020-10-21","18:00:00",""
"7226273","12.098","0.002","8.3128","0.0011","31.328","0.006","90","","90","","90","","3150.6","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","","J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group","RSC Adv.","2016","","","","","10.1039/C6RA18861C","","","0.71073","MoKα","","0.0712","0.0424","","","0.1024","0.1221","","","","","","1.02","","","","has coordinates","185861","2020-10-21","18:00:00",""
"7226368","12.65","0.005","16.695","0.006","22.988","0.009","90","","90","","90","","4855","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H23 F6 O5 P -","- C23 H23 F6 O5 P -","- C184 H184 F48 O40 P8 -","8","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.0985","0.052","","","0.1426","0.1825","","","","","","1.094","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226411","15.4084","0.0008","7.7845","0.0004","27.4631","0.0014","90","","90","","90","","3294.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl N3 O2 S -","- C15 H16 Cl N3 O2 S -","- C120 H128 Cl8 N24 O16 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0866","0.0397","","","0.0578","0.0654","","","","","","1.085","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226439","9.082","0.002","5.4849","0.0013","16.575","0.004","90","","90","","90","","825.7","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-diamino-3,6-dinitropyrazolo[4,3-c]pyrazole","","- C4 H4 N8 O4 -","- C4 H4 N8 O4 -","- C16 H16 N32 O16 -","4","0.5","","Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie","Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole","RSC Adv.","2016","","","","","10.1039/C6RA19556C","","","0.71073","MoKα","","0.0307","0.0291","","","0.0816","0.0834","","","","","","1.049","","","","has coordinates","186120","2020-10-21","18:00:00",""
"7226467","11.962","0.0014","11.315","0.0013","36.656","0.004","90","","90","","90","","4961.4","1","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ag2 N8 O7 S -","- C18 H32 Ag2 N8 O7 S -","- C144 H256 Ag16 N64 O56 S8 -","8","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0378","0.0334","","","0.0768","0.0787","","","","","","1.147","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226497","7.1786","0.0003","20.0394","0.0012","20.1954","0.0008","90","","90","","90","","2905.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Cl2 O3 -","- C15 H12 Cl2 O3 -","- C120 H96 Cl16 O24 -","8","1","","Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli","A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins","RSC Adv.","2016","6","88","85182","","10.1039/C6RA20101F","","","1.54184","CuKα","","0.1305","0.124","","","0.3392","0.3637","","","","","","1.083","","","","has coordinates","186280","2020-10-21","18:00:00",""
"7226518","10.661","0.002","11.234","0.002","25.712","0.005","90","","90","","90","","3079.4","1","110.15","","110.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H14 B F2 N O S -","- C18 H14 B F2 N O S -","- C144 H112 B8 F16 N8 O8 S8 -","8","1","","Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application","RSC Adv.","2016","6","89","85838","","10.1039/C6RA17863D","","","0.71073","MoKα","","0.0675","0.0458","","","0.0822","0.0915","","","","","","1.06","","","","has coordinates","186504","2020-10-21","18:00:00",""
"7226594","14.9503","0.001","8.0231","0.0006","21.786","0.002","90","","90","","90","","2613.2","0.4","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C48 H64 I24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0281","0.0187","","","0.0348","0.0365","","","","","","0.929","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226601","13.842","0.003","7.74","0.0015","21.22","0.004","90","","90","","90","","2273.4","0.8","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C48 H64 Br24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0322","0.022","","","0.0454","0.0477","","","","","","0.934","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226606","10.998","0.0005","7.5779","0.0003","38.7212","0.0013","90","","90","","90","","3227.1","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C152 H144 Br8 N8 O16 -","8","1","","Huang, Sheng-Han; Shih, Yu-Wei; Huang, Wen-Tse; Li, Deng-Hong; Yang, Te-Fang","Tandem additions of 3,4-dihydroisoquinolines to γ-hydroxy -α,β-unsaturated ketones: a green and new access to oxazolo[2,3-a]tetrahydroisoquinolines","RSC Adv.","2016","","","","","10.1039/C6RA20708A","","","1.54178","CuKα","","0.0718","0.0473","","","0.1262","0.1514","","","","","","0.934","","","","has coordinates","186710","2020-10-21","18:00:00",""
"7226665","17.6078","0.0006","15.0214","0.0005","18.074","0.0006","90","","90","","90","","4780.5","0.3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Ag F18 N4 P -","- C14 H12 Ag F18 N4 P -","- C112 H96 Ag8 F144 N32 P8 -","8","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0687","0.0426","","","0.0873","0.099","","","","","","1.145","","","","has coordinates,has disorder","188316","2020-10-21","18:00:00",""
"7226677","10.977","0.003","12.112","0.004","16.439","0.005","90","","90","","90","","2185.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0586","0.0418","","","0.1127","0.1294","","","","","","0.868","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226912","31.07","0.04","10.5077","0.0013","8.559","0.0009","90","","90","","90","","2794","4","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2111","0.1183","","","0.3153","0.3792","","","","","","1.093","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226913","31.16","0.06","10.4812","0.0019","8.5557","0.0014","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2434","0.1371","","","0.3601","0.4245","","","","","","1.316","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226914","31.05","0.05","10.491","0.0016","8.5775","0.0013","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2364","0.1329","","","0.3763","0.4351","","","","","","1.356","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226915","31.05","0.05","10.491","0.0016","8.5625","0.0013","90","","90","","90","","2789","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2683","0.1456","","","0.3814","0.4502","","","","","","1.411","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226916","30.99","0.03","10.5162","0.0012","8.5388","0.0009","90","","90","","90","","2783","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2247","0.1203","","","0.3024","0.3732","","","","","","1.054","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226917","30.83","0.03","10.5572","0.0011","8.5066","0.0009","90","","90","","90","","2769","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1812","0.1032","","","0.2518","0.3041","","","","","","1.037","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226918","30.88","0.04","10.2558","0.0009","8.4545","0.0009","90","","90","","90","","2678","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1557","0.0886","","","0.2595","0.2959","","","","","","1.106","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226919","30.68","0.03","10.3153","0.0007","8.3651","0.0006","90","","90","","90","","2647","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1099","0.0662","","","0.1734","0.2017","","","","","","1.063","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226920","30.37","0.03","10.2318","0.0012","8.3984","0.0009","90","","90","","90","","2610","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1957","0.0923","","","0.2315","0.2998","","","","","","1.049","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226921","30.46","0.03","10.2338","0.001","8.3341","0.0009","90","","90","","90","","2598","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.182","0.1028","","","0.2758","0.3321","","","","","","1.075","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226922","30.934","0.002","10.379","0.003","8.5247","0.0012","90","","90","","90","","2737","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1657","0.0852","","","0.1963","0.2429","","","","","","1.036","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226923","30.841","0.002","10.374","0.003","8.5367","0.0013","90","","90","","90","","2731.3","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2251","0.1224","","","0.301","0.3602","","","","","","1.061","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226952","14.4316","0.0005","6.5451","0.0002","15.6537","0.0005","90","","90","","90","","1478.59","0.08","115","","115","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H22 O4 Pd -","- C16 H22 O4 Pd -","- C64 H88 O16 Pd4 -","4","0.5","","Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.","Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application","RSC Adv.","2016","6","104","102557","","10.1039/C6RA22887A","","","0.71073","MoKα","","0.0362","0.0269","","","0.0626","0.0671","","","","","","1.054","","","","has coordinates","187647","2020-10-21","18:00:00",""
"7226993","10.1252","0.0004","14.6758","0.0004","34.2996","0.0009","90","","90","","90","","5096.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Br N2 O4 S2 -","- C25 H27 Br N2 O4 S2 -","- C200 H216 Br8 N16 O32 S16 -","8","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","0.6889","","","0.0967","0.0755","","","0.2206","0.2391","","","","","","1.08","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7227092","9.406","0.0004","17.1884","0.001","36.1133","0.0019","90","","90","","90","","5838.6","0.5","296","2","296","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Chloro-(4-(furan-2-ylcarbonyl)piperazine-1-carbodithioato-S,S') -tri(4-flourophenylphosphine)-platinum(ii)","","- C28 H23 Cl F3 N2 O2 P Pt S2 -","- C28 H23 Cl F3 N2 O2 P Pt S2 -","- C224 H184 Cl8 F24 N16 O16 P8 Pt8 S16 -","8","1","","Amir, Muhammad Kashif; Rehman, Zia-ur-; Hayat, Faisal; Khan, Shahan Zeb; Hogarth, G.; Kondratyuk, Tamara P.; Pezzuto, J. M.; Tahir, Muhammad Nawaz","Monofunctional platinum(II) dithiocarbamate complexes: Synthesis, characterization and anticancer activity","RSC Adv.","2016","","","","","10.1039/C6RA19469A","","","0.71073","MoKα","","0.0939","0.0483","","","0.0881","0.1003","","","","","","1.099","","","","has coordinates,has disorder","188405","2020-10-21","18:00:00",""
"7227120","31.654","0.002","9.7728","0.0007","37.31","0.002","90","","90","","90","","11541.8","1.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H63 N3 O14 Zn2 -","- C54.36 H53.04 N2 O12.36 Zn2 -","- C434.88 H424.32 N16 O98.88 Zn16 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2249","0.146","","","0.3889","0.4154","","","","","","1.208","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227121","32.094","0.002","9.8357","0.0007","37.7628","0.0016","90","","90","","90","","11920.5","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H72 Co2 N4 O15 -","- C55 H54 Co2 N2 O13 -","- C440 H432 Co16 N16 O104 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","","1.54184","CuKα","","0.1346","0.0836","","","0.2382","0.2812","","","","","","1.029","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227160","12.3231","0.001","13.9721","0.001","30.2678","0.001","90","","90","","90","","5211.5","0.6","120","","120","","","","100","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl2 N5 O4 -","- C26 H31 Cl2 N5 O4 -","- C208 H248 Cl16 N40 O32 -","8","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0446","0.0404","","0.0933","0.0913","0.0932","","","","","","0.9177","","","","has coordinates,has disorder","190076","2020-10-21","18:00:00",""
"7227188","13.2828","0.0014","14.5265","0.0015","22.502","0.002","90","","90","","90","","4341.8","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Basireddy, Venkata Subba Reddy; reddy, rajashekhar; Kumar, ravi; Yarlagadda, suresh; reddy, ravikumar; Yadav, Jhillu S.; Balasubramanian, Sridhar","Sequential hydroarylation/Prins cyclization: An efficient strategy for the synthesis of angularly fused tetrahydro-2H-pyrano[3,4-c]quinolines","RSC Adv.","2016","","","","","10.1039/C6RA21375H","","","0.71073","MoKα","","0.0762","0.0658","","","0.1599","0.1672","","","","","","1.158","","","","has coordinates","188736","2020-10-21","18:00:00",""
"7227232","10.76606","0.00019","8.25767","0.00015","17.3938","0.0003","90","","90","","90","","1546.35","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C56 H96 N16 O8 -","4","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0498","0.0484","","","0.1185","0.1198","","","","","","1.104","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227298","19.1","0.007","22.96","0.008","24.338","0.009","90","","90","","90","","10673","7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Er Mn Mo9 N5 O49 -","- C12 H10 Er Mn Mo9 N5 O49 -","- C96 H80 Er8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0645","0.0395","","","0.0955","0.1032","","","","","","1.063","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227299","19.0464","0.0006","22.8077","0.0007","24.2799","0.0007","90","","90","","90","","10547.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Eu Mn Mo9 N5 O49 -","- C12 H10 Eu Mn Mo9 N5 O49 -","- C96 H80 Eu8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0464","0.0325","","","0.0863","0.0913","","","","","","1.082","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227301","18.9813","0.0011","22.8264","0.0014","24.1927","0.0014","90","","90","","90","","10482.1","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Y -","- C12 H10 Mn Mo9 N5 O49 Y -","- C96 H80 Mn8 Mo72 N40 O392 Y8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0568","0.0364","","","0.0903","0.0964","","","","","","1.068","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227303","19.0677","0.0016","22.7335","0.0019","24.228","0.002","90","","90","","90","","10502.2","1.5","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tb -","- C12 H10 Mn Mo9 N5 O49 Tb -","- C96 H80 Mn8 Mo72 N40 O392 Tb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0303","","","0.0819","0.0863","","","","","","1.098","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227304","18.9956","0.0007","22.8143","0.0009","24.1926","0.001","90","","90","","90","","10484.4","0.7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tm -","- C12 H10 Mn Mo9 N5 O49 Tm -","- C96 H80 Mn8 Mo72 N40 O392 Tm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0312","","","0.088","0.0914","","","","","","1.057","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227305","18.9918","0.0008","22.8191","0.001","24.1887","0.0011","90","","90","","90","","10482.8","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Ho Mn Mo9 N5 O49 -","- C12 H10 Ho Mn Mo9 N5 O49 -","- C96 H80 Ho8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0681","0.0416","","","0.1069","0.1239","","","","","","1.088","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227307","19.0792","0.0009","22.8325","0.001","24.331","0.0011","90","","90","","90","","10599.2","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Sm -","- C12 H10 Mn Mo9 N5 O49 Sm -","- C96 H80 Mn8 Mo72 N40 O392 Sm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0352","0.0274","","","0.0722","0.0757","","","","","","1.091","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227308","18.9941","0.0011","22.8037","0.0014","24.1386","0.0014","90","","90","","90","","10455.3","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Yb -","- C12 H10 Mn Mo9 N5 O49 Yb -","- C96 H80 Mn8 Mo72 N40 O392 Yb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0426","0.0325","","","0.0898","0.0939","","","","","","1.077","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227309","19.0411","0.0009","22.8346","0.0011","24.2724","0.0011","90","","90","","90","","10553.5","0.9","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Gd Mn Mo9 N5 O49 -","- C12 H10 Gd Mn Mo9 N5 O49 -","- C96 H80 Gd8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0554","0.0351","","","0.0819","0.0882","","","","","","1.04","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227310","19.0233","0.0006","22.7722","0.0007","24.1995","0.0007","90","","90","","90","","10483.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Dy Mn Mo9 N5 O49 -","- C12 H10 Dy Mn Mo9 N5 O49 -","- C96 H80 Dy8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0509","0.0351","","","0.1039","0.1159","","","","","","1.083","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227343","12.7248","0.0003","9.5216","0.0002","18.8321","0.0005","90","","90","","90","","2281.71","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(isoquinolinecarboxamide)-1,6-hexane","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C104 H104 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0527","0.0471","","","0.1358","0.1432","","","","","","1.064","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227365","15.539","0.002","7.4265","0.001","31.796","0.004","90","","90","","90","","3669.3","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethenzamide Ferulic acid","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1115","0.0511","","","0.1342","0.1617","","","","","","1.072","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227444","11.692","0.003","7.545","0.003","20.193","0.005","90","","90","","90","","1781.3","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-dibromonaphthalene","2,3-dibromonaphthalene","","- C10 H6 Br2 -","- C10 H6 Br2 -","- C80 H48 Br16 -","8","1","","Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław","Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern","RSC Adv.","2017","7","5","2780","","10.1039/C6RA27167G","","","1.54184","CuKα","","0.0632","0.0475","","","0.12","0.1374","","","","","","1.004","","","","has coordinates","190581","2020-10-21","18:00:00",""
"7227445","11.631","0.003","7.417","0.002","19.691","0.004","90","","90","","90","","1698.7","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-dichloronaphthalene","2,3-dichloronaphthalene","","- C10 H6 Cl2 -","- C10 H6 Cl2 -","- C80 H48 Cl16 -","8","1","","Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław","Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern","RSC Adv.","2017","7","5","2780","","10.1039/C6RA27167G","","","1.54184","CuKα","","0.102","0.0788","","","0.2002","0.2253","","","","","","1.089","","","","has coordinates","190581","2020-10-21","18:00:00",""
"7227467","7.682","0.0012","10.2672","0.0015","18.256","0.003","90","","90","","90","","1439.9","0.4","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Eu0.1 O4 Pb0.85 -","- C8 H4 Eu0.1 O4 Pb0.85 -","- C64 H32 Eu0.8 O32 Pb6.8 -","8","1","","Barbosa, C. D. E. S.; da Luz, L. L.; Paz, F. A. Almeida; Malta, O. L.; Rodrigues, M. O.; Júnior, S. A.; Ferreira, R. A. S.; Carlos, L. D.","Site-selective Eu(iii) spectroscopy of highly efficient luminescent mixed-metal Pb(ii)/Eu(iii) coordination polymers","RSC Adv.","2017","7","10","6093","","10.1039/C6RA27850G","","","0.71073","MoKα","","0.0445","0.0253","","","0.0477","0.0543","","","","","","1.022","","","","has coordinates","190647","2020-10-21","18:00:00",""
"7227473","7.5863","0.0005","6.0552","0.0004","46.173","0.003","90","","90","","90","","2121","0.2","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.38 H1.7 O0.17 S0.17 -","- C2.38298 H1.70213 O0.170213 S0.170213 -","- C112 H80 O8 S8 -","47","5.875","","Yao, Chao; Chen, Xiaolong; He, Yaowu; Guo, Yitong; Murtaza, Imran; Meng, Hong","Design and characterization of methoxy modified organic semiconductors based on phenyl[1]benzothieno[3,2-b][1]benzothiophene","RSC Adv.","2017","7","9","5514","","10.1039/C6RA28074A","","","1.54178","CuKα","","0.0624","0.0525","","","0.1351","0.1395","","","","","","1.159","","","","has coordinates","190650","2020-10-21","18:00:00",""
"7227604","13.3996","0.0018","12.191","0.002","22.958","0.003","90","","90","","90","","3750.3","0.9","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O -","- C24 H23 N3 O -","- C192 H184 N24 O8 -","8","1","","Zhao, Hong-Wu; Pang, Hai-Liang; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Chen, Xiao-Qin; Song, Xiu-Qing; Feng, Ning-Ning; Du, Juan","Construction of 2,3,4,5-tetrahydro-1,2,4-triazines via [4 + 2] cycloaddition of α-halogeno hydrazones to imines","RSC Adv.","2017","7","15","9264","","10.1039/C6RA27767E","","","0.71073","MoKα","","0.0377","0.0343","","","0.0915","0.0934","","","","","","1.069","","","","has coordinates","191166","2020-10-21","18:00:00",""
"7227606","11.579","0.0008","9.4791","0.0005","30.0335","0.0019","90","","90","","90","","3296.4","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C152 H144 N32 O8 -","8","1","","Kopchuk, Dmitry S.; Chepchugov, Nikolay V.; Kovalev, Igor S.; Santra, Sougata; Rahman, Matiur; Giri, Kousik; Zyryanov, Grigory V.; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Solvent-free synthesis of 5-(aryl/alkyl)amino-1,2,4-triazines and α-arylamino-2,2′-bipyridines with greener prospects","RSC Adv.","2017","7","16","9610","","10.1039/C6RA26305D","","","0.7107","MoKα","","0.1113","0.0514","","","0.1237","0.1607","","","","","","1.001","","","","has coordinates","191179","2020-10-21","18:00:00",""
"7227631","13.456","0.005","10.034","0.005","22.429","0.005","90","0.005","90","0.005","90","0.005","3028","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","SB-NS-357","","- C14 H11 F3 O2 S2 -","- C14 H11 F3 O2 S2 -","- C112 H88 F24 O16 S16 -","8","1","","Sharma, N.; Kumari, N.; Chundawat, T. S.; Kumar, S.; Bhagat, S.","Efficient trifluoromethylation of C(sp2)‒H functionalized α-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles","RSC Adv.","2017","7","17","10150","","10.1039/C7RA01130J","","","0.71073","MoKα","","0.0583","0.047","","","0.1121","0.1175","","","","","","1.087","","","","has coordinates","191853","2020-10-21","18:00:00",""
"7227655","6.7713","0.0012","12.7185","0.0015","33.489","0.004","90","","90","","90","","2884.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Br2 F2 Hg N3 O -","- C11 H7 Br2 F2 Hg N3 O -","- C88 H56 Br16 F16 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0998","0.0928","","","0.1944","0.1996","","","","","","1.032","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227676","8.0533","0.0008","25.607","0.003","45.045","0.005","90","","90","","90","","9289.2","1.8","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Co N2 -","- C15 H13 Co N2 -","- C480 H416 Co32 N64 -","32","4","","Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil","Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application.","Physical chemistry chemical physics : PCCP","2017","19","9","6768","6776","10.1039/c6cp08685c","","","0.71075","MoKα","","0.0686","0.051","","","0.1044","0.1138","","","","","","1.089","","","","has coordinates","193917","2020-10-21","18:00:00",""
"7227682","13.6312","0.0002","23.5061","0.0004","24.2909","0.0004","90","","90","","90","","7783.2","0.2","200","0.14","200","0.14","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H47 B4 Cl11 F16 I6 N12 -","- C45 H47 B4 Cl11 F16 I6 N12 -","- C180 H188 B16 Cl44 F64 I24 N48 -","4","0.5","","Ruiz-Botella, Sheila; Vidossich, Pietro; Ujaque, Gregori; Peris, Eduardo; Beer, Paul D.","Tripodal halogen bonding iodo-azolium receptors for anion recognition","RSC Adv.","2017","7","19","11253","","10.1039/C6RA28082J","","","0.71073","MoKα","","0.0596","0.0408","","","0.106","0.1209","","","","","","1.086","","","","has coordinates,has disorder","192055","2020-10-21","18:00:00",""
"7227726","17.4893","0.0016","12.6182","0.0011","24.895","0.0018","90","","90","","90","","5493.9","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 Co N6 O8.5 -","- C28 H20 Co N6 O8.5 -","- C224 H160 Co8 N48 O68 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1088","0.0608","","","0.1048","0.125","","","","","","1.05","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227791","10.0478","0.0003","10.3511","0.0003","14.6556","0.0005","90","","90","","90","","1524.27","0.08","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N O S -","- C8 H7 N O S -","- C64 H56 N8 O8 S8 -","8","1","","Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai","Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety.","Physical chemistry chemical physics : PCCP","2017","19","13","8896","8901","10.1039/c7cp00074j","","","0.71073","MoKα","","0.0346","0.0298","","","0.0794","0.0831","","","","","","1.06","","","","has coordinates","195187","2020-10-21","18:00:00",""
"7227990","8.6657","0.0002","10.1187","0.0004","48.601","0.002","90","","90","","90","","4261.6","0.3","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F13 N2 O3 S2 -","- C15 H15 F13 N2 O3 S2 -","- C120 H120 F104 N16 O24 S16 -","8","1","","Hummel, Michael; Markiewicz, Marta; Stolte, Stefan; Noisternig, Michael Franz; Braun, Doris Elfriede; Gelbrich, Thomas; Griesser, Ulrich J.; Partl, Gabriel Julian; Naier, Benjamin Florian; Wurst, Klaus; Krüger, Biljana; Kopacka, Holger; Laus, Gerhard; Huppertz, Hubert; Schottenberger, Herwig","Phase-out-compliant fluorosurfactants: Unique methimazolium derivatives including room temperature ionic liquids","Green Chem.","2017","","","","","10.1039/C7GC00571G","","","0.71073","MoKα","","0.0942","0.0569","","","0.1283","0.1468","","","","","","0.983","","","","has coordinates,has disorder","194734","2020-10-21","18:00:00",""
"7227992","14.158","0.003","14.747","0.003","23.048","0.007","90","","90","","90","","4812","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,3-disubstituted oxindole","","- C27 H22 Br N3 O4 S -","- C27 H22 Br N3 O4 S -","- C216 H176 Br8 N24 O32 S8 -","8","1","","Ramakrishna, Seeram; nataraj, poomathi; Perumal, Paramasivan Thirumalai","An efficient and eco-friendly synthesis of 2-pyridones and functionalized azaxanthone frameworks via indium triflate catalyzed domino reaction","Green Chem.","2017","","","","","10.1039/C6GC03440C","","","0.71073","MoKα","","0.1138","0.0904","","","0.2816","0.3003","","","","","","1.123","","","","has coordinates","194735","2020-10-21","18:00:00",""
"7228078","12.112","0.002","16.437","0.003","19.547","0.004","90","","90","","90","","3891.5","1.2","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0702","0.0505","","","0.1226","0.1425","","","","","","1.034","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228147","15.889","0.002","14.854","0.002","22.217","0.003","90","","90","","90","","5243.5","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F3 N5 O4 S -","- C26 H24 F3 N5 O4 S -","- C208 H192 F24 N40 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.1031","0.0671","","","0.197","0.2242","","","","","","1.024","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228149","15.84","0.002","14.613","0.002","21.829","0.003","90","","90","","90","","5052.8","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H23 F3 N6 O4 S -","- C25 H23 F3 N6 O4 S -","- C200 H184 F24 N48 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0622","0.0475","","","0.1153","0.1226","","","","","","1.042","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228265","14.4728","0.0011","14.4895","0.0012","16.2609","0.0012","90","","90","","90","","3410","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Hg N7 O3 -","- C14 H17 Hg N7 O3 -","- C112 H136 Hg8 N56 O24 -","8","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.0378","0.021","","","0.041","0.0457","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228267","14.9694","0.0008","12.3482","0.0006","15.9191","0.0011","90","","90","","90","","2942.6","0.3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","36G","36G","","- C24 H20 Hg2 N14 O3 -","- C24 H20 Hg2 N14 O3 -","- C96 H80 Hg8 N56 O12 -","4","0.5","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1053","0.0465","","","0.1131","0.1453","","","","","","0.958","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228275","16.861","0.002","8.7293","0.0008","21.76","0.002","90","","90","","90","","3202.7","0.6","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Hg I2 N3 -","- C12 H11 Hg I2 N3 -","- C96 H88 Hg8 I16 N24 -","8","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71069","MoKα","","0.125","0.0742","","","0.2121","0.238","","","","","","1.009","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228296","12.203","0.002","11.584","0.002","28.223","0.005","90","","90","","90","","3989.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","octamethylferrocenium tricyanomethanide","","- C22 H26 Fe N3 -","- C22 H26 Fe N3 -","- C176 H208 Fe8 N24 -","8","1","","Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi","Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02746J","","","0.71073","MoKα","","0.0405","0.0379","","","0.0912","0.0927","","","","","","1.268","","","","has coordinates","196937","2020-10-21","18:00:00",""
"7228390","12.2017","0.0001","7.959","","25.9259","0.0001","90","","90","","90","","2517.75","0.02","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.033","0.0324","","","0.0876","0.0881","","","","","","1.091","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228391","12.2769","0.0001","8.0018","0.0001","26.0006","0.0002","90","","90","","90","","2554.23","0.04","294.87","0.1","294.87","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.0405","0.0393","","","0.1126","0.1137","","","","","","1.066","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228392","12.2403","0.0001","7.9788","0.0001","25.9695","0.0002","90","","90","","90","","2536.26","0.04","250","0.1","250","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.035","0.0341","","","0.0926","0.0933","","","","","","1.077","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228393","12.12852","0.0001","7.92362","0.00007","25.81707","0.00018","90","","90","","90","","2481.07","0.03","99.98","0.18","99.98","0.18","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl1.98 N O3 -","- C10 H13 Cl1.9797 N O3 -","- C80 H104 Cl15.8376 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0695","0.0697","","","","","","1.095","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228394","12.162","0.0001","7.9403","0.0001","25.8738","0.0002","90","","90","","90","","2498.63","0.04","150","10","150","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.029","0.0286","","","0.0778","0.0781","","","","","","1.086","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228447","11.2502","0.0005","7.188","0.0004","21.7868","0.0015","90","","90","","90","","1761.82","0.17","122.7","0.3","122.7","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","MC_U co-crystal","m-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Wang, Na; Hao, Hongxun; Lu, Haijiao; Xu, Ruilin","Molecular recognition and self-assembly mechanism of cocrystallization process","CrystEngComm","2017","","","","","10.1039/C7CE00713B","","","0.71073","MoKα","","0.0746","0.0552","","","0.1344","0.1472","","","","","","1.104","","","","has coordinates","197672","2020-10-21","18:00:00",""
"7228533","10.8949","0.0011","15.8728","0.0015","33.006","0.004","90","","90","","90","","5707.8","1","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H20 F6 Ir N4 P S2 -","- C28 H20 F6 Ir N4 P S2 -","- C224 H160 F48 Ir8 N32 P8 S16 -","8","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Zysman-Colman, Eli","Simple design to achieve red-to-near-infrared emissive cationic Ir(iii) emitters and their use in light emitting electrochemical cells","RSC Adv.","2017","7","51","31833","","10.1039/C7RA06347D","","","0.71075","MoKα","","0.0743","0.0336","","","0.0571","0.0725","","","","","","1.097","","","","has coordinates","198069","2020-10-21","18:00:00",""
"7228589","16.767","0.004","6.8109","0.0014","22.399","0.005","90","","90","","90","","2557.9","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cl3 N O5 -","- C9 H8 Cl3 N O5 -","- C72 H64 Cl24 N8 O40 -","8","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1005","0.097","","","0.2266","0.2298","","","","","","1.13","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228602","7.814","0.0013","5.7599","0.001","10.8324","0.0019","90","","90","","90","","487.54","0.15","130","2","130","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluorodithietane","2,2,4,4-tetrafluoro-1,3-dithietane","","- C2 F4 S2 -","- C2 F4 S2 -","- C8 F16 S8 -","4","0.5","","nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Fluorination promotes chalcogen/tetrel bonding in crystalline solids","CrystEngComm","2017","","","","","10.1039/C7CE01070B","","","0.71073","MoKα","","0.0358","0.0271","","","0.0625","0.0649","","","","","","0.958","","","","has coordinates","198227","2020-10-21","18:00:00",""
"7228658","8.227","0.0006","21.5096","0.0009","23.8825","0.0011","90","","90","","90","","4226.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N5 O6 Zn -","- C20 H21 N5 O6 Zn -","- C160 H168 N40 O48 Zn8 -","8","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0435","0.035","","","0.0808","0.0871","","","","","","1.056","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228666","9.8504","0.0001","7.4915","0.0002","31.4272","0.0008","90","","90","","90","","2319.15","0.09","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C104 H80 Cl8 N8 O16 -","8","1","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.119","0.0531","","","0.1269","0.1573","","","","","","0.988","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228775","7.116","0.0008","13.084","0.0016","36.062","0.005","90","","90","","90","","3357.6","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","EK-B-Suc 3-pyridyl-CONH-N=CH-(3-pyridyl), HOOC-(CH2)2-COOH","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0732","0.0552","","","0.138","0.156","","","","","","1.125","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228797","15.6","0.01","6.591","0.006","16.8","0.01","90","","90","","90","","1727","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C64 H72 Cl8 N32 -","8","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0652","0.0519","","","0.1319","0.1437","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228896","10.8387","0.0017","7.0582","0.0011","16.911","0.003","90","","90","","90","","1293.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 O -","- C4 Cl2 N4 O -","- C32 Cl16 N32 O8 -","8","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0386","0.0328","","","0.0783","0.0836","","","","","","1.077","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228924","7.4735","0.0001","11.8551","0.0002","42.384","0.003","90","","90","","90","","3755.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O5 S2 -","- C18 H22 N2 O5 S2 -","- C144 H176 N16 O40 S16 -","8","1","","Nguyen, Le Anh; Ngo, Anh Quoc; Retailleau, Pascal; Nguyen, Thanh Binh","Elemental Sulfur as Polyvalent Reagent in Redox Condensation with o-Chloronitrobenzenes and Benzaldehydes: Three-Component Access to 2-Arylbenzothiazoles","Green Chem.","2017","","","","","10.1039/C7GC01825H","","","1.54187","CuKα","","0.0888","0.0472","","","0.1051","0.1523","","","","","","1.138","","","","has coordinates","199808","2020-10-21","18:00:00",""
"7228981","19.883","0.002","7.1179","0.0007","23.095","0.002","90","","90","","90","","3268.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Fe N4 O2 -","- C17 H22 Fe N4 O2 -","- C136 H176 Fe8 N32 O16 -","8","1","","Tang, Yun-Zhi; Liu, Yi; Gao, Ji-Xing; Wang, Chang-Feng; Wang, Bin; Tan, Yu-Hui; Wen, He-Rui","Reversible structural phase transition, ferroelectric and switchable dielectric properties of an adduct molecule of hexamethylenetetramine ferrocene carboxylic acid","RSC Adv.","2017","7","66","41369","","10.1039/C7RA06429B","","","0.71073","MoKα","","0.2015","0.0796","","","0.129","0.1648","","","","","","1.025","","","","has coordinates","199940","2020-10-21","18:00:00",""
"7229011","15.7195","0.0009","28.519","0.0017","30.8537","0.0018","90","","90","","90","","13831.9","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72.13 H89 Li3 N2 O5.5 -","- C72.164 H86.246 Li3 N2 O5.5 -","- C577.312 H689.968 Li24 N16 O44 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1469","0.0887","","","0.2111","0.2421","","","","","","1.064","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229062","8.8351","0.0002","11.5516","0.0003","28.2122","0.0007","90","","90","","90","","2879.32","0.12","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N3 O9 P2 -","- C6 H25 N3 O9 P2 -","- C48 H200 N24 O72 P16 -","8","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.028","0.0253","","","0.0665","0.0688","","","","","","1.066","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229087","7.1326","0.0007","13.0545","0.0009","34.263","0.003","90","","90","","90","","3190.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.1862","0.0414","","","0.0546","0.0674","","","","","","0.62","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229100","18.4042","0.0005","15.8373","0.0003","27.9693","0.0007","90","","90","","90","","8152.3","0.3","223","0.1","223","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H78 Cd4 N12 O27 -","- C80 H68 Cd4 N12 O27 -","- C320 H272 Cd16 N48 O108 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0421","0.0298","","","0.0668","0.0715","","","","","","1.051","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229297","6.7189","0.0008","13.926","0.001","19.061","0.002","90","","90","","90","","1783.5","0.3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H22 -","- C24 H22 -","- C96 H88 -","4","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.103","0.0691","","","0.1233","0.1371","","","","","","1.32","","","","has coordinates","201850","2020-10-21","18:00:00",""
"7229392","6.2817","0.0013","19.73","0.004","23.695","0.005","90","","90","","90","","2936.7","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H12 I N S -","- C17 H12 I N S -","- C136 H96 I8 N8 S8 -","8","1","","Deng, Guo-Jun; Ni, Penghui; Li, Bin; Huang, Huawen; Xiao, Fuhong","Solvent-controlled highly regio-selective thieno[2,3-b]indole formation under metal-free conditions","Green Chem.","2017","","","","","10.1039/C7GC02818K","","","0.71073","MoKα","","0.0514","0.0469","","","0.09","0.0923","","","","","","1.162","","","","has coordinates","202294","2020-10-21","18:00:00",""
"7229399","9.1935","0.0008","24.235","0.002","30.404","0.003","90","","90","","90","","6774.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H33 Cl2 N3 O4 -","- C38 H33 Cl2 N3 O4 -","- C304 H264 Cl16 N24 O32 -","8","1","","Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin","Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes","RSC Adv.","2017","7","78","49810","","10.1039/C7RA08817E","","","0.71073","MoKα","","0.1477","0.0883","","","0.2628","0.309","","","","","","1.041","","","","has coordinates","202347","2020-10-21","18:00:00",""
"7229443","13.3778","0.0013","6.4784","0.0006","15.7657","0.0015","90","","90","","90","","1366.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Br N O2 -","- C4 H10 Br N O2 -","- C32 H80 Br8 N8 O16 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0196","0.0152","","","0.0352","0.0365","","","","","","1.044","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229455","11.2923","0.0005","11.1395","0.0005","22.6048","0.0007","90","","90","","90","","2843.5","0.2","292.87","0.1","292.87","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 Se -","- C16 H13 N O3 Se -","- C128 H104 N8 O24 Se8 -","8","1","","Zhang, Qing-Bao; Ban, Yong-Liang; Yuan, Pan-Feng; Peng, Shoujiao; Fang, Jianguo; Wu, Li-Zhu; Liu, Qiang","Visible-Light-Mediated Aerobic Selenation of (Hetero)Arenes with Diselenides","Green Chem.","2017","","","","","10.1039/C7GC02803B","","","0.71073","MoKα","","0.0705","0.0396","","","0.0726","0.0851","","","","","","1.019","","","","has coordinates","202467","2020-10-21","18:00:00",""
"7229471","11.59108","0.00013","15.95415","0.00019","20.3432","0.0003","90","","90","","90","","3761.98","0.08","130","1","130","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Cl2 Co N5 O -","- C17 H21 Cl2 Co N5 O -","- C136 H168 Cl16 Co8 N40 O8 -","8","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","1.54184","CuKα","","0.052","0.0499","","","0.1488","0.152","","","","","","1.051","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229521","9.07634","0.00015","18.5416","0.0005","31.2516","0.0005","90","","90","","90","","5259.33","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H19 Cl3 N2 O2 S -","- C31 H19 Cl3 N2 O2 S -","- C248 H152 Cl24 N16 O16 S8 -","8","1","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","0.6889","","","0.0427","0.0387","","","0.1005","0.1052","","","","","","1.053","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229539","12.409","0.018","13.23","0.014","23.79","0.03","90","","90","","90","","3906","9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24.05 Br4 Cd N2.05 -","- C10 H24.046 Br4 Cd N2.046 -","- C80 H192.368 Br32 Cd8 N16.368 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0966","0.0623","","","0.1358","0.1509","","","","","","1.105","","","","has coordinates,has disorder","203000","2020-10-21","18:00:00",""
"7229541","12.421","0.007","13.319","0.007","24.209","0.013","90","","90","","90","","4005","4","373","2","373","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Br4 Cd N2 -","- C10 H24 Br4 Cd N2 -","- C80 H192 Br32 Cd8 N16 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.336","0.1483","","","0.2672","0.3489","","","","","","1.13","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229604","10.0813","0.00017","20.649","0.0004","21.8088","0.0004","90","","90","","90","","4539.91","0.14","150.03","0.1","150.03","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 F9 N2 -","- C24 H15 F9 N2 -","- C192 H120 F72 N16 -","8","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","1.54184","CuKα","","0.0793","0.0705","","","0.1874","0.1952","","","","","","1.058","","","","has coordinates,has disorder","203411","2020-10-21","18:00:00",""
"7229621","19.293","0.004","7.2555","0.0014","23.177","0.005","90","","90","","90","","3244.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F N -","- C22 H16 F N -","- C176 H128 F8 N8 -","8","1","","Ahmed, Waqar; Zhang, Sheng; Yu, Xiaoqiang; Yamamoto, Yoshinori; Bao, Ming","Brønsted acid-catalyzed metal- and solvent-free quinoline synthesis fromN-alkyl anilines and alkynes or alkenes","Green Chemistry","2018","20","1","261","","10.1039/C7GC03175K","","","0.71073","MoKα","","0.1207","0.0506","","","0.1157","0.1482","","","","","","1.008","","","","has coordinates","276332","2022-06-28","15:25:32",""
"7229781","10.2118","0.0004","10.4135","0.0005","13.6583","0.0006","90","","90","","90","","1452.43","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.018","0.0161","","","0.0362","0.037","","","","","","1.067","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229782","10.2096","0.0007","10.4063","0.0007","13.6629","0.001","90","","90","","90","","1451.6","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.026","0.0203","","","0.037","0.0395","","","","","","1.129","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229902","17.887","0.002","7.0953","0.0009","23.419","0.003","90","","90","","90","","2972.2","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O4 -","- C14 H20 N4 O4 -","- C112 H160 N32 O32 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0492","0.0382","","","0.0945","0.1019","","","","","","1.026","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229938","17.837","0.004","17.886","0.005","23.754","0.006","90","","90","","90","","7578","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cu6 Mo5 N18 O23 -","- C12 H20 Cu6 Mo5 N18 O23 -","- C96 H160 Cu48 Mo40 N144 O184 -","8","1","","Xu, Li; Lu, Ying; Huang, Liping; Li, Xiaohui; Wang, Shuang; Zhang, Zhong; Liu, Shuxia","Synthesis and properties of a POM-based trinuclear copper(ii) triazole framework","RSC Advances","2018","8","4","2034","","10.1039/C7RA12150D","","","0.71073","MoKα","","0.1258","0.0815","","","0.1413","0.1602","","","","","","1.057","","","","has coordinates","205021","2020-10-21","18:00:00",""
"7229984","8.7017","0.0004","18.0339","0.0011","21.7086","0.0012","90","","90","","90","","3406.6","0.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[CuL30iOAc]","","","- C28 H40 Cu2 N4 O14 -","- C28 H40 Cu2 N4 O14 -","- C112 H160 Cu8 N16 O56 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0985","0.0343","","","0.0531","0.0624","","","","","","0.728","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7230015","22.3846","0.0003","20.969","0.0004","26.0718","0.0005","90","","90","","90","","12237.7","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H57 Mo12 N6 O40 P -","- C30 H57 Mo12 N6 O40 P -","- C240 H456 Mo96 N48 O320 P8 -","8","1","","Megías-Sayago, Cristina; Álvarez, Eleuterio; Ivanova, Svetlana; Odriozola, José Antonio","Epimerization of glucose over ionic liquid/phosphomolybdate hybrids: structure‒activity relationship","Green Chemistry","2018","20","5","1042","","10.1039/C7GC03738D","","","0.71073","MoKα","","0.0433","0.0352","","","0.0769","0.0817","","","","","","1.051","","","","has coordinates","230092","2020-10-21","18:00:00",""
"7230078","18.204","0.019","15.339","0.015","23.87","0.02","90","","90","","90","","6665","11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N6 O2.5 -","- C14 H19 N6 O2.5 -","- C224 H304 N96 O40 -","16","2","","Wu, Wei-Na; Wu, Hao; Wang, Yuan; Mao, Xian-Jie; Liu, Bao-Zhong; Zhao, Xiao-Lei; Xu, Zhou-Qing; Fan, Yun-Chang; Xu, Zhi-Hong","A simple hydrazone as a multianalyte (Cu2+, Al3+, Zn2+) sensor at different pH values and the resultant Al3+ complex as a sensor for F−","RSC Advances","2018","8","10","5640","","10.1039/C7RA10219D","","","0.71073","MoKα","","0.1602","0.0711","","","0.1843","0.2701","","","","","","1.04","","","","has coordinates","206104","2020-10-21","18:00:00",""
"7230084","17.8528","0.0006","10.1405","0.0004","28.1824","0.001","90","","90","","90","","5102","0.3","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H23 I N2 O -","- C32 H23 I N2 O -","- C256 H184 I8 N16 O8 -","8","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0629","0.0698","","","","","","1.01","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230115","17.306","0.002","16.8727","0.0019","23.268","0.003","90","","90","","90","","6794.2","1.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N8 O6 -","- C32 H46 N8 O6 -","- C256 H368 N64 O48 -","8","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1801","0.0868","","","0.1733","0.2169","","","","","","1.015","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230201","19.16","0.03","7.157","0.011","24.99","0.04","90","","90","","90","","3427","9","423","2","423.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-chloro-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Cl F4 Fe I2 O2 -","- C13 H5 Cl F4 Fe I2 O2 -","- C104 H40 Cl8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0491","0.029","","","0.0561","0.0631","","","","","","1.01","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230204","19.1299","0.0009","7.1259","0.0003","25.1867","0.0012","90","","90","","90","","3433.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-bromo-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Br F4 Fe I2 O2 -","- C13 H5 Br F4 Fe I2 O2 -","- C104 H40 Br8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0316","0.0227","","","0.0468","0.0499","","","","","","1.049","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230206","7.527","0.0004","14.1483","0.0009","34.3682","0.0019","90","","90","","90","","3660","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide hydrochloride oxalic acid","4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride oxalic acid","","- C15 H24 Cl2 N3 O4 -","- C15 H24 Cl2 N3 O4 -","- C120 H192 Cl16 N24 O32 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0488","0.0384","","","0.0875","0.0928","","","","","","1.123","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230208","14.6866","0.0004","7.0245","0.0002","33.0316","0.0009","90","","90","","90","","3407.74","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide HCl anhydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H23 Cl2 N3 O2 -","- C14 H23 Cl2 N3 O2 -","- C112 H184 Cl16 N24 O16 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","1.54186","CuKα","","0.1485","0.0819","","","0.1996","0.2502","","","","","","0.98","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230245","16.5711","0.0007","14.2773","0.0005","18.0085","0.0007","90","","90","","90","","4260.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl4 Hg2 N8 O4 -","- C40 H36 Cl4 Hg2 N8 O4 -","- C160 H144 Cl16 Hg8 N32 O16 -","4","0.5","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0429","0.031","","","0.0704","0.075","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230247","16.5731","0.0007","14.3971","0.0005","18.3341","0.0007","90","","90","","90","","4374.6","0.3","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Br2 Hg N4 O2 -","- C20 H18 Br2 Hg N4 O2 -","- C160 H144 Br16 Hg8 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0789","0.0403","","","0.0746","0.0852","","","","","","0.966","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230248","16.9633","0.0005","9.3636","0.0002","29.0993","0.0007","90","","90","","90","","4622.1","0.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Hg I2 N4 O2 -","- C20 H18 Hg I2 N4 O2 -","- C160 H144 Hg8 I16 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0771","0.0334","","","0.0487","0.0577","","","","","","0.975","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230291","8.5468","0.0005","11.0536","0.0007","17.5296","0.001","90","","90","","90","","1656.07","0.17","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium Formate","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0398","0.0354","","","0.0975","0.1027","","","","","","1.045","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230299","11.7678","0.0007","7.1966","0.0005","17.1615","0.0011","90","","90","","90","","1453.38","0.16","100","2","100.05","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Bolla, Geetha; Myerson, Allan S.","SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation","CrystEngComm","2018","20","15","2084","","10.1039/C8CE00272J","","","0.71073","MoKα","","0.0417","0.0386","","","0.1131","0.116","","","","","","1.082","","","","has coordinates","229097","2020-10-21","18:00:00",""
"7230376","7.0214","0.0012","18.01","0.003","19.735","0.003","90","","90","","90","","2495.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Cu N3 O4 -","- C12 H13 Cu N3 O4 -","- C96 H104 Cu8 N24 O32 -","8","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0605","0.0445","","","0.0892","0.0943","","","","","","1.157","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230414","16.4142","0.0003","15.1139","0.0004","20.9988","0.0006","90","","90","","90","","5209.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 B F4 Fe N4 O2 -","- C28 H28 B F4 Fe N4 O2 -","- C224 H224 B8 F32 Fe8 N32 O16 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0556","0.0331","","","0.0762","0.0834","","","","","","1.043","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230415","16.7007","0.0007","15.1105","0.0008","20.7773","0.0011","90","0.005","90","0.005","90","0.005","5243.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl Fe N4 O6 -","- C28 H28 Cl Fe N4 O6 -","- C224 H224 Cl8 Fe8 N32 O48 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71069","MoKα","","0.1147","0.0527","","","0.1055","0.1219","","","","","","0.93","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230425","14.912","0.0004","6.9922","0.0002","37.2099","0.0013","90","","90","","90","","3879.8","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0657","0.0475","","","0.108","0.1163","","","","","","1.029","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230580","22.7947","0.0013","7.8451","0.0004","37.255","0.002","90","","90","","90","","6662.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-acetyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione","","- C20 H15 F N2 O3 -","- C20 H15 F N2 O3 -","- C320 H240 F16 N32 O48 -","16","2","","Simijonović, Dušica; Petrović, Zorica D.; Milovanović, Vesna M.; Petrović, Vladimir P.; Bogdanović, Goran A.","A new efficient domino approach for the synthesis of pyrazolyl-phthalazine-diones. Antiradical activity of novel phenolic products","RSC Advances","2018","8","30","16663","","10.1039/C8RA02702A","","x-ray","0.71073","MoKα","","0.1427","0.0615","","","0.1176","0.1465","","","","","","1.03","","","","has coordinates","207663","2020-10-21","18:00:00",""
"7230611","7.0875","0.0008","11.9657","0.0013","24.919","0.003","90","","90","","90","","2113.3","0.4","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0819","0.0809","","","0.1523","0.1528","","","","","","1.358","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230623","18.4213","0.0008","18.1732","0.0008","19.0497","0.0008","90","","90","","90","","6377.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C200 H192 F96 Mn8 N24 O40 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1044","0.074","","","0.2124","0.2461","","","","","","1.036","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230669","12.4485","0.0006","10.2927","0.0006","21.8055","0.001","90","","90","","90","","2793.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane","","- C14 H18 F N O4 -","- C14 H18 F N O4 -","- C112 H144 F8 N8 O32 -","8","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.2066","0.0939","","","0.2198","0.2702","","","","","","1.175","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230708","7.5146","0.0002","18.6958","0.0003","30.8781","0.0005","90","","90","","90","","4338.11","0.15","121","2","121","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cl N4 O3 -","- C23 H27 Cl N4 O3 -","- C184 H216 Cl8 N32 O24 -","8","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","1.54184","CuKα","","0.0563","0.0504","","","0.1239","0.1284","","","","","","1.139","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230799","10.2134","0.0001","18.2798","0.0002","19.5856","0.0003","90","","90","","90","","3656.61","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C184 H152 N24 O8 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0386","0.0352","","","0.0845","0.0891","","","","","","1.044","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230800","19.207","0.0005","10.1247","0.0003","19.7884","0.0005","90","","90","","90","","3848.15","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N3 O -","- C23 H18 Br N3 O -","- C184 H144 Br8 N24 O8 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0371","0.0365","","","0.0939","0.0945","","","","","","1.027","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230818","9.54533","0.00014","14.9685","0.0002","17.9615","0.0003","90","","90","","90","","2566.33","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Fluorobenzathiazole aniline","Fluorobenzathiazole aniline","","- C14 H13 F N2 O S -","- C14 H13 F N2 O S -","- C112 H104 F8 N16 O8 S8 -","8","1","","Hughes, Eleri; Griffin, John M.; Coogan, Michael P.; Middleton, David A.","Average orientation of a fluoroaromatic molecule in lipid bilayers from DFT-informed NMR measurements of <sup>1</sup>H-<sup>19</sup>F dipolar couplings.","Physical chemistry chemical physics : PCCP","2018","20","27","18207","18215","10.1039/c8cp01064a","","x-ray","1.54184","CuKα","","0.0396","0.0379","","","0.1072","0.1089","","","","","","1.06","","","","has coordinates","230905","2020-10-21","18:00:00",""
"7230822","15.5941","0.0004","25.2063","0.0006","17.8185","0.0004","90","","90","","90","","7003.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H40 Cl2 N2 O8 -","- C39 H40 Cl2 N2 O8 -","- C312 H320 Cl16 N16 O64 -","8","1","","Ikai, Tomoyuki; Nagata, Naoya; Awata, Seiya; Wada, Yuya; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.","Optically active distorted cyclic triptycenes: chiral stationary phases for HPLC","RSC Advances","2018","8","37","20483","","10.1039/C8RA04434A","","","1.54178","CuKα","","0.0424","0.0403","","","0.1031","0.1047","","","","","","1.06","","","","has coordinates,has disorder","208126","2020-10-21","18:00:00",""
"7230823","28.625","0.005","16.4514","0.0014","16.8783","0.001","90","","90","","90","","7948.4","1.6","295","","295","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 Co F16 I4 N4 -","- C28 H16 Cl2 Co F16 I4 N4 -","- C224 H128 Cl16 Co8 F128 I32 N32 -","8","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0671","0.0328","","","0.0623","0.0665","","","","","","0.8","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230842","16.1729","0.0003","23.0961","0.0003","33.2406","0.0005","90","","90","","90","","12416.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N7 P2 Se2 -","- C21 H51 N7 P2 Se2 -","- C336 H816 N112 P32 Se32 -","16","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0904","0.0412","","","0.0694","0.0842","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7231000","16.3399","0.0007","8.5767","0.0003","40.1148","0.0016","90","","90","","90","","5621.8","0.4","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sildenafil chloroform solvate","","- C23 H31 Cl3 N6 O4 S -","- C23 H31 Cl3 N6 O4 S -","- C184 H248 Cl24 N48 O32 S8 -","8","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.1117","0.0661","","","0.1718","0.1981","","","","","","1.026","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7231057","4.5145","0.0004","12.0237","0.0011","28.87","0.003","90","","90","","90","","1567.1","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N12 O10 -","- C8 H6 N12 O10 -","- C32 H24 N48 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0733","0.0431","","","0.0876","0.0991","","","","","","1.041","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231089","7.1365","0.0009","22.3829","0.0014","30.1328","0.0015","90","","90","","90","","4813.3","0.7","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1141","0.0593","","","0.1003","0.1224","","","","","","1.005","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231171","22.884","0.0019","15.4397","0.0013","23.772","0.002","90","","90","","90","","8399.2","1.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H30 Cl2 Fe2 N2 O10 Ru2 -","- C45 H30 Cl2 Fe2 N2 O10 Ru2 -","- C360 H240 Cl16 Fe16 N16 O80 Ru16 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0319","0.0248","","","0.0553","0.0594","","","","","","1.064","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231172","13.995","0.004","11.729","0.004","34.893","0.012","90","","90","","90","","5728","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Fe N O11 Ru3 -","- C29 H15 Fe N O11 Ru3 -","- C232 H120 Fe8 N8 O88 Ru24 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.039","0.027","","","0.0592","0.0651","","","","","","0.888","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231319","15.9191","0.0006","17.5775","0.0007","17.8152","0.0006","90","","90","","90","","4985","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H37 I4 N -","- C17 H37 I4 N -","- C136 H296 I32 N8 -","8","1","","Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.","Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.","Physical chemistry chemical physics : PCCP","2018","20","34","21999","22007","10.1039/c8cp03505a","","","0.71073","MoKα","","0.0474","0.035","","","0.0703","0.0797","","","","","","1.295","","","","has coordinates","230943","2020-10-21","18:00:00",""
"7231346","11.2915","0.0004","16.6242","0.0006","32.7927","0.0012","90","","90","","90","","6155.6","0.4","199.9","0.4","199.9","0.4","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl9 Ir N2 O4 S -","- C18 H26 Cl9 Ir N2 O4 S -","- C144 H208 Cl72 Ir8 N16 O32 S8 -","8","1","","Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.","Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water","Green Chemistry","2018","20","17","4094","","10.1039/C8GC01933A","","x-ray","0.71073","MoKα","","0.0386","0.0325","","","0.0791","0.0845","","","","","","1.065","","","","has coordinates","230096","2020-10-21","18:00:00",""
"7231360","10.4993","0.0005","16.0117","0.0008","25.1481","0.0012","90","","90","","90","","4227.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SMT-SAC salt","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0338","0.0335","","","0.0874","0.0877","","","","","","1.084","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231368","6.63584","0.00015","11.8221","0.0003","34.9929","0.0008","90","","90","","90","","2745.18","0.11","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Cl2 Cu N2 O2 -","- C10 H22 Cl2 Cu N2 O2 -","- C80 H176 Cl16 Cu8 N16 O16 -","8","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0792","0.072","","","0.1792","0.1818","","","","","","1.268","","","","has coordinates","209664","2020-10-21","18:00:00",""
"7231369","6.68836","0.00015","12.3506","0.0003","35.1567","0.0008","90","","90","","90","","2904.13","0.12","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N2 O2 -","- C10 H22 Br2 Cu N2 O2 -","- C80 H176 Br16 Cu8 N16 O16 -","8","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0236","0.0206","","","0.0532","0.0541","","","","","","1.06","","","","has coordinates","209664","2020-10-21","18:00:00",""
"7231484","18.1516","0.0015","10.532","0.001","28.615","0.002","90","","90","","90","","5470.4","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H32 O3 -","- C36 H32 O3 -","- C288 H256 O24 -","8","1","","Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.","Physical chemistry chemical physics : PCCP","2018","20","37","23851","23855","10.1039/c8cp04242j","","","0.71073","MoKα","","0.152","0.0598","","","0.1331","0.1757","","","","","","0.934","","","","has coordinates","230904","2020-10-21","18:00:00",""
"7231490","21.331","0.005","7.9294","0.0019","26.114","0.006","90","","90","","90","","4417","1.8","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cd N3 O7 -","- C24 H15 Cd N3 O7 -","- C192 H120 Cd8 N24 O56 -","8","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1114","0.0495","","","0.086","0.106","","","","","","0.985","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231523","11.526","0.0002","7.222","0.0002","26.949","0.0007","90","","90","","90","","2243.26","0.09","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0669","0.0384","","","0.1002","0.1173","","","","","","1.079","","","","has coordinates,has disorder","229053","2020-10-21","18:00:00",""
"7231573","14.0391","0.0004","6.7782","0.0002","21.9289","0.0005","90","","90","","90","","2086.75","0.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Tb -","- C10 H5 O6 Tb -","- C80 H40 O48 Tb8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0309","0.0214","","","0.0345","0.0363","","","","","","1.093","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231578","14.0967","0.0008","6.8258","0.0003","22.0196","0.0013","90","","90","","90","","2118.8","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Eu O6 -","- C10 H5 Eu O6 -","- C80 H40 Eu8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0499","0.0259","","","0.0572","0.0845","","","","","","1.149","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231581","14.1351","0.0006","6.8443","0.0003","22.0442","0.001","90","","90","","90","","2132.66","0.16","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Sm -","- C10 H5 O6 Sm -","- C80 H40 O48 Sm8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0577","0.0412","","","0.0972","0.1039","","","","","","1.199","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231582","13.9332","0.0016","6.7258","0.0008","21.795","0.002","90","","90","","90","","2042.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Er O6 -","- C10 H5 Er O6 -","- C80 H40 Er8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0303","0.0232","","","0.0486","0.0504","","","","","","1.104","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231607","14.7396","0.0011","12.3042","0.0009","19.6197","0.0012","90","","90","","90","","3558.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","1","","Yu, Shuyan; Wu, Jingxin; Lan, Hongbing; Xu, Hanwen; Shi, Xiaofei; Zhu, Xuewen; Yin, Zhigang","Transition metal/Brønsted acid cooperative catalysis enabled facile synthesis of 8-hydroxyquinolines through one-pot reactions of ortho-aminophenol, aldehydes and alkynes","RSC Advances","2018","8","59","33968","","10.1039/C8RA07212D","","","0.71073","MoKα","","0.0747","0.0512","","","0.1325","0.1506","","","","","","1.0422","","","","has coordinates","211318","2020-10-21","18:00:00",""
"7231615","7.5398","0.0015","12.847","0.003","26.646","0.005","90","","90","","90","","2581","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H17 As Mn N7 S4 -","- C H17 As Mn N7 S4 -","- C8 H136 As8 Mn8 N56 S32 -","8","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0598","0.0422","","","0.091","0.1016","","","","","","1.116","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231628","17.837","0.004","17.886","0.005","23.754","0.006","90","","90","","90","","7578","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cu6 Mo5 N18 O23 -","- C12 H20 Cu6 Mo5 N18 O23 -","- C96 H160 Cu48 Mo40 N144 O184 -","8","1","","He, Danfeng; Liu, Shumei; Zhou, Fujiang; Zhao, Xianjun; Liu, Yiwei; Luo, Fang; Liu, Shuxia","Recognition of trace organic pollutant and toxic metal ions via a tailored fluorescent metal‒organic coordination polymer in water environment","RSC Advances","2018","8","60","34712","","10.1039/C8RA05502E","","","0.71073","MoKα","","0.1258","0.0815","","","0.1413","0.1602","","","","","","1.057","","","","has coordinates","211387","2020-10-21","18:00:00",""
"7231752","10.8479","0.0018","20.105","0.003","22.305","0.004","90","","90","","90","","4864.7","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cd N O11 -","- C24 H23 Cd N O11 -","- C192 H184 Cd8 N8 O88 -","8","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0502","0.0333","","","0.0789","0.0869","","","","","","1.023","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231972","9.4039","0.0019","7.8696","0.0016","9.4732","0.0019","90","","90","","90","","701.1","0.2","153","2","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 O4 -","- C2 H2 N8 O4 -","- C8 H8 N32 O16 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.064","0.0606","","","0.1389","0.1402","","","","","","1.23","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7232002","18.999","0.011","8.978","0.005","23.512","0.014","90","","90","","90","","4011","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H17 I2 N3 O2 S2 Sn -","- C13 H17 I2 N3 O2 S2 Sn -","- C104 H136 I16 N24 O16 S16 Sn8 -","8","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0497","0.0362","","","0.0844","0.0884","","","","","","1.081","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232165","15.3118","0.0003","9.8222","0.0002","26.0811","0.0006","90","","90","","90","","3922.48","0.14","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C168 H168 Br8 N16 O8 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1688","0.0834","","","0.2285","0.2786","","","","","","1.03","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232257","11.1193","0.0004","18.3316","0.0008","19.041","0.0008","90","","90","","90","","3881.2","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 F6 N2 Ni O4 -","- C16 H18 F6 N2 Ni O4 -","- C128 H144 F48 N16 Ni8 O32 -","8","1","","Adjei, Jeanette A.; Lough, Alan J.; Gossage, Robert A.","Synthesis and characterisation of κ2-N,O-oxazoline-enolate complexes of nickel(ii): explorations in coordination chemistry and metal-mediated polymerisation","RSC Advances","2019","9","7","3956","","10.1039/C8RA10304F","","","0.71073","MoKα","","0.0735","0.0386","","","0.0679","0.0789","","","","","","0.993","","","","has coordinates,has disorder","213384","2020-10-21","18:00:00",""
"7232268","18.1455","0.0003","14.2463","0.0003","33.2215","0.0007","90","","90","","90","","8588","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H52 B2 O4 P2 Pt -","- C47 H52 B2 O4 P2 Pt -","- C376 H416 B16 O32 P16 Pt8 -","8","1","","Drescher (née Oschmann), Wiebke; Borner, Corinna; Tindall, Daniel J.; Kleeberg, Christian","Exploring unsymmetrical diboranes(4) as boryl ligand precursors: platinum(ii) bis-boryl complexes","RSC Advances","2019","9","7","3900","","10.1039/C9RA00170K","","","0.71073","MoKα","","0.0374","0.0289","","","0.0495","0.0516","","","","","","1.234","","","","has coordinates","213400","2020-10-21","18:00:00",""
"7232308","6.04","0.002","19.12","0.007","26.355","0.009","90","","90","","90","","3043.6","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C144 H120 N8 O32 -","8","1","","Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing","Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones","Green Chemistry","2019","21","5","991","","10.1039/C8GC03929A","","","0.71073","MoKα","","0.1022","0.0548","","","0.132","0.1544","","","","","","1.038","","","","has coordinates","224604","2020-10-21","18:00:00",""
"7232504","16.0893","0.0006","6.8295","0.0003","18.8185","0.0008","90","","90","","90","","2067.81","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cd Cl3 N -","- C5 H14 Cd Cl3 N -","- C40 H112 Cd8 Cl24 N8 -","8","1","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.066","0.0555","","","0.1624","0.1704","","","","","","1.03","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232565","7.6945","0.0001","6.9868","0.0001","15.1284","0.0003","90","","90","","90","","813.3","0.02","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 Ag N O4 -","- C3 Ag N O4 -","- C24 Ag8 N8 O32 -","8","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0284","0.028","","","","0.0754","","","","","","1.111","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232575","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers","CrystEngComm","2019","21","22","3395","","10.1039/C9CE00186G","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223491","2020-10-21","18:00:00",""
"7232581","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223605","2020-10-21","18:00:00",""
"7232610","12.8028","0.0005","18.2985","0.0007","25.461","0.001","90","","90","","90","","5964.8","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co I2 N4 O6 S2 -","- C20 H28 Co I2 N4 O6 S2 -","- C160 H224 Co8 I16 N32 O48 S16 -","8","1","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0457","0.0295","","","0.0581","0.0637","","","","","","1.043","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232638","15.1186","0.0006","18.4249","0.0007","23.5902","0.001","90","","90","","90","","6571.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H34 I2 N8 Ni2 -","- C28 H34 I2.003 N8 Ni2 -","- C224 H272 I16.024 N64 Ni16 -","8","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0979","0.0601","","","0.1353","0.151","","","","","","1.062","","","","has coordinates,has disorder","214697","2020-10-21","18:00:00",""
"7232659","7.911","0.0001","11.6159","0.0002","40.0826","0.0007","90","","90","","90","","3683.33","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0668","0.0471","","","0.1261","0.1527","","","","","","1.133","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232673","15.1625","0.0009","10.8096","0.0006","43.139","0.003","90","","90","","90","","7070.5","0.8","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C304 H384 N16 O16 S16 -","8","1","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0727","0.067","","","0.1372","0.14","","","","","","1.175","","","","has coordinates","223603","2020-10-21","18:00:00",""
"7232712","19.112","0.0014","20.3777","0.0015","22.2356","0.0016","90","","90","","90","","8659.8","1.1","130","2","130","","","","","","","","Isaak Nohara","8","P b c a","-P 2ac 2ab","61","","","","- C49 H41 Cu F6 N O P3 S -","- C49 H41 Cu F6 N O P3 S -","- C392 H328 Cu8 F48 N8 O8 P24 S8 -","8","1","","Nohara, Isaak; Prescimone, Alessandro; Häussinger, Daniel; Housecroft, Catherine E.; Constable, Edwin C.","[Cu(POP)(N^S)][PF6] and [Cu(xantphos)(N^S)][PF6] compounds with 2-(thiophen-2-yl)pyridines","RSC Advances","2019","9","24","13646","","10.1039/C9RA02617G","","","1.54178","CuKα","","0.0382","0.0338","","0.0903","0.0868","0.0903","","","","","","0.9988","","","","has coordinates","214907","2020-10-21","18:00:00",""
"7232755","17.143","0.008","11.806","0.006","7.399","0.01","90","","90","","90","","1497","2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1488","0.0683","","","0.1635","0.2071","","","","","","1.082","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232757","17.1202","0.0017","11.7968","0.0011","7.288","0.002","90","","90","","90","","1471.9","0.5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","0.71073","MoKα","","0.0955","0.0579","","","0.1272","0.147","","","","","","1.076","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232758","17.1522","0.0005","11.8201","0.0004","7.3985","0.0002","90","","90","","90","","1499.98","0.08","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","1.54178","CuKα","","0.0585","0.0448","","","0.1178","0.1223","","","","","","1.073","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232802","20.0543","0.0006","8.8607","0.0003","25.1405","0.0008","90","","90","","90","","4467.3","0.2","170","2","170.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.1829","0.0926","","","0.1703","0.2082","","","","","","1.069","","","","has coordinates,has disorder","223468","2020-10-21","18:00:00",""
"7232860","14.759","0.003","6.9112","0.0019","20.003","0.005","90","","90","","90","","2040.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ia","Phenyl pyridine-2-carboxylate (Ia)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.2079","0.0913","","","0.1491","0.1894","","","","","","1.095","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7233071","10.5391","0.0009","9.15","0.0014","19.861","0.002","90","","90","","90","","1915.3","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","","Zhang, Dongsheng; Fan, Yingzhu; Yan, Zhongliang; Nie, Yi; Xiong, Xingquan; Gao, Lizhu","Reactions of α-haloacroleins with azides: highly regioselective synthesis of formyl triazoles","Green Chemistry","2019","21","15","4211","","10.1039/C9GC01129C","","x-ray","0.71073","MoKα","","0.0629","0.0452","","","0.141","0.1777","","","","","","0.683","","","","has coordinates","224629","2020-10-21","18:00:00",""
"7233098","11.0905","0.0006","10.9922","0.0005","16.1833","0.0008","90","","90","","90","","1972.89","0.17","130","0.1","130","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Imidazolium 2-hydroxybenzoate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej","Toward a new type of proton conductors based on imidazole and aromatic acids","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP01888C","","","0.71073","MoKα","","0.0551","0.045","","","0.1132","0.1222","","","","","","1.087","","","","has coordinates","217000","2020-10-21","18:00:00",""
"7233116","12.6861","0.0016","20.39","0.003","44.345","0.006","90","","90","","90","","11471","3","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H32 B Cu F24 N4 P2 -","- C56 H32 B Cu F24 N4 P2 -","- C448 H256 B8 Cu8 F192 N32 P16 -","8","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0804","0.0671","","","0.1561","0.1642","","","","","","1.132","","","","has coordinates","217026","2020-10-21","18:00:00",""
"7233117","25.213","0.002","16.3919","0.0013","26.065","0.003","90","","90","","90","","10772.4","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H30 F18 Ir N3 O2 P2 -","- C52 H30 F18 Ir N3 O2 P2 -","- C416 H240 F144 Ir8 N24 O16 P16 -","8","1","","Hong-Yan Li; Liang Zhou; Ming-Yu Teng; Qiu-Lei Xu; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Hong-Jie Zhangb; Xiao-Zeng Youa","Highly efficient green phosphorescent OLEDs based on a novel iridium complex","Journal of Materials Chemistry C","2013","1","","560","565","10.1039/C2TC00052K","","","0.71073","MoKα","","0.0624","0.0371","","","0.0896","0.0983","","","","","","1.055","","","","has coordinates,has disorder","217027","2020-10-21","18:00:00",""
"7233174","8.194","0.002","16.337","0.005","31.464","0.008","90","","90","","90","","4212","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.1234","0.0558","","","0.1121","0.1431","","","","","","1.004","","","","has coordinates","217106","2020-10-21","18:00:00",""
"7233275","17.3785","0.0005","15.1256","0.0004","22.8088","0.0006","90","","90","","90","","5995.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cu2 N5 O13 -","- C24 H33 Cu2 N5 O13 -","- C192 H264 Cu16 N40 O104 -","8","1","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0572","0.0373","","","0.0922","0.1117","","","","","","1.116","","","","has coordinates,has disorder","223704","2020-10-21","18:00:00",""
"7233278","10.186","0.002","7.5771","0.0015","38.191","0.008","90","","90","","90","","2947.6","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C136 H160 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0691","0.0583","","","0.1389","0.1464","","","","","","1.083","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233281","10.303","0.002","7.6173","0.0015","38.517","0.008","90","","90","","90","","3022.9","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl2 N4 O4 -","- C32 H34 Cl2 N4 O4 -","- C128 H136 Cl8 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0771","0.0634","","","0.1529","0.1634","","","","","","1.089","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233289","7.0827","0.0003","18.8755","0.0005","19.6605","0.0006","90","","90","","90","","2628.4","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N4 S2 -","- C14 H6 N4 S2 -","- C112 H48 N32 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0585","0.0431","","","0.0987","0.1053","","","","","","1.054","","","","has coordinates,has disorder","217344","2020-10-21","18:00:00",""
"7233290","16.8041","0.0005","8.14","0.0003","23.1477","0.0009","90","","90","","90","","3166.27","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N4 O2 S2 -","- C16 H10 N4 O2 S2 -","- C128 H80 N32 O16 S16 -","8","1","","Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip","Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity","RSC Advances","2019","9","41","23797","","10.1039/C9RA04731J","","","0.71073","MoKα","","0.0532","0.036","","","0.0927","0.1012","","","","","","1.092","","","","has coordinates","217344","2020-10-21","18:00:00",""
"7233341","15.0364","0.0005","21.739","0.0008","25.9182","0.0009","90","","90","","90","","8472","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H39 Ce N3 O3 S6 -","- C45 H39 Ce N3 O3 S6 -","- C360 H312 Ce8 N24 O24 S48 -","8","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.0549","0.0374","","","0.0851","0.0939","","","","","","1.081","","","","has coordinates","217422","2020-10-21","18:00:00",""
"7233369","16.6055","0.001","19.9177","0.0014","21.7032","0.0014","90","","90","","90","","7178.2","0.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H55 Cl N4 O4 -","- C35 H55 Cl N4 O4 -","- C280 H440 Cl8 N32 O32 -","8","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0506","0.0364","","","0.0871","0.0944","","","","","","1.017","","","","has coordinates","217508","2020-10-21","18:00:00",""
"7233373","16.9397","0.0008","19.8774","0.0009","21.6754","0.001","90","","90","","90","","7298.5","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H55 Br N4 O4 -","- C35 H55 Br N4 O4 -","- C280 H440 Br8 N32 O32 -","8","1","","Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J.","Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03764K","","","0.71073","MoKα","","0.0848","0.0404","","","0.0765","0.0887","","","","","","1.002","","","","has coordinates","217508","2020-10-21","18:00:00",""
"7233381","12.6478","0.001","10.1017","0.0008","26.833","0.003","90","","90","","90","","3428.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 2-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)selanyl)benzoate","","- C18 H17 N3 O2 Se -","- C18 H17 N3 O2 Se -","- C144 H136 N24 O16 Se8 -","8","1","","Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O.","Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides","RSC Advances","2019","9","44","25368","","10.1039/C9RA05004C","","x-ray","0.71073","MoKα","","0.1656","0.0537","","","0.0992","0.1373","","","","","","0.982","","","","has coordinates","217522","2020-10-21","18:00:00",""
"7233407","16.2198","0.0002","10.5608","0.0001","21.3159","0.0002","90","","90","","90","","3651.29","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cu2 N4 O14 -","- C34 H28 Cu2 N4 O14 -","- C136 H112 Cu8 N16 O56 -","4","0.5","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0546","0.0506","","","0.1522","0.1572","","","","","","1.07","","","","has coordinates,has disorder","223696","2020-10-21","18:00:00",""
"7233482","15.196","0.008","7.934","0.004","29.846","0.016","90","","90","","90","","3598","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O S -","- C23 H19 N O S -","- C184 H152 N8 O8 S8 -","8","1","","Lin Kong; Jia-xiang Yang; Zhao-ming Xue; Hong-ping Zhou; Long-jiu Cheng; Qiong Zhang; Jie-ying Wu; Bao-kang Jin; Sheng-yi Zhang; Yu-peng Tian","Regulation of luminescence band and exploration of antibacterial activity of a nanohybrid composed of fluorophore-phenothiazine nanoribbons dispersed with Ag nanoparticles","Journal of Materials Chemistry C","2013","1","","5047","5057","10.1039/C3TC30515E","","","0.71073","MoKα","","0.1129","0.0515","","","0.1277","0.1588","","","","","","1.031","","","","has coordinates","217742","2020-10-21","18:00:00",""
"7233549","10.969","0.005","7.342","0.005","36.533","0.005","90","0.005","90","0.005","90","0.005","2942","2","296","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Lianke Wang; Zheng Zheng; Zhipeng Yu; Jun Zheng; Min Fang; Jieying Wu; Yupeng Tian; Hongping Zhou","Schiff base particles with aggregation-induced enhanced emission: random aggregation preventing pi-pi stacking","Journal of Materials Chemistry C","2012","1","","6952","6959","10.1039/C3TC31626B","","","0.71069","MoKα","","0.0457","0.0378","","","0.1133","0.1275","","","","","","1.115","","","","has coordinates","217828","2020-10-21","18:00:00",""
"7233688","32.238","0.006","20.371","0.004","7.4765","0.0012","90","","90","","90","","4910","1.5","123","","123","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H24 -","- C42 H24 -","- C336 H192 -","8","1","","Chi-Hsien Kuo; Ding-Chi Huang; Wei-Tao Peng; Kenta Goto; Ito Chao; Yu-Tai Tao","Substituent effect on the crystal packing and electronic coupling of tetrabenzocoronenes: a structure-property correlation","Journal of Materials Chemistry C","2014","2","","3928","3935","10.1039/C4TC00296B","","","0.71075","MoKα","","","0.0833","","","","0.1762","","","","","","1.261","","","","has coordinates","218039","2020-10-21","18:00:00",""
"7233744","13.109","0.003","12.646","0.003","20.478","0.004","90","","90","","90","","3394.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C152 H152 B8 F16 N16 -","8","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0874","0.0638","","","0.1666","0.1885","","","","","","1.035","","","","has coordinates","218132","2020-10-21","18:00:00",""
"7233927","18.3275","0.0011","18.7403","0.0011","63.453","0.003","90","","90","","90","","21794","2","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C111 H85 B2 Cl2 Cr F48 N5 -","- C111 H85 B2 Cl2 Cr F48 N5 -","- C888 H680 B16 Cl16 Cr8 F384 N40 -","8","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.0853","0.0535","","","0.1298","0.1468","","","","","","1.05","","","","has coordinates","218417","2020-10-21","18:00:00",""
"7234130","15.8955","0.0003","9.83109","0.00015","26.4038","0.0006","90","","90","","90","","4126.12","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 B F2 N3 S -","- C23 H20 B F2 N3 S -","- C184 H160 B8 F16 N24 S8 -","8","1","","Qingsong Liu; Xiaoqing Wang; Hui Yan; Yanping Wu; Zhenyu Li; Shuwen Gong; Peng Liu; Zhipeng Liu","Benzothiazole-enamide-based BF2 complexes: luminophores exhibiting aggregation-induced emission, tunable emission and highly efficient solid-state emission","Journal of Materials Chemistry C","2015","3","","2953","2959","10.1039/C4TC02876G","","","1.54184","CuKα","","0.0494","0.0407","","","0.1","0.1076","","","","","","1.023","","","","has coordinates","218814","2020-10-21","18:00:00",""
"7234138","12.2686","0.0009","12.647","0.0009","31.172","0.002","90","","90","","90","","4836.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Br Cl2 N -","- C29 H24 Br Cl2 N -","- C232 H192 Br8 Cl16 N8 -","8","1","","Pachaiyappan Rajamalli; Parthasarathy Gandeepan; Min-Jie Huang; Chien-Hong Cheng","Bromo induced reversible distinct color switching of a structurally simple donor-acceptor molecule by vapo, piezo and thermal stimuli","Journal of Materials Chemistry C","2015","3","","3329","3335","10.1039/C5TC00109A","","","0.71073","MoKα","","0.0888","0.0657","","","0.1501","0.1609","","","","","","1.06","","","","has coordinates","218820","2020-10-21","18:00:00",""
"7234152","15.21","0.04","8.42","0.02","20.22","0.05","90","","90","","90","","2590","11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","III","1-naphtyl pyridine-2-carboxylate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","","0.71073","MoKα","","0.1096","0.0991","","","0.2867","0.3057","","","","","","1.168","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234166","6.5986","0.0006","9.8591","0.0008","29.604","0.002","90","","90","","90","","1925.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7,8,11-trioxaspiro[5.6]dodecane-9,10-diol","","- C8 H14 O6 -","- C8 H14 O6 -","- C64 H112 O48 -","8","1","","Makhmudiyarova, Nataliya N.; Shangaraev, Kamil R.; Dzhemileva, Lilya U.; Tyumkina, Tatyana V.; Mescheryakova, Ekaterina S.; D'yakonov, Vladimir A.; Ibragimov, Askhat G.; Dzhemilev, Usein M.","New synthesis of tetraoxaspirododecane-diamines and tetraoxazaspirobicycloalkanes","RSC Advances","2019","9","51","29949","","10.1039/C9RA06372B","","x-ray","0.71073","MoKα","","0.1975","0.0921","","","0.2133","0.2743","","","","","","0.975","","","","has coordinates","218855","2020-10-21","18:00:00",""
"7234184","18.0254","0.0006","9.4485","0.0003","18.8799","0.0009","90","","90","","90","","3215.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","0.5","","Pengchong Xue; Jiabao Sun; Peng Chen; Peng Gong; Boqi Yao; Zhenqi Zhang; Chong Qian; Ran Lu","Strong solid emission and mechanofluorochromism of carbazole-based terephthalate derivatives adjusted by alkyl chains","Journal of Materials Chemistry C","2015","3","","4086","4092","10.1039/C5TC00267B","","","0.71073","MoKα","","0.0802","0.0533","","","0.1101","0.1227","","","","","","1.042","","","","has coordinates","218869","2020-10-21","18:00:00",""
"7234205","8.0702","0.0003","10.9452","0.0004","31.8143","0.0012","90","","90","","90","","2810.16","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Mo N3 O5 -","- C14 H11 Mo N3 O5 -","- C112 H88 Mo8 N24 O40 -","8","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0398","0.0298","","","0.0671","0.0714","","","","","","1.06","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234265","8.455","0.002","19.449","0.005","19.449","","90","","90","","90","","3198.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N O S -","- C17 H18 N O S -","- C136 H144 N8 O8 S8 -","8","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71073","MoKα","","0.0868","0.055","","","0.1517","0.1687","","","","","","0.944","","","","has coordinates,has disorder","218960","2020-10-21","18:00:00",""
"7234297","16.765","0.002","15.096","0.008","20.642","0.001","90","","90","","90","","5224","3","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H18 F4 Ir N5 O2 -","- C28 H18 F4 Ir N5 O2 -","- C224 H144 F32 Ir8 N40 O16 -","8","1","","K. S. Bejoymohandas; Arunandan Kumar; S. Varughese; E. Varathan; V. Subramanian; M. L. P. Reddy","Photophysical and electroluminescence properties of bis(2',6'-difluoro-2,3'-bipyridinato-N,C4')iridium(picolinate) complexes: effect of electron-withdrawing and electron-donating group substituents at the 4' position of the pyridyl moiety of the cyclometalated ligand","Journal of Materials Chemistry C","2015","3","","7405","7420","10.1039/C5TC01260K","","","0.71073","MoKα","","0.09","0.0772","","","0.1937","0.2141","","","","","","1.048","","","","has coordinates","219013","2020-10-21","18:00:00",""
"7234301","5.0661","0.0017","15.948","0.006","25.586","0.009","90","","90","","90","","2067.2","1.3","200","2","200","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C36 H20 -","- C36 H20 -","- C144 H80 -","4","0.5","","Tien-Lin Wu; Chi-Hsien Kuo; Bo-Chao Lin; Yu-Tai Tao; Chao-Ping Hsu; Rai-Shung Liu","Synthesis of planar dibenzo[de,op]bistetracene derivatives for organic field-effect transistor applications: substituent effect on crystal packing and charge transport property","Journal of Materials Chemistry C","2015","3","","7583","7588","10.1039/C5TC01455G","","","0.71073","MoKα","","0.1674","0.0659","","","0.1682","0.2555","","","","","","1.016","","","","has coordinates","219018","2020-10-21","18:00:00",""
"7234461","7.072","0.0003","19.5933","0.0009","24.3261","0.0011","90","","90","","90","","3370.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N2 S -","- C23 H14 N2 S -","- C184 H112 N16 S8 -","8","1","","Maxime Romain; Denis Tondelier; Olivier Jeannin; Bernard Geffroy; Joelle Rault-Berthelot; Cyril Poriel","Properties modulation of organic semi-conductors based on a donor-spiro-acceptor (D-spiro-A) molecular design: new host materials for efficient sky-blue PhOLEDs","Journal of Materials Chemistry C","2015","3","","9701","9713","10.1039/C5TC01812A","","x-ray","0.71073","MoKα","","0.0515","0.0374","","","0.1012","0.1211","","","","","","1.11","","","","has coordinates","219157","2020-10-21","18:00:00",""
"7234547","13.854","0.002","15.11","0.002","16.697","0.003","90","","90","","90","","3495.2","0.9","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","","Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud","Solid state red biphotonic excited emission from small dipolar fluorophores","Journal of Materials Chemistry C","2016","4","","766","779","10.1039/C5TC03465E","","","1.5418","CuKα","","0.0755","0.0621","","0.1105","0.0947","0.1105","","","","","","1.0253","","","","has coordinates","219284","2020-10-21","18:00:00",""
"7234561","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Yuanxiang Xu; Kai Wang; Yujian Zhang; Zengqi Xie; Bo Zou; Yuguang Ma","Fluorescence mutation and structural evolution of a pi-conjugated molecular crystal during phase transition","Journal of Materials Chemistry C","2016","4","","1257","1262","10.1039/C5TC03745J","","","0.71073","MoKα","","0.0916","0.0565","","","0.129","0.1489","","","","","","1.034","","","","has coordinates","219293","2020-10-21","18:00:00",""
"7234619","6.2039","0.0004","12.3689","0.001","42.218","0.004","90","","90","","90","","3239.6","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Amino-BODIPY","Ammonia-BODIPY","","- C15 H6 B Br F7 N3 -","- C15 H6 B Br F7 N3 -","- C120 H48 B8 Br8 F56 N24 -","8","1","","Masood Ayoub Kaloo; Adiki Raja Sekhar; R. V. Ramana Reddy; Ramya Sunder Raman; Jeyaraman Sankar","A facile and visual approach for the detection of trace level ammonia vapours under ambient conditions","Journal of Materials Chemistry C","2016","4","","2452","2456","10.1039/C6TC00426A","","","0.71073","MoKα","","0.0994","0.0507","","","0.1089","0.1276","","","","","","1.02","","","","has coordinates","219355","2020-10-21","18:00:00",""
"7234680","7.4376","0.0002","6.1629","0.0001","42.296","0.003","90","","90","","90","","1938.73","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","BOPAnt","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","0.5","","Lijia Yan; Yang Zhao; Hongtao Yu; Zhao Hu; Yaowu He; Aiyuan Li; Osamu Goto; Chaoyi Yan; Ting Chen; Runfeng Chen; Yueh-Lin Loo; Dmitrii F. Perepichka; Hong Meng; Wei Huang","Influence of heteroatoms on the charge mobility of anthracene derivatives","Journal of Materials Chemistry C","2016","4","","3517","3522","10.1039/C6TC01088A","","","1.54178","CuKα","","0.0469","0.0405","","","0.1071","0.1114","","","","","","1.085","","","","has coordinates","219396","2020-10-21","18:00:00",""
"7234745","17.2218","0.0006","13.242","0.0004","17.2998","0.0005","90","","90","","90","","3945.2","0.2","293.8","0.2","293.8","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 F3 O3 -","- C23 H17 F3 O3 -","- C184 H136 F24 O24 -","8","1","","Peng, Fu; Zhao, Qian; Huang, Wei; Liu, Shuai-Jiang; Zhong, Ya-Jun; Mao, Qing; Zhang, Nan; He, Gu; Han, Bo","Amine-catalyzed and functional group-controlled chemo- and regioselective synthesis of multi-functionalized CF3-benzene via a metal-free process","Green Chemistry","2019","","","","","10.1039/C9GC02694K","","x-ray","1.54184","CuKα","","0.0739","0.065","","","0.1607","0.1709","","","","","","1.085","","","","has coordinates","219460","2020-10-21","18:00:00",""
"7234793","7.9617","0.0001","9.9312","0.0001","23.5837","0.0003","90","","90","","90","","1864.75","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0234","0.0188","","","0.0489","0.052","","","","","","1.059","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234796","8.134","0.002","9.964","0.003","23.849","0.006","90","","90","","90","","1932.9","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0549","0.0417","","","0.1026","0.1122","","","","","","1.037","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234811","10.764","0.008","11.06","0.008","25.394","0.019","90","","90","","90","","3023","4","296.15","","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O10 -","- C13 H16 O10 -","- C104 H128 O80 -","8","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.1538","0.0942","","","0.1967","0.2404","","","","","","1.021","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234858","12.3067","0.0003","18.4393","0.0004","21.0597","0.0005","90","","90","","90","","4779.01","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O S -","- C28 H26 N2 O S -","- C224 H208 N16 O8 S8 -","8","1","","Shen, Shou-Jie; Du, Xiao-Li; Xu, Xiao-Li; Wu, Yue-Hua; Zhao, Ming-gang; Liang, Jin-Yan","Combined inorganic base promoted N-addition/[2,3]-sigmatropic rearrangement to construct homoallyl sulfur-containing pyrazolones","RSC Advances","2019","9","60","34912","","10.1039/C9RA07610G","","","0.71","MoKα","","0.0927","0.0669","","","0.186","0.206","","","","","","1.057","","","","has coordinates,has disorder","220531","2020-10-21","18:00:00",""
"7234861","10.625","0.002","15.478","0.003","32.301","0.007","90","","90","","90","","5312","1.8","","","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 B F3.569 Ir N5 -","- C30 H23 B F3.58 Ir N5 -","- C240 H184 B8 F28.64 Ir8 N40 -","8","1","","Dongxin Ma; Chen Zhang; Yong Qiu; Lian Duan","Highly efficient blue-green organic light-emitting diodes achieved by controlling the anionic migration of cationic iridium(iii) complexes","Journal of Materials Chemistry C","2016","4","","5731","5738","10.1039/C6TC01302C","","","0.71073","MoKα","","0.1104","0.0898","","","0.2274","0.251","","","","","","1.4862","","","","has coordinates,has disorder","220537","2020-10-21","18:00:00",""
"7234886","14.74","0.003","14.827","0.003","18.17","0.004","90","","90","","90","","3971.1","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 B F2 N5 O4 -","- C18 H18 B F2 N5 O4 -","- C144 H144 B8 F16 N40 O32 -","8","1","","Ryan R. Maar; Joe B. Gilroy","Aggregation-induced emission enhancement in boron difluoride complexes of 3-cyanoformazanates","Journal of Materials Chemistry C","2016","4","","6478","6482","10.1039/C6TC01782G","","","1.54178","CuKα","","0.0313","0.0296","","","0.074","0.0753","","","","","","1.034","","","","has coordinates","220591","2020-10-21","18:00:00",""
"7234978","10.0908","0.0009","13.733","0.001","21.1628","0.0015","90","","90","","90","","2932.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Br2 N4 O10 V2 -","- C24 H32 Br2 N4 O10 V2 -","- C96 H128 Br8 N16 O40 V8 -","4","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight","RSC Advances","2019","9","60","35165","","10.1039/C9RA07006K","","","0.71073","MoKα","","0.0466","0.0356","","","0.0926","0.0987","","","","","","1.058","","","","has coordinates","223446","2020-10-21","18:00:00",""
"7234990","16.0791","0.0003","11.5168","0.0002","29.4333","0.0006","90","","90","","90","","5450.45","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 N5 Se2 -","- C27 H29 N5 Se2 -","- C216 H232 N40 Se16 -","8","1","","Prabusankar, Ganesan; Raju, Gembali; Vaddamanu, Moulali; Muthukumaran, Nirmala; Sathyanarayana, Arruri; Nakamura, Shin-ya; Masaya, Yamane; Hisano, Kyohei; Tsutsumi, Osamu; Biswas, Chinmoy; Kumar Raavi, Sai Santosh","Luminescent zinc(ii) selone macrocyclic ring","RSC Advances","2019","9","26","14841","","10.1039/C9RA01819K","","x-ray","1.54184","CuKα","","0.0712","0.0515","","","0.1503","0.1786","","","","","","1.0417","","","","has coordinates","223458","2020-10-21","18:00:00",""
"7235019","5.8265","0.0001","7.6208","0.0002","31.9178","0.0009","90","","90","","90","","1417.23","0.06","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","""poly-[(mu4-thiobenzoato-kO:kS:kS:kS)silver(I)]""","","- C7 H5 Ag O S -","- C7 H5 Ag O S -","- C56 H40 Ag8 O8 S8 -","8","1","","Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado","A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence","Journal of Materials Chemistry C","2016","4","","8545","8551","10.1039/C6TC02401G","","","0.71073","MoKα","","0.0523","0.0299","","","0.0559","0.0625","","","","","","1.081","","","","has coordinates","227665","2020-10-21","18:00:00",""
"7235020","5.781","0.005","7.593","0.006","31.74","0.03","90","","90","","90","","1393","2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","""poly-[(mu4-thiobenzoato-kO:kS:kS:kS)silver(I)]""","","- C7 H5 Ag O S -","- C7 H5 Ag O S -","- C56 H40 Ag8 O8 S8 -","8","1","","Javier Troyano; Oscar Castillo; Pilar Amo-Ochoa; Vanesa Fernandez-Moreira; Carlos J. Gomez-Garcia; Felix Zamora; Salome Delgado","A crystalline and free-standing silver thiocarboxylate thin-film showing high green to yellow luminescence","Journal of Materials Chemistry C","2016","4","","8545","8551","10.1039/C6TC02401G","","","0.71073","MoKα","","0.0384","0.032","","","0.0635","0.0656","","","","","","1.149","","","","has coordinates","227665","2020-10-21","18:00:00",""
"7235103","9.9964","0.0003","9.0958","0.0004","39.9654","0.0015","90","","90","","90","","3633.9","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RS-naproxen DL-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylatepolymorph I","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0579","0.0397","","","0.0952","0.1074","","","","","","1.06","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235150","9.8696","0.0006","18.0782","0.0012","27.2802","0.0017","90","","90","","90","","4867.5","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Mn1.5 N3 O12 -","- C15 H13 Mn1.5 N3 O12 -","- C120 H104 Mn12 N24 O96 -","8","1","","K. S. Asha; Arthur C. Reber; N. Ahmed; R. Nath; Shiv N. Khanna; Sukhendu Mandal","The effect of substituted benzene dicarboxylic acid linkers on the optical band gap energy and magnetic coupling in manganese trimer metal organic frameworks","Journal of Materials Chemistry C","2017","5","","539","548","10.1039/C6TC03577A","","","0.71073","MoKα","","0.1844","0.1388","","","0.4009","0.4281","","","","","","1.585","","","","has coordinates","230984","2020-10-21","18:00:00",""
"7235213","7.6304","0.0005","17.6827","0.0013","17.7371","0.0011","90","","90","","90","","2393.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O12 -","- C20 H20 Co N6 O12 -","- C80 H80 Co4 N24 O48 -","4","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.1301","0.073","","","0.1376","0.1607","","","","","","1.111","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235226","12.1391","0.0002","12.7561","0.00012","38.9751","0.0004","90","","90","","90","","6035.2","0.13","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C336 H208 N16 O32 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.099","0.0954","","","0.2882","0.2908","","","","","","1.146","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235277","11.411","0.003","11.385","0.0017","19.507","0.003","90","","90","","90","","2534.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","35a","35a","","- C9 H6 S6 -","- C9 H6 S6 -","- C72 H48 S48 -","8","1","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0586","0.0402","","","0.0814","0.1085","","","","","","1.095","","","","has coordinates","232644","2020-10-21","18:00:00",""
"7235349","16.967","0.001","9.805","0.001","22.225","0.002","90","","90","","90","","3697.4","0.5","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-(4-(9H-carbazol-9-yl)phenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol","","- C23 H20 N4 O -","- C23 H20 N4 O -","- C184 H160 N32 O8 -","8","1","","Hörner, Anna; Volz, Daniel; Hagendorn, Tobias; Fürniss, Daniel; Greb, Lutz; Rönicke, Franziska; Nieger, Martin; Schepers, Ute; Bräse, Stefan","Switchable fluorescence by click reaction of a novel azidocarbazole dye","RSC Adv.","2014","4","23","11528","","10.1039/C3RA47964A","","","0.71073","MoKα","","0.0872","0.0537","","","0.1082","0.1221","","","","","","1.06","","","","has coordinates","232712","2020-10-21","18:00:00",""
"7235418","18.0076","0.001","7.3919","0.0004","36.337","0.002","90","","90","","90","","4836.8","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.066","0.046","","","0.1093","0.1214","","","","","","1.022","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235455","14.8017","0.001","13.8173","0.0009","17.9104","0.0012","90","","90","","90","","3663","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","'4N-((7-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromen-8-yl) (4-methoxyphenyl)methyl)acetamide'","","- C20 H16 F3 N O5 -","- C20 H16 F3 N O5 -","- C160 H128 F24 N8 O40 -","8","1","","Emmadi, Narender Reddy; Atmakur, Krishnaiah; Chennapuram, Madhu; Nanubolu, Jagadeesh Babu","Synthesis of amidoalkyl chromen-2-ones by one pot three component reaction under solvent free conditions","RSC Advances","2014","4","28","14501","","10.1039/c4ra00166d","","","0.71073","MoKα","","0.038","0.0337","","","0.0914","0.0959","","","","","","1.032","","","","has coordinates","233046","2020-10-21","18:00:00",""
"7235573","11.689","0.0003","14.7288","0.0004","17.9191","0.0005","90","","90","","90","","3085.04","0.14","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","coppercitrate","","","- C8 H14 Cu N6 O8 -","- C8 H14 Cu N6 O8 -","- C64 H112 Cu8 N48 O64 -","8","1","","Ghosh, Raja; K. S., Asha; Pratik, Saied Md.; Datta, Ayan; Nath, Ramesh; Mandal, Sukhendu","Synthesis, structure, photocatalytic and magnetic properties of an oxo-bridged copper dimer","RSC Adv.","2014","4","41","21195","","10.1039/C4RA01886A","","","0.71073","MoKα","","0.0538","0.037","","","0.1156","0.129","","","","","","1.053","","","","has coordinates","233145","2020-10-21","18:00:00",""
"7235603","18.7272","0.0013","11.8149","0.0008","29.4","0.002","90","","90","","90","","6505","0.8","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H43 Cl Cr N3 -","- C35 H43 Cl Cr N3 -","- C280 H344 Cl8 Cr8 N24 -","8","1","","Liu, Jing-Yu; Tao, Ping; Wang, Yong-Xia; Li, Yue-Sheng","Highly active half-sandwich chromium(iii) catalysts bearing bis(imino)pyrrole ligands for ethylene (co)polymerization","RSC Adv.","2014","4","37","19433","","10.1039/C4RA02039A","","","0.71073","MoKα","","0.121","0.0742","","","0.1683","0.1978","","","","","","1.018","","","","has coordinates","233165","2020-10-21","18:00:00",""
"7235700","12.523","0.002","11.363","0.0019","16.558","0.003","90","","90","","90","","2356.2","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2,2,2-trinitro-N-(2,2,2-trinitroethylidene)ethanamine","","- C4 H3 N7 O12 -","- C4 H3 N7 O12 -","- C32 H24 N56 O96 -","8","1","","Gao, Haixiang; Shreeve, Jean'ne M.","Trinitroethyl ‒ a functionality leading to energetic compounds with high nitro content","RSC Advances","2014","4","47","24874","","10.1039/c4ra03885a","","","0.71073","MoKα","","0.0527","0.0319","","","0.0725","0.0826","","","","","","1.029","","","","has coordinates","233236","2020-10-21","18:00:00",""
"7235706","5.729","0.0011","7.0037","0.001","31.751","0.005","90","","90","","90","","1274","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cu O S -","- C7 H5 Cu O S -","- C56 H40 Cu8 O8 S8 -","8","1","","Joshi, Deepak Kumar; Mishra, Kunj Bihari; Tiwari, Vinod Kumar; Bhattacharya, Subrato","Synthesis, structure, and catalytic activities of new Cu(i) thiocarboxylate complexes","RSC Adv.","2014","4","75","39790","","10.1039/C4RA05290K","","","0.71073","MoKα","","0.1049","0.0548","","","0.0818","0.0948","","","","","","1.012","","","","has coordinates","233239","2020-10-21","18:00:00",""
"7235713","12.387","0.003","11.618","0.002","18.866","0.004","90","","90","","90","","2715","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 N14 O12 -","- C16 H16 Cl2 N14 O12 -","- C64 H64 Cl8 N56 O48 -","4","0.5","","Wu, Bo; Yang, Hongwei; Wang, Zhixin; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of new energetic derivatives containing a high nitrogen content moiety and picryl group: a new strategy for incorporating the picryl functionality","RSC Adv.","2014","4","95","53282","","10.1039/C4RA08084J","","","0.71073","MoKα","","0.081","0.0566","","","0.1394","0.1549","","","","","","1.041","","","","has coordinates","233246","2020-10-21","18:00:00",""
"7235728","11.935","0.003","12.812","0.003","20.795","0.005","90","","90","","90","","3179.8","1.3","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.0849","0.0744","","","0.1259","0.1343","","","","","","1.255","","","","has coordinates","233266","2020-10-21","18:00:00",""
"7235730","10.361","0.002","14.6319","0.0007","20.1158","0.0009","90","","90","","90","","3049.6","0.6","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C176 H128 O16 -","8","1","","Li, Xiao-Jun; Li, Meng; Yao, Wei; Lu, Hai-Yan; Zhao, YongSheng; Chen, Chuan-Feng","Dialkoxybenzo[j]fluoranthenes: synthesis, structures, photophysical properties, and optical waveguide application","RSC Advances","2015","5","24","18609","","10.1039/C4RA17112H","","","0.71073","MoKα","","0.068","0.0625","","","0.1224","0.125","","","","","","1.224","","","","has coordinates","233266","2020-10-21","18:00:00",""
"7235840","13.696","0.003","12.414","0.003","20.618","0.004","90","","90","","90","","3505.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cd N4 O5 -","- C18 H14 Cd N4 O5 -","- C144 H112 Cd8 N32 O40 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Qiang, Liang Sheng; Wei, Li Guo; Wang, Ping; Zhang, Hui Jie; Yang, Yu Lin; Wang, Yu Lei","An insight into the controllable synthesis of Cd(ii) complexes with a new multifunctional ligand and its application in dye-sensitized solar cells and luminescence properties","Journal of Materials Chemistry A","2015","3","11","6053","","10.1039/C4TA06671E","","","0.71073","MoKα","","0.0393","0.0292","","","0.067","0.0701","","","","","","1.083","","","","has coordinates","233376","2020-10-21","18:00:00",""
"7235874","10.0878","0.0014","12.7641","0.0016","28.139","0.004","90","","90","","90","","3623.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H0 N6 O0.13 S -","- C20 H16 N2 O4 S -","- C160 H128 N16 O32 S8 -","8","1","","Zhao, Xuan-Xuan; Zhang, Jin-Feng; Liu, Wei; Zhou, Shuai; Zhou, Ze-Quan; Xiao, Yu-Hao; Xi, Gang; Miao, Jun-Ying; Zhao, Bao-Xiang","A unique dansyl-based chromogenic chemosensor for rapid and ultrasensitive hydrazine detection","J. Mater. Chem. B","2014","2","42","7344","","10.1039/C4TB01192A","","","0.71073","MOKα","","0.0791","0.0448","","","0.1041","0.1197","","","","","","1.039","","","","has coordinates","233403","2020-10-21","18:00:00",""
"7235897","15.2321","0.0011","6.7111","0.0005","33.287","0.002","90","","90","","90","","3402.7","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 F N3 O2 -","- C21 H14 F N3 O2 -","- C168 H112 F8 N24 O16 -","8","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Grigoryan, Tatevik; Villinger, Alexander; Langer, Peter","Synthesis of 4-quinolones, benzopyran derivatives and other fused systems based on the domino ANRORC reactions of (ortho-fluoro)-3-benzoylchromones","RSC Advances","2015","5","36","28717","","10.1039/C5RA02978C","","","0.71073","MoKα","","0.0771","0.0441","","","0.1034","0.1196","","","","","","1.04","","","","has coordinates,has disorder","233742","2020-10-21","18:00:00",""
"7235931","7.734","0.001","20.297","0.003","26.738","0.003","90","","90","","90","","4197.3","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl N O2 -","- C26 H18 Cl N O2 -","- C208 H144 Cl8 N8 O16 -","8","1","","Zhang, Jungui; Yao, Juan; Liu, Jiaming; Xue, Shuwen; Li, Yang; Wang, Cunde","Four-component reaction between naphthols, substituted β-nitrostyrenes, substituted benzaldehydes and ammonium acetate in water‒PEG-400: an approach to construct polysubstituted naphthofuranamines","RSC Advances","2015","5","60","48580","","10.1039/C5RA07642K","","","0.71073","MoKα","","0.1836","0.0792","","","0.1959","0.2321","","","","","","1.249","","","","has coordinates","233763","2020-10-21","18:00:00",""
"7235932","9.9831","0.0018","19.432","0.004","30.421","0.005","90","","90","","90","","5901.4","1.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18.5 N2 O -","- C17 H18 N2 O -","- C272 H288 N32 O16 -","16","2","","Majumdar, Swapan; Chakraborty, Mithun; Pramanik, Nabyendu; Maiti, Dilip K.","Grindstone chemistry: protic ionic liquid-substrate tuned green synthesis of 1,2-disubstituted and 2-substituted benzimidazoles with outstanding selectivity","RSC Advances","2015","5","63","51012","","10.1039/C5RA08183A","","","0.71073","MoKα","","0.0744","0.0532","","","0.0786","0.081","","","","","","2.524","","","","has coordinates","233764","2020-10-21","18:00:00",""
"7235958","12.4185","0.0004","19.1948","0.0007","24.2024","0.0009","90","","90","","90","","5769.1","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 N3 O8 Si -","- C30 H31 N3 O8 Si -","- C240 H248 N24 O64 Si8 -","8","1","","Wang, Biao; Leng, Hai-Jun; Yang, Xue-Yuan; Han, Bo; Rao, Chao-Long; Liu, Li; Peng, Cheng; Huang, Wei","Efficient synthesis of tetrahydronaphthalene- or isochroman-fused spirooxindoles using tandem reactions","RSC Advances","2015","5","107","88272","","10.1039/C5RA15735H","","","0.71073","MoKα","","0.0902","0.0519","","","0.1343","0.1567","","","","","","1.028","","","","has coordinates","233786","2020-10-21","18:00:00",""
"7235970","17.6138","0.0003","17.4519","0.0003","19.6556","0.0005","90","","90","","90","","6042","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49.2 H76.4 Cl2 N4 Ni4 O30 -","- C49.2 H72.8 Cl2 N4 Ni4 O30 -","- C196.8 H291.2 Cl8 N16 Ni16 O120 -","4","0.5","","Giri, Gopal C.; Patra, Ayan; Vijaykumar, Gonela; Carrella, Luca; Bera, Manindranath","Hydrolytically active tetranuclear [NiII2]2 complexes: synthesis, structure, spectroscopy and phosphoester hydrolysis","RSC Advances","2015","5","120","99270","","10.1039/C5RA16555E","","","1.54184","CuKα","","0.0637","0.0587","","","0.1609","0.1673","","","","","","1.046","","","","has coordinates,has disorder","233796","2020-10-21","18:00:00",""
"7236008","6.6494","0.0002","9.5276","0.0004","32.1006","0.0013","90","","90","","90","","2033.66","0.13","296","2","296","2","","","","","","","Synthesised","6","P b c a","-P 2ac 2ab","61","3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione","3-(4-fluorophenyl)-4-hydroxythiazolidine-2-thione","","- C9 H8 F N O S2 -","- C9 H8 F N O S2 -","- C72 H64 F8 N8 O8 S16 -","8","1","","Kumar, Sundaravel Vivek; Muthusubramanian, Shanmugam; Perumal, Subbu","A solvent- and catalyst-free domino reaction for the efficient synthesis of 3-arylthiazolidine-2-thiones under microwave irradiation","RSC Advances","2015","5","110","90451","","10.1039/C5RA19112B","","","0.71073","MoKα","","0.0501","0.0467","","","0.1577","0.1629","","","","","","1.014","","","","has coordinates","233828","2020-10-21","18:00:00",""
"7236031","11.1864","0.0004","21.2415","0.0007","25.3894","0.0009","90","","90","","90","","6032.9","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Fe(3-hydroxybenzoic hydroxamate)3]","","","- C27 H30 Fe N3 O11 -","- C27 H30 Fe N3 O11 -","- C216 H240 Fe8 N24 O88 -","8","1","","Orlowska, Ewelina; Roller, Alexander; Wiesinger, Hubert; Pignitter, Marc; Jirsa, Franz; Krachler, Regina; Kandioller, Wolfgang; Keppler, Bernhard K.","Benzoic hydroxamate-based iron complexes as model compounds for humic substances: synthesis, characterization and algal growth experiments","RSC Advances","2016","6","46","40238","","10.1039/C5RA25256C","","","0.71073","MoKα","","0.0642","0.048","","","0.1104","0.1162","","","","","","1.074","","","","has coordinates","233852","2020-10-21","18:00:00",""
"7236160","14.0408","0.0005","7.0121","0.0002","18.5908","0.0006","90","","90","","90","","1830.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0318","0.0256","","","0.0641","0.0681","","","","","","1.08","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236262","16.674","0.0004","15.927","0.0003","19.1977","0.0004","90","","90","","90","","5098.27","0.19","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Mo8 N8 O26 Zn2 -","- C36 H36 Mo8 N8 O26 Zn2 -","- C144 H144 Mo32 N32 O104 Zn8 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.0291","0.0214","","","0.0472","0.0495","","","","","","1.055","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236263","16.7082","0.0003","15.9095","0.0003","19.2987","0.0003","90","","90","","90","","5129.96","0.16","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Co2 Mo8 N8 O26 -","- C36 H36 Co2 Mo8 N8 O26 -","- C144 H144 Co8 Mo32 N32 O104 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.034","0.0237","","","0.0508","0.0547","","","","","","1.057","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236267","16.876","0.0003","15.908","0.0003","18.9788","0.0003","90","","90","","90","","5095.11","0.15","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cu2 Mo8 N8 O26 -","- C36 H36 Cu2 Mo8 N8 O26 -","- C144 H144 Cu8 Mo32 N32 O104 -","4","0.5","","Gong, Chunhua; Zeng, Xianghua; Zhu, Chengfeng; Shu, Jiahui; Xiao, Pingxiu; Xu, Hao; Liu, Lichun; Zhang, Junyong; Zeng, Qingdao; Xie, Jingli","A series of organic‒inorganic hybrid materials consisting of flexible organic amine modified polyoxomolybdates: synthesis, structures and properties","RSC Advances","2016","6","108","106248","","10.1039/C6RA21603J","","","0.71073","MoKα","","0.0386","0.026","","","0.0521","0.0582","","","","","","1.051","","","","has coordinates","235331","2020-10-21","18:00:00",""
"7236293","9.5612","0.0002","23.4614","0.0004","46.6024","0.001","90","","90","","90","","10453.8","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","SFX-TCz","2, 2?, 7, 7?-Tetrakis (N, N- carbazolo) - spiro (fluorene-9, 9?-xanthene)","","- C73 H44 N4 O -","- C73 H44 N4 O -","- C584 H352 N32 O8 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","","0.71073","MoKα","","0.1404","0.0916","","","0.2309","0.2673","","","","","","1.039","","","","has coordinates,has disorder","235378","2020-10-21","18:00:00",""
"7236304","6.43139","0.00019","16.4647","0.0004","16.8638","0.0005","90","","90","","90","","1785.72","0.09","99.4","","99.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N9 O6 -","- C2 H5 N9 O6 -","- C16 H40 N72 O48 -","8","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.04","0.0333","","","0.0772","0.0808","","","","","","1.034","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236337","10.131","0.002","19.071","0.004","20.791","0.004","90","","90","","90","","4017","1.4","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Co N7 O6 -","- C18 H11 Co N7 O6 -","- C144 H88 Co8 N56 O48 -","8","1","","Han, Xiao; Chen, Wen-Miao; Han, Xiguang; Tan, Yuan-Zhi; Sun, Di","Nitrogen-rich MOF derived porous Co3O4/N‒C composites with superior performance in lithium-ion batteries","Journal of Materials Chemistry A","2016","4","34","13040","","10.1039/C6TA05096D","","","0.71","MoKα","","0.0577","0.037","","","0.0836","0.0933","","","","","","1.039","","","","has coordinates","235416","2020-10-21","18:00:00",""
"7236403","9.9081","0.0008","10.2255","0.0007","21.181","0.006","90","","90","","90","","2146","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N6 O5 -","- C8 H6 N6 O5 -","- C64 H48 N48 O40 -","8","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0878","0.0531","","","0.1148","0.1419","","","","","","1.06","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236466","15.0499","0.0002","7.55959","0.0001","19.0308","0.0003","90","","90","","90","","2165.15","0.05","183","1","183","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(pentafluorophenyl)dichloro-gold(iii)","","- C10 H9 Au Cl2 N2 -","- C10 H9 Au Cl2 N2 -","- C80 H72 Au8 Cl16 N16 -","8","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue–blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","","0.71073","MoKα","","0.0279","0.0219","","","0.054","0.0577","","","","","","1.091","","","","has coordinates","288465","2023-12-21","08:39:28",""
"7236473","10.1622","0.0002","14.9458","0.0004","22.776","0.0006","90","","90","","90","","3459.27","0.15","183","1","183","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(9,9-dimethyl-9H-fluoren-1-yl)-3-methyl-2,3-dihydro-1H-imidazol-2-ylium iodide","","- C19 H19 I N2 -","- C19 H19 I N2 -","- C152 H152 I8 N16 -","8","1","","von Arx, Tobias; Szentkuti, Alexander; Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik","Stable N-heterocyclic carbene (NHC) cyclometalated (C^C) gold(iii) complexes as blue‒blue green phosphorescence emitters","Journal of Materials Chemistry C","2017","5","15","3765","","10.1039/C6TC05551F","","x-ray","0.71073","MoKα","","0.0347","0.0292","","","0.0784","0.0818","","","","","","1.051","","","","has coordinates","235561","2020-10-21","18:00:00",""
"7236491","13.068","0.002","8.854","0.002","18.676","0.004","90","","90","","90","","2160.9","0.7","353","2","353","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0794","0.0628","","","0.1828","0.2155","","","","","","1.043","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236492","13.3332","0.0004","8.7654","0.0002","17.6823","0.0005","90","","90","","90","","2066.55","0.1","296","2","296","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0367","0.0267","","","0.0735","0.0802","","","","","","1.026","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236509","12.2353","0.001","13.7645","0.0013","28.3482","0.0018","90","","90","","90","","4774.2","0.7","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H26 F5 N O2 Pt S -","- C22 H26 F5 N O2 Pt S -","- C176 H208 F40 N8 O16 Pt8 S8 -","8","1","","Henwood, Adam F.; Webster, James; Cordes, David; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli","Phosphorescent platinum(ii) complexes bearing pentafluorosulfanyl substituted cyclometalating ligands","RSC Advances","2017","7","41","25566","","10.1039/C7RA03190D","","","0.71075","MoKα","","0.0253","0.0167","","","0.0304","0.0328","","","","","","1.072","","","","has coordinates","236242","2020-10-21","18:00:00",""
"7236523","13.5909","0.0016","15.3382","0.0018","19.411","0.002","90","","90","","90","","4046.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O5 Zn -","- C22 H20 N2 O5 Zn -","- C176 H160 N16 O40 Zn8 -","8","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.1146","0.0457","","","0.0914","0.1153","","","","","","0.987","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236552","7.9719","0.0003","7.8194","0.0003","38.2632","0.0016","90","","90","","90","","2385.15","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","","Gong, Le Le; Yao, Wan Ting; Liu, Zhi Qiang; Zheng, An Min; Li, Jian Qiang; Feng, Xue Feng; Ma, Lu Fang; Yan, Chang Sheng; Luo, Ming Biao; Luo, Feng","Photoswitching storage of guest molecules in metal‒organic framework for photoswitchable catalysis: exceptional product, ultrahigh photocontrol, and photomodulated size selectivity","Journal of Materials Chemistry A","2017","5","17","7961","","10.1039/C7TA01388D","","","0.71073","MoKα","","0.1074","0.074","","","0.2361","0.278","","","","","","1.046","","","","has coordinates","236303","2020-10-21","18:00:00",""
"7236570","11.5408","0.0008","11.6206","0.0008","18.3621","0.0012","90","","90","","90","","2462.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N11 O5 -","- C8 H3 N11 O5 -","- C64 H24 N88 O40 -","8","1","","Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming","Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability","Journal of Materials Chemistry A","2017","5","22","11063","","10.1039/C7TA02209C","","","0.71073","MoKα","","0.1102","0.0607","","","0.1218","0.143","","","","","","1.061","","","","has coordinates","236314","2020-10-21","18:00:00",""
"7236595","14.185","0.002","10.6148","0.0016","30.936","0.005","90","","90","","90","","4658.1","1.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B10 N4 -","- C14 H36 B10 N4 -","- C112 H288 B80 N32 -","8","1","","Jiao, Nianming; Zhang, Yanqiang; Liu, Long; Shreeve, Jean'ne M.; Zhang, Suojiang","Hypergolic fuels based on water-stable borohydride cluster anions with ultralow ignition delay times","Journal of Materials Chemistry A","2017","5","26","13341","","10.1039/C7TA04038E","","","0.71073","MoKα","","0.0648","0.0594","","","0.1602","0.1653","","","","","","1.003","","","","has coordinates,has disorder","236339","2020-10-21","18:00:00",""
"7236684","14.468","0.004","13.931","0.004","22.74","0.007","90","","90","","90","","4583","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cd I2 N8 -","- C18 H20 Cd I2 N8 -","- C144 H160 Cd8 I16 N64 -","8","1","","Cheng, Yue; Wu, Jie; Guo, Chao; Li, Xin-Ge; Ding, Bin; Li, Yan","A facile water-stable MOF-based “off‒on” fluorescent switch for label-free detection of dopamine in biological fluid","Journal of Materials Chemistry B","2017","5","13","2524","","10.1039/C7TB00099E","","","0.71073","MoKα","","0.0229","0.0177","","","0.0368","0.0392","","","","","","1.07","","","","has coordinates","236423","2020-10-21","18:00:00",""
"7236710","7.88168","0.0001","7.13603","0.0001","35.6666","0.0009","90","","90","","90","","2006.03","0.06","274","","274","","","","","","","","","5","P b c a","-P 2ac 2ab","61","dph-TIIG","Diphenylthienoisoindigo","","- C24 H14 N2 O2 S2 -","- C24 H14 N2 O2 S2 -","- C96 H56 N8 O8 S8 -","4","0.5","","Yoo, Dongho; Hasegawa, Tsukasa; Ashizawa, Minoru; Kawamoto, Tadashi; Masunaga, Hiroyasu; Hikima, Takaaki; Matsumoto, Hidetoshi; Mori, Takehiko","N-Unsubstituted thienoisoindigos: preparation, molecular packing and ambipolar organic field-effect transistors","Journal of Materials Chemistry C","2017","5","10","2509","","10.1039/C7TC00327G","","","1.54187","CuKα","","","0.0651","","","","0.1838","","","","","","1.023","","","","has coordinates","236458","2020-10-21","18:00:00",""
"7236740","9.2915","0.0001","19.1222","0.0003","24.9136","0.0004","90","","90","","90","","4426.5","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF6","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-methylphenol","","- C24 H19 Cl N2 O S2 -","- C24 H19 Cl N2 O S2 -","- C192 H152 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0393","0.0366","","","0.1009","0.1037","","","","","","1.043","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236744","20.1226","0.0005","9.5608","0.0004","22.8331","0.0008","90","","90","","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF14","2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-6-methoxyphenol","","- C24 H19 Cl N2 O2 S2 -","- C24 H19 Cl N2 O2 S2 -","- C192 H152 Cl8 N16 O16 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0617","0.0566","","","0.164","0.1705","","","","","","1.021","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236747","9.2883","0.0002","19.0608","0.0003","24.5265","0.0005","90","","90","","90","","4342.23","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BF18","4-amino-2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H18 Cl N3 O S2 -","- C23 H18 Cl N3 O S2 -","- C184 H144 Cl8 N24 O8 S16 -","8","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0606","0.0547","","","0.1614","0.1691","","","","","","1.063","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236752","17.1058","0.0011","7.6742","0.0004","36.409","0.003","90","","90","","90","","4779.5","0.6","103.6","","103.6","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H23 N -","- C36 H23 N -","- C288 H184 N8 -","8","1","","Cai, Minghan; Song, Xiaozeng; Zhang, Dongdong; Qiao, Juan; Duan, Lian","π‒π stacking: a strategy to improve the electron mobilities of bipolar hosts for TADF and phosphorescent devices with low efficiency roll-off","Journal of Materials Chemistry C","2017","5","13","3372","","10.1039/C7TC00733G","","","0.7107","MoKα","","0.0767","0.0595","","","0.116","0.1256","","","","","","1.09","","","","has coordinates","236481","2020-10-21","18:00:00",""
"7236774","27.082","0.003","18.0169","0.0019","29.236","0.003","90","","90","","90","","14265","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 N4 O Pt -","- C42 H34 N4 O Pt -","- C672 H544 N64 O16 Pt16 -","16","2","","Li, Jing; Liang, Feng; Zhao, Yue; Liu, Xiang-Yang; Fan, Jian; Liao, Liang-Sheng","Highly phosphorescent cyclometalated platinum(ii) complexes based on 2-phenylbenzimidazole-containing ligands","Journal of Materials Chemistry C","2017","5","25","6202","","10.1039/C7TC01369H","","","0.71073","MoKα","","0.0828","0.043","","","0.0877","0.1024","","","","","","1.019","","","","has coordinates","236505","2020-10-21","18:00:00",""
"7236793","8.4888","0.0004","16.5462","0.0007","32.8121","0.0014","90","","90","","90","","4608.7","0.4","373","2","373","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H36 B N -","- C28 H36 B N -","- C224 H288 B8 N8 -","8","1","","Sudhakar, Pagidi; Neena, Kalluvettukuzhy K.; Thilagar, Pakkirisamy","H-Bond assisted mechanoluminescence of borylated aryl amines: tunable emission and polymorphism","Journal of Materials Chemistry C","2017","5","26","6537","","10.1039/C7TC01676J","","","0.71073","MoKα","","0.073","0.0473","","","0.1031","0.1113","","","","","","1.019","","","","has coordinates","236518","2020-10-21","18:00:00",""
"7236825","18.8657","0.0014","7.6482","0.0004","31.436","0.002","90","","90","","90","","4535.9","0.5","200","2","200","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","TBH","","- C38 H20 -","- C38 H20 -","- C304 H160 -","8","1","","Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai","Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors","Journal of Materials Chemistry C","2017","5","31","7935","","10.1039/C7TC02254A","","","0.71073","MoKα","","0.1293","0.0554","","","0.1369","0.1865","","","","","","0.975","","","","has coordinates","236550","2020-10-21","18:00:00",""
"7236846","10.82841","0.00014","7.84591","0.0001","20.9791","0.0003","90","","90","","90","","1782.36","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMO","(Z)-4-benzylidene-2-methyloxazol-5(4H)-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","1","","Jiang, Meijuan; He, Zikai; Zhang, Yilin; Sung, Herman H. Y.; Lam, Jacky W. Y.; Peng, Qian; Yan, Yongli; Wong, Kam Sing; Williams, Ian D.; Zhao, Yongsheng; Tang, Ben Zhong","Development of benzylidene-methyloxazolone based AIEgens and decipherment of their working mechanism","Journal of Materials Chemistry C","2017","5","29","7191","","10.1039/C7TC02582C","","x-ray","1.5418","CuKα","","0.0315","0.0301","","","0.0807","0.0817","","","","","","1.003","","","","has coordinates","236570","2020-10-21","18:00:00",""
"7236853","10.288","0.0004","20.7225","0.0007","15.8015","0.0006","90","","90","","90","","3368.8","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C128 H160 B80 -","8","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.0602","0.05","","","0.1462","0.1792","","","","","","1.149","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236868","10.0411","0.001","8.7472","0.0008","12.2267","0.0011","90","","90","","90","","1073.89","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 Ca Na2 O6 -","- C2 Ca Na2 O6 -","- C16 Ca8 Na16 O48 -","8","1","","Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning","Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system","Journal of Materials Chemistry C","2017","5","34","8758","","10.1039/C7TC02789C","","","0.71073","MoKα","","0.0791","0.0492","","","0.1569","0.1774","","","","","","1.108","","","","has coordinates","236587","2020-10-21","18:00:00",""
"7236871","32.967","0.009","8.079","0.004","6.986","0.003","90","","90","","90","","1860.7","1.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 O2 S4 -","- C14 H18 N2 O2 S4 -","- C56 H72 N8 O8 S16 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0505","","","","0.1778","","","","","","1.012","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7236874","23.646","0.009","7.94","0.005","7.2","0.004","90","","90","","90","","1351.8","1.2","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko","Birhodanines and their sulfur analogues for air-stable n-channel organic transistors","Journal of Materials Chemistry C","2017","5","35","9121","","10.1039/C7TC02886E","","","0.71069","MoKα","","","0.0439","","","","0.1049","","","","","","1.003","","","","has coordinates","236592","2020-10-21","18:00:00",""
"7237038","12.6401","0.0002","8.67732","0.00018","13.7311","0.0003","90","","90","","90","","1506.06","0.05","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 S6 -","- C14 H10 S6 -","- C56 H40 S24 -","4","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0567","0.0515","","","0.1362","0.1401","","","","","","1.053","","","","has coordinates","236729","2020-10-21","18:00:00",""
"7237071","10.87","0.004","9.528","0.003","12.575","0.005","90","","90","","90","","1302.4","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C32 H56 B8 F32 N8 -","4","0.5","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0686","0.0558","","","0.1595","0.1745","","","","","","1.047","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237093","11.472","0.009","17.116","0.013","18.24","0.014","90","","90","","90","","3582","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Br O3 P -","- C19 H16 Br O3 P -","- C152 H128 Br8 O24 P8 -","8","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.1216","0.0705","","","0.1681","0.1873","","","","","","1.064","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237126","10.2283","0.001","10.967","0.0012","16.3177","0.0015","90","","90","","90","","1830.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,3-di-1,tetrazolyl-propane monohydrate","1,3-di-1,tetrazolyl-propane monohydrate","","- C5 H10 N8 O -","- C5 H10 N8 O -","- C40 H80 N64 O8 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.04","0.0301","","","0.0716","0.0772","","","","","","1.045","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237202","14.7957","0.0005","15.5641","0.0005","18.4453","0.0006","90","","90","","90","","4247.6","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZIF-4-Co","","- C7.5 H9.5 Co N4.5 O0.5 -","- C7.5 H9.5 Co N4.5 O0.5 -","- C120 H152 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0532","0.0415","","","0.1105","0.122","","","","","","1.044","","","","has coordinates","237482","2020-10-21","18:00:00",""
"7237203","15.4567","0.0008","15.5793","0.0008","18.134","0.0008","90","","90","","90","","4366.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ZIF-62-Zn-bim0.35","","- C7 H6.5 N4 Zn -","- C7 H6.5 N4 Zn -","- C112 H104 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0772","0.0512","","","0.1267","0.1411","","","","","","1.02","","","","has coordinates,has disorder","237482","2020-10-21","18:00:00",""
"7237204","15.4329","0.0012","15.6983","0.0009","18.131","0.0012","90","","90","","90","","4392.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ZIF-62-Co-bim0.30","","- C7 H6.5 Co N4 -","- C7 H6.5 Co N4 -","- C112 H104 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0925","0.0551","","","0.1317","0.1615","","","","","","1.027","","","","has coordinates,has disorder","237482","2020-10-21","18:00:00",""
"7237205","15.6595","0.0005","14.6464","0.0004","18.389","0.0007","90","","90","","90","","4217.6","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZIF-4-Zn","","- C7.5 H9.5 N4.5 O0.5 Zn -","- C7.5 H9.5 N4.5 O0.5 Zn -","- C120 H152 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0369","0.0282","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates","237482","2020-10-21","18:00:00",""
"7237289","22.1509","0.0001","16.0378","0.0001","27.6728","0.0001","90","","90","","90","","9830.81","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H40 Eu N8 O17 -","- C45 H40 Eu N8 O17 -","- C360 H320 Eu8 N64 O136 -","8","1","","Liao, Wei-Ming; Li, Chao-Jie; Wu, Xiangwen; Zhang, Jian-Hua; Wang, Zheng; Wang, Hai-Ping; Fan, Ya-Nan; Pan, Mei; Su, Cheng-Yong","Homometallic Ln(iii)-complexes from an ILCT ligand with sensitized vis-NIR emission, excitation-dependent PL color tuning and white-light emission","Journal of Materials Chemistry C","2018","6","13","3254","","10.1039/C8TC00458G","","","1.54178","CuKα","","0.0588","0.053","","","0.1507","0.1545","","","","","","1.144","","","","has coordinates,has disorder","237560","2020-10-21","18:00:00",""
"7237293","11.0823","0.0006","8.2233","0.0004","42.789","0.002","90","","90","","90","","3899.5","0.3","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C224 H160 -","8","1","","Liu, Dan; Li, Jie; Liu, Jie; Lu, Xiuqiang; Hu, Mengxiao; Li, Yang; Shu, Zhibin; Ni, Zhenjie; Ding, Shang; Jiang, Lang; Zhen, Yonggang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A new organic compound of 2-(2,2-diphenylethenyl)anthracene (DPEA) showing simultaneous electrical charge transport property and AIE optical characteristics","Journal of Materials Chemistry C","2018","6","15","3856","","10.1039/C8TC00763B","","","0.71073","MoKα","","0.0901","0.0752","","","0.1717","0.1817","","","","","","1.186","","","","has coordinates","237565","2020-10-21","18:00:00",""
"7237320","8.1153","0.0005","17.5146","0.0011","36.762","0.002","90","","90","","90","","5225.2","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H20 F4 N2 -","- C36 H20 F4 N2 -","- C288 H160 F32 N16 -","8","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D‒σ‒A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1134","0.0842","","","0.1618","0.1707","","","","","","1.286","","","","has coordinates","237591","2020-10-21","18:00:00",""
"7237333","19.964","0.002","13.6664","0.0014","20.645","0.002","90","","90","","90","","5632.7","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H22 N4 O -","- C37 H22 N4 O -","- C296 H176 N32 O8 -","8","1","","Chen, Zhanxiang; Wu, Zhongbin; Ni, Fan; Zhong, Cheng; Zeng, Weixuan; Wei, Danqing; An, Kebin; Ma, Dongge; Yang, Chuluo","Emitters with a pyridine-3,5-dicarbonitrile core and short delayed fluorescence lifetimes of about 1.5 μs: orange-red TADF-based OLEDs with very slow efficiency roll-offs at high luminance","Journal of Materials Chemistry C","2018","6","24","6543","","10.1039/C8TC01698D","","","0.71073","MoKα","","0.1096","0.0524","","","0.1186","0.1496","","","","","","0.978","","","","has coordinates","237606","2020-10-21","18:00:00",""
"7237368","15.923","0.003","20.416","0.004","24.5","0.005","90","","90","","90","","7965","3","190","1","190","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cluster-1","","- C86 H72 N6 Nd2 O24 Zn2 -","- C86 H72 N6 Nd2 O24 Zn2 -","- C344 H288 N24 Nd8 O96 Zn8 -","4","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1211","0.0781","","","0.2313","0.2839","","","","","","1.097","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237399","13.7631","0.0007","11.4154","0.0009","34.944","0.004","90","","90","","90","","5490.1","0.8","295.9","0.8","295.9","0.8","","","","","","","","3","P b c a","-P 2ac 2ab","61","","AmT","","- C36 H28 N4 -","- C36 H28 N4 -","- C288 H224 N32 -","8","1","","Jeong, Seongjin; Lee, Youngnam; Kim, Joon Ki; Jang, Du-Jeon; Hong, Jong-In","Non-doped thermally activated delayed fluorescent organic light-emitting diodes using an intra- and intermolecular exciplex system with a meta-linked acridine‒triazine conjugate","Journal of Materials Chemistry C","2018","6","34","9049","","10.1039/C8TC02590H","","x-ray","1.54184","CuKα","","0.0692","0.0438","","","0.1099","0.1273","","","","","","1.0184","","","","has coordinates","237644","2020-10-21","18:00:00",""
"7237400","17.1418","0.0011","8.1149","0.0007","45.495","0.005","90","","90","","90","","6328.5","1","294.17","0.1","294.17","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","AmmT","","- C42 H32 N4 -","- C42 H32 N4 -","- C336 H256 N32 -","8","1","","Jeong, Seongjin; Lee, Youngnam; Kim, Joon Ki; Jang, Du-Jeon; Hong, Jong-In","Non-doped thermally activated delayed fluorescent organic light-emitting diodes using an intra- and intermolecular exciplex system with a meta-linked acridine‒triazine conjugate","Journal of Materials Chemistry C","2018","6","34","9049","","10.1039/C8TC02590H","","x-ray","1.54184","CuKα","","0.1526","0.0772","","","0.1829","0.2467","","","","","","0.967","","","","has coordinates","237644","2020-10-21","18:00:00",""
"7237402","9.2899","0.0003","19.4917","0.0007","31.1683","0.0011","90","","90","","90","","5643.8","0.3","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12.5 F2 S -","- C18 H12 F2 S -","- C288 H192 F32 S16 -","16","2","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Chen, Xiaojie; Yang, Zhan; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Design, synthesis and photochromism studies of thienyl containing triarylethylene derivatives and their applications in real-time photoresponsive surfaces","Journal of Materials Chemistry C","2018","6","32","8832","","10.1039/C8TC02698J","","x-ray","1.54184","CuKα","","0.0845","0.0652","","","0.2092","0.2803","","","","","","1.147","","","","has coordinates","237648","2020-10-21","18:00:00",""
"7237409","16.3593","0.001","20.1565","0.0012","26.5917","0.0017","90","","90","","90","","8768.5","0.9","123","","123","","","","","","","","Murat Alkan","7","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cu F6 N2 O2 P3 -","- C48 H40 Cu F6 N2 O2 P3 -","- C384 H320 Cu8 F48 N16 O16 P24 -","8","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0453","0.0397","","0.0991","0.0964","0.0991","","","","","","0.9818","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237426","19.822","0.003","7.252","0.001","21.178","0.003","90","","90","","90","","3044.3","0.8","292","1","292","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C128 H128 Br8 N8 O32 -","8","1","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0561","0.035","","","0.09","0.101","","","","","","1.012","","","","has coordinates","237663","2020-10-21","18:00:00",""
"7237461","15.959","0.002","7.57","0.001","22.195","0.001","90","","90","","90","","2681.4","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N -","- C17 H19 N -","- C136 H152 N8 -","8","1","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.1086","0.0609","","","0.1412","0.1649","","","","","","0.971","","","","has coordinates","237680","2020-10-21","18:00:00",""
"7237519","15.094","0.0006","15.633","0.0006","33.864","0.0015","90","","90","","90","","7990.7","0.6","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H24 F10 Ir N8 P -","- C38 H24 F10 Ir N8 P -","- C304 H192 F80 Ir8 N64 P8 -","8","1","","Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin","New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence","Journal of Materials Chemistry C","2018","6","45","12217","","10.1039/C8TC04512G","","","0.71069","MoKα","","0.0384","0.0265","","","0.0652","0.0698","","","","","","1.05","","","","has coordinates","237742","2020-10-21","18:00:00",""
"7237527","7.596","0.002","17.727","0.002","24.21","0.003","90","","90","","90","","3260","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 O S6 -","- C15 H10 O S6 -","- C120 H80 O8 S48 -","8","1","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","0.71073","MoKα","","0.1761","0.0745","","","0.1269","0.1576","","","","","","1.075","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237568","16.274","0.005","10.787","0.003","24.384","0.008","90","","90","","90","","4281","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H50 N2 O26 Zn3 -","- C32 H12 O18 Zn3 -","- C128 H48 O72 Zn12 -","4","0.5","","Li, Huijun; Li, Qingqing; Xu, Zhouqing","Lanthanide cation encapsulated in a metal‒organic framework as a white LED and selective naked-eye reversible HCl sensor","Journal of Materials Chemistry C","2019","7","10","2880","","10.1039/C8TC05956J","","","0.71073","MoKα","","0.0896","0.0427","","","0.0968","0.1092","","","","","","0.776","","","","has coordinates","237779","2020-10-21","18:00:00",""
"7237616","13.0734","0.0004","12.6281","0.0003","20.3826","0.0005","90","","90","","90","","3365.01","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C152 H152 B8 F16 N16 -","8","1","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0623","0.0455","","","0.1189","0.1327","","","","","","1.055","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237625","7.338","0.002","12.605","0.004","19.886","0.006","90","","90","","90","","1839.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C96 H48 F32 -","8","1","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.1104","0.0744","","","0.1771","0.2235","","","","","","1.18","","","","has coordinates","237815","2020-10-21","18:00:00",""
"7237668","11.545","0.004","10.663","0.003","13.185","0.004","90","","90","","90","","1623.1","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De","High density assembly of energetic molecules under the constraint of defected 2D materials","Journal of Materials Chemistry A","2019","7","30","17806","","10.1039/C9TA03990B","","","0.71073","MoKα","","0.0416","0.0357","","","0.1029","0.1084","","","","","","1.108","","","","has coordinates","238491","2020-10-21","18:00:00",""
"7237673","12.41","0.002","9.959","0.0019","16.305","0.003","90","","90","","90","","2015.2","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 Cl N6 O8 -","- C4 H7 Cl N6 O8 -","- C32 H56 Cl8 N48 O64 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0685","0.0456","","","0.1001","0.1124","","","","","","1.045","","","","has coordinates","238497","2020-10-21","18:00:00",""
"7237674","11.239","0.003","11.869","0.003","13.511","0.003","90","","90","","90","","1802.3","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N7 O7 -","- C4 H7 N7 O7 -","- C32 H56 N56 O56 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0625","0.0447","","","0.1137","0.1268","","","","","","1.042","","","","has coordinates","238497","2020-10-21","18:00:00",""
"7237836","15.764","0.003","11.846","0.002","22.623","0.004","90","","90","","90","","4224.6","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F5 N2 O Pt -","- C24 H13 F5 N2 O Pt -","- C192 H104 F40 N16 O8 Pt8 -","8","1","","Lin, Shengheng; Pan, Honghao; Li, Lin; Liao, Rui; Yu, Shengzhen; Zhao, Qiang; Sun, Huibin; Huang, Wei","AIPE-active platinum(ii) complexes with tunable photophysical properties and their application in constructing thermosensitive probes used for intracellular temperature imaging","Journal of Materials Chemistry C","2019","7","26","7893","","10.1039/C9TC01905G","","","0.71073","MoKα","","0.0519","0.0282","","","0.0649","0.076","","","","","","0.975","","","","has coordinates","238659","2020-10-21","18:00:00",""
"7237938","13.173","0.004","13.212","0.004","17.216","0.005","90","","90","","90","","2996.3","1.6","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C152 H104 F16 N8 O8 -","8","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0948","0.0453","","","0.0993","0.1206","","","","","","1.014","","","","has coordinates,has disorder","238761","2020-10-21","18:00:00",""
"7237945","16.8177","0.0009","11.9953","0.0007","25.5307","0.0015","90","","90","","90","","5150.4","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 Cl2 N3 O2 Pd -","- C26 H29 Cl2 N3 O2 Pd -","- C208 H232 Cl16 N24 O16 Pd8 -","8","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer","Lamellar columnar liquid-crystalline mesophases as a 2D platform for anhydrous proton conduction","Journal of Materials Chemistry C","2019","7","33","10318","","10.1039/C9TC03627J","","","0.71073","MoKα","","0.1062","0.0509","","","0.1263","0.1808","","","","","","0.993","","","","has coordinates","238769","2020-10-21","18:00:00",""
"7237959","9.0788","0.0008","19.4903","0.0017","31.615","0.003","90","","90","","90","","5594.2","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Ir N3 O3 S -","- C29 H18 F6 Ir N3 O3 S -","- C232 H144 F48 Ir8 N24 O24 S8 -","8","1","","Zhang, Lin; Yan, Zhi-Ping; Tu, Zhen-Long; Wu, Zheng-Guang; Zheng, You-Xuan","Green-emitting iridium(iii) complexes containing pyridine sulfonic acid as ancillary ligands for efficient OLEDs with extremely low efficiency roll-off","Journal of Materials Chemistry C","2019","7","37","11606","","10.1039/C9TC03937F","","","0.71073","MoKα","","0.0785","0.0558","","","0.1084","0.1155","","","","","","1.177","","","","has coordinates","238792","2020-10-21","18:00:00",""
"7237979","11.3175","0.0005","14.386","0.0007","16.3305","0.0007","90","","90","","90","","2658.8","0.2","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C80 H80 S48 -","8","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0657","0.0568","","","0.1634","0.174","","","","","","1.1","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237996","8.4013","0.0003","8.2","0.0003","29.0071","0.0012","90","","90","","90","","1998.32","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Br4 N2 Pb S2 -","- C10 H22 Br4 N2 Pb S2 -","- C40 H88 Br16 N8 Pb4 S8 -","4","0.5","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0655","0.0433","","","0.0892","0.0965","","","","","","1.124","","","","has coordinates","238823","2020-10-21","18:00:00",""
"7237997","7.6733","0.0004","7.6733","0.0004","32.33","0.003","90","","90","","90","","1903.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2.67 H4.8 Cl1.07 N0.53 Pb0.27 S0.53 -","- C2.66667 H4.8 Cl1.06667 N0.533333 Pb0.266667 S0.533333 -","- C40 H72 Cl16 N8 Pb4 S8 -","15","1.875","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0374","0.0337","","","0.0707","0.0719","","","","","","1.195","","","","has coordinates","238823","2020-10-21","18:00:00",""
"7238000","8.81","0.002","8.678","0.0019","28.972","0.006","90","","90","","90","","2215","0.8","298","2","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10.71 H24.71 I4 N2 Pb S1.29 -","- C10.52 H18 I4 N2 Pb S1.48 -","- C42.08 H72 I16 N8 Pb4 S5.92 -","4","0.5","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","x-ray","0.71076","MoKα","","0.0889","0.062","","","0.1322","0.1412","","","","","","1.249","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7238004","12.5354","0.0008","14.1497","0.0009","35.992","0.002","90","","90","","90","","6384","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","PI33PPCz","","","- C45 H29 N3 -","- C45 H29 N3 -","- C360 H232 N24 -","8","1","","Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue","Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole‒phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices","Journal of Materials Chemistry C","2019","7","43","13486","","10.1039/C9TC04522H","","","0.71073","MoKα","","0.0876","0.0558","","","0.0978","0.1094","","","","","","1.07","","","","has coordinates","238828","2020-10-21","18:00:00",""
"7238060","13.077","0.007","14.235","0.006","23.698","0.01","90","","90","","90","","4411","4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H25 Cl4 N3 Ru S -","- C17 H25 Cl4 N3 Ru S -","- C136 H200 Cl32 N24 Ru8 S8 -","8","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.1343","0.0816","","","0.1567","0.1763","","","","","","1.082","","","","has coordinates,has disorder","243811","2020-10-21","18:00:00",""
"7238061","10.6918","0.0018","14.539","0.002","26.597","0.004","90","","90","","90","","4134.5","1.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl2 N3 Ru S -","- C18 H27 Cl2 N3 Ru S -","- C144 H216 Cl16 N24 Ru8 S8 -","8","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0426","0.0284","","","0.0563","0.061","","","","","","1.04","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7238092","8.904","0.001","9.266","0.001","24.261","0.003","90","","90","","90","","2001.6","0.4","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","","0.0277","","","","0.0738","","","","","","0.997","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238093","11.3793","0.0009","9.6944","0.0007","13.5323","0.001","90","","90","","90","","1492.82","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H4 Cu I N2 -","- C7 H4 Cu I N2 -","- C56 H32 Cu8 I8 N16 -","8","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0718","0.0636","","","0.1882","0.1949","","","","","","1.167","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238138","8.6036","0.001","12.7431","0.0015","14.4016","0.0016","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0468","0.0309","","","0.0784","0.085","","","","","","1.045","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238140","8.4446","0.0002","12.9028","0.0003","14.4186","0.0003","90","","90","","90","","1571.04","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1049","0.1086","","","","","","1.06","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238152","18.37","0.004","9.5403","0.0019","21.034","0.004","90","","90","","90","","3686.3","1.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Co N2 O4.25 -","- C21 H15 Co N2 O4.25 -","- C168 H120 Co8 N16 O34 -","8","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.162","0.0619","","","0.1107","0.1422","","","","","","0.939","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238223","6.914","0.002","7.476","0.003","9.563","0.001","90","","90","","90","","494.3","0.2","150","2","150","2","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1197","0.0554","","","0.0991","0.1159","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238243","22.0528","0.0018","6.3612","0.0005","24.693","0.002","90","","90","","90","","3464","0.5","115","2","115","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1184","","","","","","1.053","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238260","9.6804","0.0019","8.6933","0.0017","19.83","0.004","90","","90","","90","","1668.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Mn N10 O2 -","- C16 H12 Mn N10 O2 -","- C64 H48 Mn4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0632","0.0611","","","0.1001","0.1009","","","","","","1.336","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238261","9.5801","0.0019","8.4014","0.0017","20.163","0.004","90","","90","","90","","1622.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cu N10 O2 -","- C16 H12 Cu N10 O2 -","- C64 H48 Cu4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0894","0.0873","","","0.1354","0.1361","","","","","","1.39","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238287","11.181","0.002","8.5699","0.0017","41.84","0.008","90","","90","","90","","4009.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C200 H128 O24 S16 -","8","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1127","0.0418","","","0.1082","0.1612","","","","","","1.014","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238477","10.209","0.005","17.512","0.005","21.043","0.005","90","","90","","90","","3762","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H40 F6 N2 O8 Os2 S2 -","- C32 H40 F6 N2 O8 Os2 S2 -","- C128 H160 F24 N8 O32 Os8 S8 -","4","0.5","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71069","MoKα","","0.0788","0.0499","","","","0.222","","","","","","1.088","","","","has coordinates","244188","2020-10-21","18:00:00",""
"7238480","15.865","0.004","13.213","0.006","26.348","0.01","90","","90","","90","","5523","4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 Fe N2 O Pt S -","- C28 H28 Cl2 Fe N2 O Pt S -","- C224 H224 Cl16 Fe8 N16 O8 Pt8 S8 -","8","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.044","0.0414","","","0.1148","0.1174","","","","","","1.083","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238481","15.938","0.005","13.226","0.005","26.424","0.004","90","","90","","90","","5570","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 Fe N2 O Pd S -","- C28 H28 Cl2 Fe N2 O Pd S -","- C224 H224 Cl16 Fe8 N16 O8 Pd8 S8 -","8","1","","López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa","Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?","RSC Advances","2012","2","5","1986","","10.1039/c1ra01080h","","","0.71073","MoKα","","0.0761","0.0675","","","0.2041","0.2097","","","","","","1.082","","","","has coordinates","244189","2020-10-21","18:00:00",""
"7238490","10.3173","0.0014","7.4516","0.0012","26.221","0.004","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0712","0.053","","","0.1177","0.127","","","","","","1.046","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238549","10.7181","0.0013","17.865","0.003","41.906","0.004","90","","90","","90","","8024.1","1.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H35 F6 Ir N6 O0.5 P -","- C48 H35 F6 Ir N6 O0.5 P -","- C384 H280 F48 Ir8 N48 O4 P8 -","8","1","","Tordera, Daniel; Pertegás, Antonio; Shavaleev, Nail M.; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Grätzel, Michael; Nazeeruddin, Mohammad K.","Efficient orange light-emitting electrochemical cells","Journal of Materials Chemistry","2012","22","36","19264","","10.1039/c2jm33969b","","","0.71073","MoKα","","0.0552","0.0441","","","0.0777","0.0814","","","","","","1.174","","","","has coordinates","244227","2020-10-21","18:00:00",""
"7238555","14.853","0.003","22.747","0.003","25.64","0.004","90","","90","","90","","8663","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H40 N10 -","- C52 H40 N10 -","- C416 H320 N80 -","8","1","","Takase, Masayoshi; Yoshida, Naofumi; Narita, Tomoyuki; Fujio, Takashi; Nishinaga, Tohru; Iyoda, Masahiko","Sterically congested pyrrole-fused tetrathiafulvalene decamers as highly conductive amorphous molecular materials","RSC Advances","2012","2","8","3221","","10.1039/c2ra00035k","","","0.71073","MoKα","","0.0686","0.0431","","","0.1172","0.143","","","","","","1.035","","","","has coordinates","244230","2020-10-21","18:00:00",""
"7238576","12.377","0.005","10.686","0.005","23.309","0.005","90","0.005","90","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Fe O3 -","- C20 H14 Fe O3 -","- C160 H112 Fe8 O24 -","8","1","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar","InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions","RSC Advances","2012","2","6","2413","","10.1039/c2ra00987k","","","0.71073","MoKα","","0.2486","0.0777","","","0.082","0.1242","","","","","","0.915","","","","has coordinates","244239","2020-10-21","18:00:00",""
"7238647","23.864","0.009","18.914","0.007","29.501","0.011","90","","90","","90","","13316","9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H90 Ba N22 O31 -","- C50 H60 Ba N22 O31 -","- C400 H480 Ba8 N176 O248 -","8","1","","Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril","RSC Advances","2012","2","13","5663","","10.1039/c2ra20569f","","","0.71073","MoKα","","0.0858","0.0561","","","0.1326","0.1489","","","","","","1.024","","","","has coordinates","244271","2020-10-21","18:00:00",""
"7238725","14.213","0.008","7.615","0.004","34.237","0.018","90","","90","","90","","3706","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H17 F3 -","- C24 H17 F3 -","- C192 H136 F24 -","8","1","","Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling","Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene","RSC Advances","2012","2","30","11529","","10.1039/c2ra21622a","","","0.71073","MoKα","","0.1488","0.0724","","","0.2068","0.2603","","","","","","1.029","","","","has coordinates","244318","2020-10-21","18:00:00",""
"7238741","15.7399","0.0015","8.8045","0.0008","24.485","0.002","90","","90","","90","","3393.2","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","1","","Viji, Mayavan; Nagarajan, Rajagopal","Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation","RSC Advances","2012","2","28","10544","","10.1039/c2ra21735j","","","0.71073","MoKα","","0.0703","0.0597","","","0.1253","0.1306","","","","","","1.158","","","","has coordinates","244323","2020-10-21","18:00:00",""
"7238773","9.2896","0.0016","19.504","0.004","20.846","0.004","90","","90","","90","","3777","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C184 H136 Cl8 N16 O24 -","8","1","","Khurana, Jitender M.; Lumb, Anshika; Chaudhary, Ankita; Nand, Bhaskara","Synthesis and in vitro evaluation of antioxidant activity of diverse naphthopyranopyrimidines, diazaanthra[2,3-d][1,3]dioxole-7,9-dione and tetrahydrobenzo[a]xanthen-11-ones","RSC Adv.","2013","3","6","1844","","10.1039/C2RA22406B","","","0.71073","MoKα","","0.0785","0.0552","","","0.1161","0.126","","","","","","1.031","","","","has coordinates","244342","2020-10-21","18:00:00",""
"7238783","7.6418","0.0011","12.739","0.0018","24.237","0.004","90","","90","","90","","2359.4","0.6","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd Cl N O5 P -","- C9 H11 Cd Cl N O5 P -","- C72 H88 Cd8 Cl8 N8 O40 P8 -","8","1","","Chu, Wei; Zhu, Yan-Yu; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Jing; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Zinc(ii) and cadmium(ii) carboxyphosphonates with a 3D pillared-layered structure: synthesis, crystal structures, high thermal stabilities and luminescent properties","RSC Adv.","2013","3","2","623","","10.1039/C2RA22571A","","","0.71073","MoKα","","0.0663","0.0382","","","0.075","0.0862","","","","","","1.007","","","","has coordinates","244349","2020-10-21","18:00:00",""
"7238784","15.143","0.0004","13.8141","0.0004","17.0179","0.0005","90","","90","","90","","3559.92","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24.33 H25.33 Al N3 O6 -","- C30.6667 H20 N4 O5.33333 -","- C184 H120 N24 O32 -","6","0.75","","Goswami, Shyamaprosad; Aich, Krishnendu; Das, Avijit Kumar; Manna, Abhishek; Das, Sangita","A naphthalimide‒quinoline based probe for selective, fluorescence ratiometric sensing of trivalent ions","RSC Advances","2013","3","7","2412","","10.1039/c2ra22624c","","","0.71073","MoKα","","0.055","0.0394","","","0.1237","0.1561","","","","","","0.627","","","","has coordinates","244350","2020-10-21","18:00:00",""
"7238787","24.007","0.0017","13.3108","0.0007","24.2954","0.0014","90","","90","","90","","7763.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N6 O S3 -","- C46 H40 N6 O S3 -","- C368 H320 N48 O8 S24 -","8","1","","Elumalai, Palani; Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy","Design strategy for arranging an aromatic cyclic trimer into a tripodal molecule","RSC Advances","2013","3","7","2171","","10.1039/c2ra22679k","","","0.71073","MoKα","","0.158","0.0909","","","0.1479","0.1739","","","","","","1.133","","","","has coordinates","244352","2020-10-21","18:00:00",""
"7238824","6.4359","0.0004","12.7184","0.0007","15.8769","0.001","90","","90","","90","","1299.59","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dinitro-1H-pyrazole-1,4-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C24 H32 N48 O32 -","8","1","","He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds","Journal of Materials Chemistry A","2013","1","8","2863","","10.1039/c2ta01359b","","","0.71073","MoKα","","0.0304","0.0286","","","0.0768","0.0784","","","","","","1.063","","","","has coordinates","244387","2020-10-21","18:00:00",""
"7238831","9.7539","0.0015","19.227","0.003","24.684","0.004","90","","90","","90","","4629.2","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N12 Na2 O34 Zn5 -","- C30 H24 N12 Na2 O34 Zn5 -","- C120 H96 N48 Na8 O136 Zn20 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0504","0.0448","","","0.1266","0.1303","","","","","","1.043","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238877","10.427","0.002","19.086","0.004","19.748","0.004","90","","90","","90","","3930","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C176 H144 N16 O32 S8 -","8","1","","Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin","Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions","RSC Advances","2013","3","14","4643","","10.1039/c3ra00123g","","","0.71073","MoKα","","0.0549","0.0407","","","0.1047","0.117","","","","","","1.024","","","","has coordinates","244440","2020-10-21","18:00:00",""
"7238884","9.2655","0.0007","9.3737","0.0007","33.083","0.003","90","","90","","90","","2873.3","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0712","0.0485","","","0.1356","0.1531","","","","","","1.024","","","","has coordinates","244445","2020-10-21","18:00:00",""
"7238886","13.3795","0.0007","12.7454","0.0008","17.2339","0.001","90","","90","","90","","2938.8","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0517","0.0405","","","0.1059","0.1143","","","","","","1.035","","","","has coordinates","244445","2020-10-21","18:00:00",""
"7238933","17.7475","0.0006","11.7784","0.0006","35.4048","0.0012","90","","90","","90","","7400.9","0.5","195","2","195","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H52 N6 O2 Ru -","- C38 H48 N6 O2 Ru -","- C304 H384 N48 O16 Ru8 -","8","1","","Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi","Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal","RSC Advances","2013","3","20","7579","","10.1039/c3ra23362f","","","0.71075","MoKα","","0.0772","0.0461","","","0.1046","0.1277","","","","","","1.077","","","","has coordinates","244470","2020-10-21","18:00:00",""
"7238934","17.7803","0.0006","11.8826","0.0007","35.7471","0.0013","90","","90","","90","","7552.5","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H52 N6 O2 Ru -","- C38 H48 N6 O2 Ru -","- C304 H384 N48 O16 Ru8 -","8","1","","Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi","Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal","RSC Advances","2013","3","20","7579","","10.1039/c3ra23362f","","","0.71075","MoKα","","0.0894","0.0498","","","0.1191","0.1408","","","","","","1.097","","","","has coordinates","244470","2020-10-21","18:00:00",""
"7238950","12.9488","0.0007","14.6721","0.0012","25.565","0.002","90","","90","","90","","4857","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C224 H256 N32 O16 -","16","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.2501","0.0539","","","0.0597","0.0834","","","","","","0.709","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238962","5.871","0.005","16.844","0.005","29.189","0.005","90","0.005","90","0.005","90","0.005","2887","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br2 Cl O -","- C15 H11 Br2 Cl O -","- C120 H88 Br16 Cl8 O8 -","8","1","","Xue, Hongxun; Tan, Hui; Wei, Donglei; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhao, Baozhong","N-Bromosuccinimide‒carboxylic acid combination: mild and efficient access to dibromination of unsaturated carbonyl compounds","RSC Advances","2013","3","16","5382","","10.1039/c3ra40360b","","","0.71069","MoKα","","0.0727","0.0369","","","0.0692","0.0805","","","","","","1.012","","","","has coordinates","244479","2020-10-21","18:00:00",""
"7238964","19.4147","0.0012","20.993","0.0013","46.517","0.004","90","","90","","90","","18959","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H123 Cl2 Dy2 O53 V12 -","- C54 H109.5 Cl Dy2 O53 V12 -","- C432 H876 Cl8 Dy16 O424 V96 -","8","1","","Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters","RSC Advances","2013","3","18","6299","","10.1039/c3ra40385h","","","0.71073","MoKα","","0.1177","0.0832","","","0.2062","0.2224","","","","","","1.112","","","","has coordinates,has disorder","244480","2020-10-21","18:00:00",""
"7239008","9.1981","0.0004","9.2778","0.0003","23.4543","0.0011","90","","90","","90","","2001.55","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-one, 17","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0724","0.0494","","","0.095","0.1008","","","","","","1.063","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239025","13.319","0.006","18.375","0.007","19.555","0.008","90","","90","","90","","4786","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cl4 Fe O2 -","- C24 H19 Cl4 Fe O2 -","- C192 H152 Cl32 Fe8 O16 -","8","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.0819","0.0413","","","0.0863","0.1038","","","","","","1.021","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239094","6.6655","0.0008","21.962","0.002","32.777","0.004","90","","90","","90","","4798.2","0.9","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H23 N -","- C35 H23 N -","- C280 H184 N8 -","8","1","","Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha","Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes","RSC Advances","2013","3","36","15812","","10.1039/c3ra41924j","","","0.71073","MoKα","","0.058","0.0453","","","0.1389","0.1479","","","","","","1.102","","","","has coordinates","244541","2020-10-21","18:00:00",""
"7239101","8.5996","0.0013","14.555","0.002","20.633","0.003","90","","90","","90","","2582.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.1025","0.0511","","","0.1391","0.1744","","","","","","1.009","","","","has coordinates","244546","2020-10-21","18:00:00",""
"7239215","15.458","0.0003","9.54826","0.00016","20.432","0.0004","90","","90","","90","","3015.7","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N4 O P -","- C16 H17 N4 O P -","- C128 H136 N32 O8 P8 -","8","1","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","1.5418","CuKα","","0.031","0.0308","","0.0428","0.0427","0.0425","","","","","","0.9638","","","","has coordinates","244602","2020-10-21","18:00:00",""
"7239244","8.2841","0.0004","16.116","0.0008","26.3361","0.0014","90","","90","","90","","3516","0.3","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4,5-diiodo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide","","- C8 H9 F6 I2 N3 O4 S2 -","- C8 H9 F6 I2 N3 O4 S2 -","- C64 H72 F48 I16 N24 O32 S16 -","8","1","","Mukai, Tomohiro; Nishikawa, Keiko","4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity","RSC Advances","2013","3","43","19952","","10.1039/c3ra43899f","","","0.71073","MoKα","","0.0466","0.0307","","","0.0654","0.0704","","","","","","1.024","","","","has coordinates","244616","2020-10-21","18:00:00",""
"7239279","7.628","0.007","19.796","0.018","21.5","0.02","90","","90","","90","","3247","5","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B N2 O -","- C20 H21 B N2 O -","- C160 H168 B8 N16 O8 -","8","1","","Vanveller, Brett; Aronoff, Matthew R.; Raines, Ronald T.","A Divalent Protecting Group for Benzoxaboroles.","RSC advances","2013","44","3","21331","21334","10.1039/C3RA44385J","","","0.71073","MoKα","","0.0748","0.0495","","","0.1127","0.1272","","","","","","1.054","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7239287","11.2663","0.0003","10.663","0.0003","13.203","0.0003","90","","90","","90","","1586.11","0.07","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H14 N O -","- C9 H14 N O -","- C72 H112 N8 O8 -","8","1","","Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Multi-functional molecular rotators with dielectric, magnetic and optical responses","RSC Adv.","2014","4","2","743","","10.1039/C3RA44515A","","","1.54187","CuKα","","0.0761","0.0656","","","0.1603","0.1655","","","","","","1.133","","","","has coordinates","244636","2020-10-21","18:00:00",""
"7239295","21.1413","0.0007","19.5241","0.0007","24.0141","0.0012","90","","90","","90","","9912.2","0.7","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H54 Cl2 O18 -","- C52 H54 Cl2 O18 -","- C416 H432 Cl16 O144 -","8","1","","Pan, Mingguang; Xue, Min","Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation","RSC Adv.","2014","4","1","260","","10.1039/C3RA44581J","","","0.71073","MoKα","","0.102","0.0643","","","0.1617","0.1858","","","","","","1.054","","","","has coordinates","244640","2020-10-21","18:00:00",""
"7239334","15.2615","0.0009","16.0717","0.0007","16.9595","0.0008","90","","90","","90","","4159.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C232 H160 N16 -","8","1","","Thanikachalam, V.; Arunpandiyan, A.; Jayabharathi, J.; Ramanathan, P.","Photophysical properties of the intramolecular excited charge-transfer states of π-expanded styryl phenanthrimidazoles ‒ effect of solvent polarity","RSC Adv.","2014","4","13","6790","","10.1039/C3RA44994G","","","0.71073","MoKα","","0.0599","0.0365","","","0.0861","0.1017","","","","","","1.025","","","","has coordinates","244659","2020-10-21","18:00:00",""
"7239336","13.2636","0.0018","10.1957","0.0013","27.784","0.004","90","","90","","90","","3757.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Br2 O4 S2 Si -","- C14 H14 Br2 O4 S2 Si -","- C112 H112 Br16 O32 S16 Si8 -","8","1","","Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin","Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization","RSC Advances","2014","4","16","8011","","10.1039/c3ra45014g","","","0.71073","MoKα","","0.0982","0.0517","","","0.1038","0.1223","","","","","","1.01","","","","has coordinates","244660","2020-10-21","18:00:00",""
"7239347","24.6911","0.0018","10.2087","0.0008","20.4419","0.0015","90","","90","","90","","5152.7","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Complex 6","","","- C27 H24 N4 O2 S Zn -","- C27 H24 N4 O2 S Zn -","- C216 H192 N32 O16 S8 Zn8 -","8","1","","Jena, Himanshu Sekhar","Diastereoselective self-assembly of heterochiral Zn(ii) complexes of racemic Schiff bases in a chiral self-discriminating process: effect of non-covalent interactions on solid state structural self-assembly","RSC Adv.","2014","4","6","3028","","10.1039/C3RA45082A","","","0.71073","MoKα","","0.1044","0.0564","","","0.1201","0.1418","","","","","","1.034","","","","has coordinates","244662","2020-10-21","18:00:00",""
"7239371","12.226","0.002","15.112","0.003","18.934","0.003","90","","90","","90","","3498.2","1.1","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","jonjk66","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Kovach, James; Brennessel, William W.; Jones, William D.","Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones","RSC Adv.","2014","4","3","1401","","10.1039/C3RA45350B","","","0.71073","MoKα","","0.0914","0.0527","","","0.1255","0.1465","","","","","","1.036","","","","has coordinates","244671","2020-10-21","18:00:00",""
"7239439","9.9209","0.0013","9.2391","0.0013","22.868","0.003","90","","90","","90","","2096.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Pathak, Sudipta; Kundu, Ashis; Pramanik, Animesh","Monobromomalononitrile: an efficient regioselective mono brominating agent towards active methylene compounds and enamines under mild conditions","RSC Adv.","2014","4","20","10180","","10.1039/C3RA46687F","","","0.71073","MoKα","","0.0762","0.0466","","","0.1321","0.1631","","","","","","0.88","","","","has coordinates","244707","2020-10-21","18:00:00",""
"7239448","11.592","0.0011","16.9249","0.0016","44.395","0.004","90","","90","","90","","8710","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H27 Cu3 F18 Fe2 N6 O2 -","- C39 H27 Cu3 F18 Fe2 N6 O2 -","- C312 H216 Cu24 F144 Fe16 N48 O16 -","8","1","","Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.","Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes","RSC Advances","2014","4","16","8350","","10.1039/c3ra47040g","","","0.71073","MoKα","","0.0837","0.0493","","","0.0977","0.1103","","","","","","1.052","","","","has coordinates,has disorder","244713","2020-10-21","18:00:00",""
"7239486","17.004","0.003","18.042","0.004","19.082","0.004","90","","90","","90","","5854","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl3 N7 O6 -","- C26 H28 Cl3 N7 O6 -","- C208 H224 Cl24 N56 O48 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1244","0.1154","","","0.2773","0.2836","","","","","","1.262","","","","has coordinates","244730","2020-10-21","18:00:00",""
"7239487","17.077","0.003","17.927","0.004","19.393","0.004","90","","90","","90","","5937","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Br Cl2 N7 O6 -","- C26 H28 Br Cl2 N7 O6 -","- C208 H224 Br8 Cl16 N56 O48 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.1808","0.1483","","","0.2404","0.257","","","","","","1.3","","","","has coordinates","244730","2020-10-21","18:00:00",""
"7239488","17.539","0.004","17.744","0.004","19.73","0.004","90","","90","","90","","6140","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl2 N8 O9 -","- C26 H28 Cl2 N8 O9 -","- C208 H224 Cl16 N64 O72 -","8","1","","Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian","Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding","RSC Advances","2014","4","18","9339","","10.1039/c3ra47748g","","","0.71073","MoKα","","0.2533","0.2288","","","0.4569","0.4713","","","","","","1.325","","","","has coordinates,has disorder","244730","2020-10-21","18:00:00",""
"7239520","7.762","0.002","9.4","0.003","17.653","0.005","90","","90","","90","","1288","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 Cl N6 O4 -","- C H5 Cl N6 O4 -","- C8 H40 Cl8 N48 O32 -","8","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0395","0.0375","","","0.1077","0.1094","","","","","","1.002","","","","has coordinates","244742","2020-10-21","18:00:00",""
"7239564","11.0318","0.0017","10.0035","0.0015","22.999","0.003","90","","90","","90","","2538.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dinitro-N1-(2,2,2-trinitroethyl)-1H-pyrazole-1,4-diamine","","- C5 H5 N9 O10 -","- C5 H5 N9 O10 -","- C40 H40 N72 O80 -","8","1","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.0441","0.0351","","","0.084","0.0882","","","","","","1.045","","","","has coordinates","244774","2020-10-21","18:00:00",""
"7239566","12.7023","0.0012","8.0688","0.0008","13.0694","0.0012","90","","90","","90","","1339.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,4-dinitro-1H-pyrazole-1,5-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C24 H32 N48 O32 -","8","1","","Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M.","Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers","Journal of Materials Chemistry A","2014","2","9","3200","","10.1039/c3ta15057g","","","0.71073","MoKα","","0.028","0.0265","","","0.0689","0.0703","","","","","","1.072","","","","has coordinates","244774","2020-10-21","18:00:00",""
"7239568","7.4137","0.0005","13.643","0.0012","29.756","0.003","90","","90","","90","","3009.7","0.5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I N O2 -","- C14 H18 I N O2 -","- C112 H144 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1289","0.0486","","","0.069","0.0845","","","","","","0.858","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239576","7.53","0.002","13.635","0.003","34.164","0.008","90","","90","","90","","3507.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I N O2 -","- C18 H20 I N O2 -","- C144 H160 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0717","0.0595","","","0.0856","0.0896","","","","","","1.233","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239714","11.2374","0.0001","10.3578","0.0001","16.9587","0.0001","90","","90","","90","","1973.9","0.03","292.7","0.6","292.7","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C88 H80 O16 S8 -","8","1","","Chen, Shihao; Li, Yaping; Wang, Ming; Jiang, Xuefeng","General sulfone construction via sulfur dioxide surrogate control","Green Chemistry","2020","22","2","322","326","10.1039/C9GC03841H","","x-ray","1.54184","CuKα","","0.0351","0.034","","","0.0916","0.0927","","","","","","1.031","","","","has coordinates","257593","2020-10-21","18:00:00",""
"7239721","10.8929","0.0006","8.8947","0.0005","15.66","0.0008","90","","90","","90","","1517.28","0.14","200","0.1","200","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H9 O2 -","- C11 H9 O2 -","- C88 H72 O16 -","8","1","","Shi, Yijun; Liu, Xuejing; Han, Ying; Yan, Peng; Bie, Fusheng; Cao, Han","Diels‒Alder reactions between cyclopentadiene analogs and benzoquinone in water and their application in the synthesis of polycyclic cage compounds","RSC Advances","2020","10","2","739","745","10.1039/C9RA09745G","","x-ray","0.71073","MoKα","","0.078","0.051","","","0.1046","0.1188","","","","","","1.038","","","","has coordinates","258049","2020-10-21","18:00:00",""
"7239723","7.2797","0.0005","14.3957","0.0012","32.249","0.003","90","","90","","90","","3379.6","0.5","298","2","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Rao, Jiarui; Liu, Liwei; Zeng, Dan; Wang, Mingwei; Xiang, Meng; Yang, Song","Antibiotic activities of propanolamine containing 1,4-benzoxazin-3-ones against phytopathogenic bacteria","RSC Advances","2020","10","2","682","688","10.1039/C9RA09639F","","","0.71073","MoKα","","0.1155","0.0549","","","0.1263","0.1557","","","","","","1.041","","","","has coordinates","258051","2020-10-21","18:00:00",""
"7239739","17.7822","0.0006","17.782","0.002","43.687","0.0013","90","","90","","90","","13814","1.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H32 O8 -","- C44 H32 O8 -","- C704 H512 O128 -","16","2","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1834","0.057","","","0.0714","0.0841","","","","","","1.05","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239757","6.849","0.0011","11.5108","0.0019","22.982","0.004","90","","90","","90","","1811.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H9 N7 O5 -","- C3 H9 N7 O5 -","- C24 H72 N56 O40 -","8","1","","Zhang, Jichuan; Wang, Zhenyuan; Hsieh, Yunhao; Wang, Binshen; Huang, Haifeng; Yang, Jun; Zhang, Jiaheng","A promising cation of 4-aminofurazan-3-carboxylic acid amidrazone in desensitizing energetic materials","RSC Advances","2020","10","5","2519","2525","10.1039/C9RA09555A","","","0.71073","MoKα","","0.0471","0.0436","","","0.1115","0.1148","","","","","","1.126","","","","has coordinates","258023","2020-10-21","18:00:00",""
"7239803","11.977","0.0013","16.9418","0.0017","28.631","0.003","90","","90","","90","","5809.6","1.1","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C25 H52 N2 Si3 -","- C25 H52 N2 Si3 -","- C200 H416 N16 Si24 -","8","1","","Holzner, Richard; Reiter, Dominik; Frisch, Philipp; Inoue, Shigeyoshi","DMAP-stabilized bis(silyl)silylenes as versatile synthons for organosilicon compounds","RSC Advances","2020","10","6","3402","3406","10.1039/C9RA10628F","","x-ray","0.71073","MoKα","","0.0334","0.0289","","","0.0771","0.0802","","","","","","1.045","","","","has coordinates","258055","2020-10-21","18:00:00",""
"7239819","11.1478","0.0003","22.3581","0.0008","29.9866","0.0012","90","","90","","90","","7474","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium dihydrogentrinitrophloroglucinolate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C16 H20 N4 O9 -","- C16 H20 N4 O9 -","- C256 H320 N64 O144 -","16","2","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0963","0.0648","","","0.1527","0.1699","","","","","","1.044","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239822","16.1105","0.0014","26.198","0.003","35.156","0.005","90","","90","","90","","14838","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium hydrogentrinitrophloroglucinolate trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium 5-hydroxy-2,4,6-trinitrobenzene-1,3-bis(olate) trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C66 H106 N11 O23 -","- C66 H106 N11 O23 -","- C528 H848 N88 O184 -","8","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.4225","0.1872","","","0.2621","0.3583","","","","","","1.024","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239983","11.7246","0.0003","8.3285","0.0002","16.9656","0.0005","90","","90","","90","","1656.66","0.08","106","7","106","7","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TR67.0U","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C64 H88 N8 O24 -","8","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.0425","0.0375","","","0.0945","0.0977","","","","","","1.085","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7239994","9.2257","0.0018","16.713","0.003","21.02","0.004","90","","90","","90","","3241.1","1.1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N5 O3 -","- C16 H20 N5 O3 -","- C128 H160 N40 O24 -","8","1","","Yang, Meng; Liang, Xiaohong; Zhang, Yandie; Ouyang, Zhijian; Dong, Wen","A nitronyl nitroxide and its two 1D chain Cu‒Tb complexes: synthesis, structures, and magnetic properties","RSC Advances","2020","10","14","8490","8496","10.1039/D0RA00018C","","","0.71073","MoKα","","0.1059","0.0696","","","0.1616","0.1875","","","","","","1.01","","","","has coordinates","258089","2020-10-21","18:00:00",""
"7240153","18.1041","0.0006","7.3009","0.00017","26.2525","0.001","90","","90","","90","","3469.96","0.19","298","","298","","","","101.3","","","","","6","P b c a","-P 2ac 2ab","61","Ciprfloxacin Hydrochloride Anhydrous Form I","Ciprfloxacin Hydrochloride Anhydrous Form I","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C136 H152 Cl8 F8 N24 O24 -","8","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","powder diffraction","x-ray","1.19621","synchrotron","","","","","","","","0.08626","","1.74","","","","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240203","15.6052","0.0005","15.8374","0.0006","18.1718","0.0005","90","","90","","90","","4491.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-62","Zn(Im)1.72(bIm)0.28","","- C16.69 H18.62 N8 O0.83 Zn2 -","- C16.774 H19.807 N8 O0.827 Zn2 -","- C134.192 H158.456 N64 O6.616 Zn16 -","8","1","","Thorne, Michael F.; Gómez, María Laura Ríos; Bumstead, Alice M.; Li, Shichun; Bennett, Thomas D.","Mechanochemical synthesis of mixed metal, mixed linker, glass-forming metal–organic frameworks","Green Chemistry","2020","22","8","2505","2512","10.1039/D0GC00546K","","x-ray","1.54184","CuKα","","0.0503","0.045","","","0.1313","0.1374","","","","","","1.054","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7240219","11.6746","0.0005","8.8149","0.0003","18.171","0.0007","90","","90","","90","","1869.99","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DMA-BTO","","","- C4 H9 N9 O2 -","- C4 H9 N9 O2 -","- C32 H72 N72 O16 -","8","1","","Xu, Xin; Chen, Dong; Li, Hongzhen; Yan, Mi; Xiong, Ying; Zhao, Haixia; Xu, Rong","Crystal structure evolution of an energetic compound dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate induced by solvents","RSC Advances","2020","10","20","11939","11944","10.1039/D0RA01182G","","","0.71073","MoKα","","0.0484","0.0385","","","0.0952","0.1032","","","","","","1.057","","","","has coordinates","258076","2020-10-21","18:00:00",""
"7240262","9.612","0.003","7.441","0.002","24.001","0.007","90","","90","","90","","1716.6","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","1","","Huang, Jiangkun; Luo, Lan; Xing, Naiguo; Gu, Linghui; Li, Chen; Han, Qiao; Zheng, Shilong; He, Ling","Novel synthesis of divergent aryl imidazoles from ketones involving copper-catalyzed α-amination and oxidative C‒C bond cleavage","RSC Advances","2020","10","23","13815","13819","10.1039/D0RA01408G","","","0.71073","MoKα","","0.1112","0.0565","","","0.11","0.1333","","","","","","1.103","","","","has coordinates","258114","2020-10-21","18:00:00",""
"7240285","21.618","0.003","7.8792","0.001","23.619","0.003","90","","90","","90","","4023.1","0.9","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N7 -","- C22 H16 I N7 -","- C176 H128 I8 N56 -","8","1","","Liu, Lang; She, Mengyao; Zhang, Jun; Wang, Zhaohui; Liu, Hua; Tang, Mi; Liu, Ping; Zhang, Shengyong; Li, Jianli","A practical strategy for construction and regulation of multi-functional triazepinium salts via highly efficient I2-catalyzed cyclization","Green Chemistry","2020","22","10","3111","3116","10.1039/C9GC04328D","","","0.71073","MoKα","","0.1005","0.0487","","","0.1005","0.1206","","","","","","1.021","","","","has coordinates","257571","2020-10-21","18:00:00",""
"7240299","18.7113","0.0009","6.72929","0.00027","6.84365","0.00015","90","","90","","90","","861.71","0.06","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Cu N2 O -","- C3 H4 Cu N2 O -","- C24 H32 Cu8 N16 O8 -","8","1","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240322","8.6847","0.0017","9.1876","0.0018","27.083","0.005","90","","90","","90","","2161","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0789","0.0436","","","0.1074","0.1278","","","","","","1.008","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240336","10.0639","0.0011","19.418","0.002","34.924","0.004","90","","90","","90","","6824.9","1.3","170","2","170.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cu F18 N2 O6 -","- C25 H22 Cu F18 N2 O6 -","- C200 H176 Cu8 F144 N16 O48 -","8","1","","Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran","Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.","Physical chemistry chemical physics : PCCP","2020","22","20","11417","11430","10.1039/d0cp00024h","","","0.71073","MoKα","","0.0582","0.0539","","","0.1313","0.1339","","","","","","1.104","","","","has coordinates,has disorder","253996","2020-10-21","18:00:00",""
"7240364","13.8452","0.0019","7.5282","0.0011","30.459","0.004","90","","90","","90","","3174.7","0.8","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Br N4 O2 -","- C16 H11 Br N4 O2 -","- C128 H88 Br8 N32 O16 -","8","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed","A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors","RSC Advances","2020","10","26","15554","15572","10.1039/D0RA02256J","","","0.71075","MoKα","","","0.0807","","","","0.2489","","","","","","0.963","","","","has coordinates","258033","2020-10-21","18:00:00",""
"7240393","17.0732","0.0019","19.194","0.003","20.667","0.003","90","","90","","90","","6772.6","1.6","400","","400","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Ni(phpyNO)2(NCS)2]","","- C32 H34 N6 Ni O2 S2 -","- C32 H34 N6 Ni O2 S2 -","- C256 H272 N48 Ni8 O16 S16 -","8","1","","Kyoden, Yukiya; Ishida, Takayuki","An indication of spin-transition accompanied by an order-disorder structural transformation in [Ni(phpyNO)2(NCS)2] (phpyNO = tert-butyl 5-phenyl-2-pyridyl nitroxide)","RSC Advances","2020","10","27","16009","16015","10.1039/D0RA02041A","","","0.71073","MoKα","","0.1954","0.0698","","","0.1227","0.1563","","","","","","1.015","","","","has coordinates,has disorder","257987","2020-10-21","18:00:00",""
"7240413","19.711","0.002","7.4314","0.0009","20.568","0.002","90","","90","","90","","3012.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible light-induced aerobic oxidation of diarylalkynes to α-diketones catalyzed by copper-superoxo at room temperature","Green Chemistry","2020","22","14","4426","4432","10.1039/D0GC00975J","","","0.71073","MoKα","","0.1048","0.0611","","","0.1553","0.2427","","","","","","1.156","","","","has coordinates","257606","2020-10-21","18:00:00",""
"7240421","16.135","0.003","12.819","0.003","20.762","0.004","90","","90","","90","","4294.3","1.5","113","2","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N12 O16 S -","- C10 H16 N12 O16 S -","- C80 H128 N96 O128 S8 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.067","0.0611","","","0.1842","0.1905","","","","","","1.066","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240423","16.618","0.003","13.005","0.003","21.332","0.004","90","","90","","90","","4610.2","1.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C48 H48 N96 O96 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.1601","0.1404","","","0.3255","0.339","","","","","","1.101","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240447","11.0926","0.0006","14.8423","0.0008","25.6676","0.0014","90","","90","","90","","4225.9","0.4","104","2","104","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O5 S -","- C20 H22 N4 O5 S -","- C160 H176 N32 O40 S8 -","8","1","","Ahuja, Dipali; Svärd, Michael; Lusi, Matteo; Rasmuson, Ake","Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine ‒ 3- methylsalicylic acid co-crystal","CrystEngComm","2020","","","","","10.1039/D0CE00498G","","","0.71076","MoKα","","0.0726","0.0535","","","0.1113","0.1183","","","","","","1.159","","","","has coordinates","251516","2020-10-21","18:00:00",""
"7240483","18.0015","0.0014","18.7263","0.0015","18.8837","0.0016","90","","90","","90","","6365.7","0.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[4-(2-fluorphenoxy)phenyl]triphenylphosphonium bistriflimide","","- C32 H23 F7 N O5 P S2 -","- C32 H23 F7 N O5 P S2 -","- C256 H184 F56 N8 O40 P8 S16 -","8","1","","Rabideau, Brooks D.; Soltani, Mohammad; Parker, Rome A.; Siu, Benjamin; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Davis, Jr, James H","Tuning the melting point of selected ionic liquids through adjustment of the cation's dipole moment.","Physical chemistry chemical physics : PCCP","2020","22","21","12301","12311","10.1039/d0cp01214a","","","0.71073","MoKα","","0.0827","0.0579","","","0.1578","0.1854","","","","","","1.046","","","","has coordinates,has disorder","253999","2020-10-21","18:00:00",""
"7240546","7.1246","0.0003","10.0327","0.0004","29.6291","0.0014","90","","90","","90","","2117.86","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-fluorophenyl)-1H-benzimidazole","2-(2-fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54187","CuKα","","0.1422","0.0944","","","0.1417","0.1583","","","","","","1.261","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240547","7.007","0.003","9.936","0.003","32.745","0.003","90","","90","","90","","2279.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-Bromophenyl)-1H-benzimidazole","2-(2-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54178","CuKα","","0.0692","0.0629","","","0.1377","0.1418","","","","","","1.169","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240564","8.3651","0.0006","9.9433","0.0007","27.584","0.002","90","","90","","90","","2294.3","0.3","100","2","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(bis(/m2-beta-Alanine)-lithium perchlotate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C48 H112 Cl8 Li8 N16 O64 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0403","0.0358","","","0.0835","0.086","","","","","","1.178","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240579","19.985","0.003","7.6989","0.001","21.093","0.004","90","","90","","90","","3245.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N7 O2 -","- C15 H19 N7 O2 -","- C120 H152 N56 O16 -","8","1","","Colombo Dugoni, Greta; Baggioli, Alberto; Famulari, Antonino; Sacchetti, Alessandro; Martí-Rujas, Javier; Mariani, Mario; Macerata, Elena; Mossini, Eros; Mele, Andrea","Structural properties of the chelating agent 2,6-bis(1-(3-hydroxypropyl)-1,2,3-triazol-4-yl)pyridine: a combined XRD and DFT structural study","RSC Advances","2020","10","33","19629","19635","10.1039/D0RA04142D","","","1.54178","CuKα","","0.0459","0.0405","","","0.1012","0.1062","","","","","","1.061","","","","has coordinates","258014","2020-10-21","18:00:00",""
"7240584","12.652","0.003","7.525","0.0015","34.367","0.007","90","","90","","90","","3272","1.2","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N4 O4 Se -","- C19 H12 N4 O4 Se -","- C152 H96 N32 O32 Se8 -","8","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","","0.82656","Synchrotron","","0.0758","0.0601","","","0.1641","0.1802","","","","","","1.037","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240596","12.9027","0.0009","6.9592","0.0004","18.0598","0.0016","90","","90","","90","","1621.6","0.2","105","8","105","8","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[2-trans-(4-hydroxyphenyl) ethenyl] formamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","","Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng","Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019","RSC Advances","2020","10","35","20738","20744","10.1039/D0RA03529G","","x-ray","1.54184","CuKα","","0.0605","0.0437","","","0.1136","0.1227","","","","","","1.068","","","","has coordinates","258126","2020-10-21","18:00:00",""
"7240642","10.3557","0.0004","12.4193","0.0005","13.5892","0.0004","90","","90","","90","","1747.71","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N O4 P -","- C5 H14 N O4 P -","- C40 H112 N8 O32 P8 -","8","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.0402","0.0338","","","0.0839","0.0879","","","","","","1.059","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240668","14.7113","0.0003","10.5414","0.0002","24.3585","0.0006","90","","90","","90","","3777.46","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H31 N5 O -","- C18 H31 N5 O -","- C144 H248 N40 O8 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0484","0.047","","","0.1181","0.1199","","","","","","1.095","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240670","15.07","0.0003","10.3551","0.0002","24.4042","0.0005","90","","90","","90","","3808.31","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N5 -","- C19 H33 N5 -","- C152 H264 N40 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0505","0.0451","","","0.1125","0.1173","","","","","","1.065","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240885","8.1552","0.0006","10.3206","0.0008","14.38","0.0012","90","","90","","90","","1210.32","0.16","105","2","104.71","","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-o,o'-azodioxytoluene","1, 2-bis(2mehtylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0896","0.0497","","","0.1099","0.1302","","","","","","1.026","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240957","21.078","0.0003","18.3155","0.0002","21.2034","0.0002","90","","90","","90","","8185.66","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H20 Er F9 N4 O6 S3 -","- C38 H20 Er F9 N4 O6 S3 -","- C304 H160 Er8 F72 N32 O48 S24 -","8","1","","Brito-Santos, Gabriela; Gil-Hernández, Beatriz; Martín, Inocencio R.; Guerrero-Lemus, Ricardo; Sanchiz, Joaquín","Visible and NIR emitting Yb(iii) and Er(iii) complexes sensitized by β-diketonates and phenanthroline derivatives","RSC Advances","2020","10","46","27815","27823","10.1039/D0RA05539E","","","0.71073","MoKα","","0.0593","0.0404","","","0.1026","0.1191","","","","","","1.034","","","","has coordinates,has disorder","258067","2020-10-21","18:00:00",""
"7240977","11.6926","0.0009","8.1121","0.0007","14.1796","0.001","90","","90","","90","","1344.96","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-amino-3-hydroxybenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0808","0.0495","","","0.1292","0.1562","","","","","","0.928","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7241006","10.6078","0.0005","10.7273","0.0004","31.015","0.0011","90","","90","","90","","3529.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 N2 O3 -","- C18 H16 Cl2 N2 O3 -","- C144 H128 Cl16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0755","0.0617","","","0.1646","0.1764","","","","","","1.05","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241009","10.77295","0.00012","10.79851","0.00009","31.7818","0.0004","90","","90","","90","","3697.23","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0613","0.0576","","","0.1538","0.1575","","","","","","1.079","","","","has coordinates,has disorder","254849","2020-10-21","18:00:00",""
"7241026","20.1754","0.0012","7.5445","0.0004","37.558","0.002","90","","90","","90","","5716.8","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H32 Au2 Cd2 N10 S12 -","- C54 H32 Au2 Cd2 N10 S12 -","- C216 H128 Au8 Cd8 N40 S48 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0416","0.0278","","","0.0504","0.0539","","","","","","1.068","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241099","14.4343","0.0012","12.339","0.0012","16.3675","0.0011","90","","90","","90","","2915.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C112 H128 N32 O40 -","8","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.056","0.0401","","","0.1027","0.114","","","","","","1.046","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241160","15.2249","0.0012","15.4358","0.0013","24.04","0.002","90","","90","","90","","5649.6","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H56 N16 O8 Zn4 -","- C50 H56 N16 O8 Zn4 -","- C200 H224 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0677","0.0465","","","0.1278","0.144","","","","","","1.228","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241161","15.2598","0.0012","16.0078","0.0013","24.0526","0.0019","90","","90","","90","","5875.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H64 N16 O8 Zn4 -","- C54 H64 N16 O8 Zn4 -","- C216 H256 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.092","0.055","","","0.1433","0.1743","","","","","","1.096","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241194","9.8032","0.0004","18.8923","0.0008","22.6814","0.0007","90","","90","","90","","4200.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O8 Zn -","- C22 H20 N2 O8 Zn -","- C176 H160 N16 O64 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.1015","0.0768","","","0.2002","0.224","","","","","","1.039","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241230","9.5153","0.001","17.8775","0.0017","24.2427","0.0018","90","","90","","90","","4123.9","0.7","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C176 H168 N8 O48 S8 -","8","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","0.71073","MoKα","","0.095","0.0491","","","0.1199","0.1584","","","","","","1.025","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241283","9.6149","0.0001","13.0783","0.0001","23.3712","0.0003","90","","90","","90","","2938.85","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Zharkov, Mikhail; Kuchurov, Ilya; Zlotin, Sergei Grigorievich","Micronization of CL-20 using supercritical and liquefied gases","CrystEngComm","2020","","","","","10.1039/D0CE01167C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0733","0.0762","","","","","","1.102","","","","has coordinates","256611","2020-10-21","18:00:00",""
"7241312","14.1536","0.0002","14.5187","0.0003","15.7597","0.0003","90","","90","","90","","3238.49","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N2 O8 Re2 -","- C14 H6 N2 O8 Re2 -","- C112 H48 N16 O64 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","1.54184","CuKα","","0.0353","0.0332","","","0.0844","0.086","","","","","","1.135","","","","has coordinates","256784","2020-10-21","18:00:00",""
"7241327","9.4075","0.0004","18.8184","0.0005","21.0347","0.0009","90","","90","","90","","3723.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H42 Br16 N8 O21 -","- C52 H42 Br16 N8 O21 -","- C104 H84 Br32 N16 O42 -","2","0.25","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71069","MoKα","","0.0619","0.0368","","","0.0769","0.0868","","","","","","1.073","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241332","26.971","0.005","23.006","0.005","35.506","0.007","90","","90","","90","","22031","8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H120 N6 O27 S4 Zn3 -","- C102 H120 N6 O27 S4 Zn3 -","- C816 H960 N48 O216 S32 Zn24 -","8","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79312","synchrotron","","0.0943","0.0625","","","0.1719","0.1947","","","","","","1.036","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241348","16.8773","0.0005","10.5015","0.0003","19.9631","0.0007","90","","90","","90","","3538.2","0.19","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd2 N13 O2 -","- C13 H7 Cd2 N13 O2 -","- C104 H56 Cd16 N104 O16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0439","0.0364","","","0.11","0.1148","","","","","","1.052","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241391","6.5678","0.0008","6.0983","0.0007","7.8715","0.0008","90","","90","","90","","315.27","0.06","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0281","0.0254","","","0.0661","0.0671","","","","","","1.105","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241392","6.5224","0.0011","6.0741","0.0008","7.8268","0.0012","90","","90","","90","","310.08","0.08","228","2","228","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0299","0.0284","","","0.0683","0.0692","","","","","","1.126","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241393","6.4914","0.0005","6.0556","0.0005","7.802","0.0005","90","","90","","90","","306.69","0.04","156","2","156","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0273","0.0259","","","0.0661","0.0672","","","","","","1.109","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241394","6.5045","0.0006","6.064","0.0006","7.8072","0.0009","90","","90","","90","","307.94","0.05","192","2","192","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0287","0.0266","","","0.0668","0.0684","","","","","","1.173","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241395","6.5399","0.0011","6.0841","0.0007","7.8385","0.0012","90","","90","","90","","311.89","0.08","264","2","264","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0277","0.0263","","","0.0644","0.0652","","","","","","1.122","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241418","17.2953","0.0007","13.8502","0.0005","20.9305","0.0007","90","","90","","90","","5013.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl3 N7 O -","- C23 H23 Br Cl3 N7 O -","- C184 H184 Br8 Cl24 N56 O8 -","8","1","","Nandikolla, Adinarayana; Srinivasarao, Singireddi; Karan Kumar, Banoth; Murugesan, Sankaranarayanan; Aggarwal, Himanshu; Major, Louise L.; Smith, Terry K.; Chandra Sekhar, Kondapalli Venkata Gowri","Synthesis, study of antileishmanial and antitrypanosomal activity of imidazo pyridine fused triazole analogues","RSC Advances","2020","10","63","38328","38343","10.1039/D0RA07881F","","x-ray","0.71073","MoKα","","0.0411","0.0292","","","0.0725","0.0791","","","","","","1.0393","","","","has coordinates,has disorder","258492","2020-10-21","18:00:00",""
"7241420","18.6379","0.0002","11.3482","0.0001","28.6405","0.0003","90","","90","","90","","6057.66","0.11","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0684","0.0694","","","","","","1.073","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241428","24.7572","0.0013","7.6282","0.0005","13.3499","0.0006","90","","90","","90","","2521.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja","Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach","RSC Advances","2020","10","63","38566","38577","10.1039/D0RA06845D","","x-ray","0.71073","MoKα","","0.0986","0.0511","","","0.0894","0.1052","","","","","","0.899","","","","has coordinates","258508","2020-10-21","04:08:30",""
"7241446","18.01208","0.00008","16.32819","0.00008","22.3516","0.0001","90","","90","","90","","6573.71","0.05","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 N5 O8 S -","- C28 H45 N5 O8 S -","- C224 H360 N40 O64 S8 -","8","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0435","0.0409","","","0.1179","0.12","","","","","","1.024","","","","has coordinates","259282","2020-11-29","02:22:40",""
"7241633","7.4851","0.0004","13.4109","0.0007","21.5161","0.0011","90","","90","","90","","2159.8","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C80 H88 Cu8 N8 O40 -","8","1","","Su, Hao; Li, Zhongkui; Tan, Junrui; Ma, Hongwei; Yan, Li; Li, Hui","Structural conversion of three copper(ii) complexes with snapshot observations based on the different crystal colours and morphology","RSC Advances","2020","10","70","42964","42970","10.1039/D0RA07231A","","","0.71073","MoKα","","0.0471","0.0385","","","0.1115","0.1167","","","","","","1.062","","","","has coordinates","259349","2020-11-30","05:00:50",""
"7241702","12.932","0.0005","16.4501","0.0006","24.4593","0.0009","90","","90","","90","","5203.3","0.3","100.01","","100.01","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H37 Au F6 N O Sb -","- C22 H37 Au F6 N O Sb -","- C176 H296 Au8 F48 N8 O8 Sb8 -","8","1","","Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika","Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.","Physical chemistry chemical physics : PCCP","2021","23","2","1577","1583","10.1039/d0cp05222a","","","0.71073","MoKα","","0.0349","0.0233","","","0.0427","0.0458","","","","","","1.05","","","","has coordinates","261768","2021-02-04","23:31:55",""
"7241771","13.6415","0.0017","11.1851","0.0014","32.017","0.004","90","","90","","90","","4885.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H52 Cl4 N4 O4 -","- C59 H52 Cl4 N4 O4 -","- C236 H208 Cl16 N16 O16 -","4","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0737","0.0631","","","0.1729","0.1887","","","","","","1.288","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241896","13.2356","0.0008","7.1744","0.0004","25.3234","0.0016","90","","90","","90","","2404.6","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","","Pham, Quyen T.; Le, Phong Q.; Dang, Ha V.; Ha, Hiep Q.; Nguyen, Huong T. D.; Truong, Thanh; Le, Tri Minh","Iodine-mediated formal [3 + 2] annulation for synthesis of furocoumarin from oxime esters","RSC Advances","2020","10","72","44332","44338","10.1039/D0RA07566C","","","0.71073","MoKα","","0.0962","0.0519","","","0.1","0.1165","","","","","","1.0693","","","","has coordinates","260013","2020-12-19","06:03:21",""
"7241904","14.8493","0.0011","14.498","0.001","16.5461","0.0012","90","","90","","90","","3562.1","0.4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-zinc]","","- C13 H12 Fe N10 O Zn -","- C13 H12 Fe N10 O Zn -","- C104 H96 Fe8 N80 O8 Zn8 -","8","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.122","0.0492","","","0.0928","0.1048","","","","","","0.762","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241916","9.126","0.002","8.627","0.002","28.397","0.002","90","","90","","90","","2235.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.63","synchrotron","","0.0292","0.0244","","","0.0626","0.0735","","","","","","1.287","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241920","8.857","0.0018","8.675","0.0017","27.435","0.006","90","","90","","90","","2108","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.7","synchrotron","","0.0811","0.0626","","","0.1602","0.177","","","","","","1.082","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241932","11.616","0.0004","20.6335","0.0007","23.3007","0.0007","90","","90","","90","","5584.7","0.3","149.99","","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H21 F9 N2 O4 -","- C29 H21 F9 N2 O4 -","- C232 H168 F72 N16 O32 -","8","1","","Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua","Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives","RSC Advances","2021","11","1","15","22","10.1039/D0RA09209F","","","1.54178","CuKα","","0.0842","0.0743","","","0.1974","0.2085","","","","","","1.049","","","","has coordinates","260111","2020-12-23","05:26:26",""
"7241964","28.0408","0.0006","17.385","0.0003","7.88582","0.00016","90","","90","","90","","3844.25","0.13","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) tribromoplumbate","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 Br3 N2 Pb -","- C14 H19 Br3 N2 Pb -","- C112 H152 Br24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","14.2","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241965","28.8862","0.0004","18.133","0.0002","8.02619","0.0001","90","","90","","90","","4204.07","0.09","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) triiodoplumbate, alpha phase","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C112 H152 I24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","9.9","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7242053","15.1069","0.0018","10.2825","0.0011","20.87","0.002","90","","90","","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N3 O8 S -","- C14 H16 Cu N3 O8 S -","- C112 H128 Cu8 N24 O64 S8 -","8","1","","Zhu, Jin-Long; Zhu, Peizhi; Chen, Hai-Tao; Yan, Min; Zhang, Kou-Lin","Distinct solvent-dependent luminescence sensing property of a newly constructed Cu(ii)‒organic framework","CrystEngComm","2021","23","9","1929","1941","10.1039/D0CE01724H","","","0.71073","MoKα","","0.0477","0.0356","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","263725","2021-04-05","14:34:36",""
"7242163","9.448","0.007","11.423","0.009","30.49","0.02","90","","90","","90","","3291","4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C120 H176 N16 O32 -","8","1","","Morita, Shunya; Yoshimura, Tomoyuki; Matsuo, Jun-ichi","Catalytic intermolecular aldol reactions of transient amide enolates in domino Michael/aldol reactions of nitroalkanes, acrylamides, and aldehydes","Green Chemistry","2021","23","3","1160","1164","10.1039/D0GC04111D","","","0.71075","MoKα","","0.2338","0.1122","","","0.233","0.2951","","","","","","1.107","","","","has coordinates","262665","2021-03-05","02:12:38",""
"7242245","9.3818","0.0002","7.9318","0.0001","33.2918","0.0006","90","","90","","90","","2477.39","0.08","277","2","277","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Ag Br Cl N3 O4 -","- C8 H6 Ag Br Cl N3 O4 -","- C64 H48 Ag8 Br8 Cl8 N24 O32 -","8","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0403","0.034","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242290","18.8689","0.0003","13.4662","0.0002","28.4268","0.0005","90","","90","","90","","7223","0.2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H39 Br N2 O2 P Re -","- C38 H39 Br N2 O2 P Re -","- C304 H312 Br8 N16 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0228","0.0204","","","0.0516","0.0528","","","","","","1.024","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242315","13.3082","0.0008","11.9672","0.0008","17.9425","0.0011","90","","90","","90","","2857.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 I2 N2 -","- C10 H20 I2 N2 -","- C80 H160 I16 N16 -","8","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.045","0.0314","","","0.0415","0.0437","","","","","","1.118","","","","has coordinates","263737","2021-04-05","14:37:07",""
"7242374","15.458","0.002","14.634","0.003","23.965","0.004","90","","90","","90","","5421.2","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H48 N16 O8 Zn4 -","- C50 H48 N16 O8 Zn4 -","- C200 H192 N64 O32 Zn16 -","4","0.5","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.1335","0.0803","","","0.2361","0.2794","","","","","","1.108","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242405","15.138","0.003","10.099","0.002","22.516","0.007","90","","90","","90","","3442.2","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H32 Br2 N6 O4 S2 -","- C36 H32 Br2 N6 O4 S2 -","- C144 H128 Br8 N24 O16 S8 -","4","0.5","","Jiang, Shuai; Cao, Wen-Bin; Li, Hai-Yan; Xu, Xiao-Ping; Ji, Shun-Jun","Convenient synthesis of spiroindolenines from tryptamine-derived isocyanides and organic azides by cobalt catalysis in pure water","Green Chemistry","2021","23","7","2619","2623","10.1039/D1GC00270H","","","0.71073","MoKα","","0.1204","0.0555","","","0.1415","0.1881","","","","","","1.061","","","","has coordinates","264912","2021-05-05","08:49:25",""
"7242483","16.0449","0.0001","17.5436","0.0001","20.4435","0.0001","90","","90","","90","","5754.54","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Br2 Zr -","- C32 H42 Br2 Zr -","- C256 H336 Br16 Zr8 -","8","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","","1.54184","CuKα","","0.0314","0.0293","","","0.0774","0.0794","","","","","","1.041","","","","has coordinates","263202","2021-03-20","05:31:05",""
"7242507","6.3178","0.0002","19.3847","0.0008","27.9152","0.0011","90","","90","","90","","3418.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0889","0.0627","","","0.1516","0.171","","","","","","1.109","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242508","18.542","0.004","14.847","0.003","27.876","0.006","90","","90","","90","","7674","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 N4 Ni2 O12 -","- C36 H28 N4 Ni2 O12 -","- C288 H224 N32 Ni16 O96 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0512","0.0491","","","0.1611","0.1641","","","","","","1.021","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242547","25.2955","0.0018","11.9432","0.0009","34.778","0.002","90","","90","","90","","10506.8","1.2","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 Br2 F2 O2 -","- C30 H20 Br2 F2 O2 -","- C480 H320 Br32 F32 O32 -","16","2","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0523","0.0336","","","0.068","0.0741","","","","","","1.016","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242597","13.0833","0.0003","7.64625","0.00015","24.185","0.0005","90","","90","","90","","2419.42","0.09","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0478","0.0377","","","0.0943","0.1038","","","","","","1.039","","","","has coordinates","265939","2021-06-05","18:07:04",""
"7242676","13.3682","0.0005","7.2588","0.0003","26.6061","0.001","90","","90","","90","","2581.78","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl O3 S -","- C14 H11 Cl O3 S -","- C112 H88 Cl8 O24 S8 -","8","1","","Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu","Oxy-sulfonylation of terminal alkynes via C‒S coupling enabled by copper photoredox catalysis","Green Chemistry","2021","23","10","3569","3574","10.1039/D1GC00736J","","","0.71073","MoKα","","0.0335","0.0295","","","0.0744","0.0771","","","","","","1.043","","","","has coordinates","266113","2021-06-05","19:11:45",""
"7242691","10.0422","0.0006","22.1419","0.0014","26.2315","0.0015","90","","90","","90","","5832.7","0.6","298.08","","298.08","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H33 N O6 -","- C32 H33 N O6 -","- C256 H264 N8 O48 -","8","1","","Thangamani, Murugesan; Thangamalar, Subaramaniam; Srinivasan, Kannupal","Tin(iv) chloride mediated (3 + 2) annulation of trans-2-aroyl-3-styrylcyclopropane-1,1-dicarboxylates with nitriles: diastereoselective access to 5-vinyl-1-pyrroline derivatives","RSC Advances","2021","11","25","14980","14985","10.1039/D1RA01194D","","","0.71073","MoKα","","0.1641","0.0723","","","0.1645","0.2208","","","","","","1.012","","","","has coordinates,has disorder","264390","2021-04-22","04:24:05",""
"7242745","12.1026","0.0004","16.5399","0.0008","19.7752","0.0007","90","","90","","90","","3958.5","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O6 Zn -","- C21 H18 N2 O6 Zn -","- C168 H144 N16 O48 Zn8 -","8","1","","Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu","A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","22","4059","4068","10.1039/D1CE00323B","","x-ray","0.71073","MoKα","","0.1049","0.0656","","","0.158","0.186","","","","","","1.028","","","","has coordinates","267119","2021-07-05","17:09:17",""
"7242754","21.034","0.0016","8.2876","0.0006","25.1217","0.0019","90","","90","","90","","4379.2","0.6","172","2","171.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Co F6 N4 O4 P -","- C14 H16 Co F6 N4 O4 P -","- C112 H128 Co8 F48 N32 O32 P8 -","8","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0411","0.0319","","","0.0935","0.0976","","","","","","1.039","","","","has coordinates","264851","2021-05-05","04:10:44",""
"7242769","19.7195","0.0004","8.9435","0.0002","37.5526","0.001","90","","90","","90","","6622.8","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.0608","0.0473","","","0.0888","0.0922","","","","","","1.154","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242770","19.7647","0.0007","8.9121","0.0004","38.0935","0.0015","90","","90","","90","","6710","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2_Hex","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.1142","0.0906","","","0.1879","0.1956","","","","","","1.285","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242831","7.42","0.0004","17.8302","0.001","35.8919","0.0019","90","","90","","90","","4748.5","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C192 H128 F24 I24 N16 -","8","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0507","0.0358","","","0.0712","0.0768","","","","","","1.009","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242863","19.899","0.003","18.907","0.003","25.949","0.004","90","","90","","90","","9763","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H36 Cl Co4 N11 O10 S4 -","- C41 H36 Cl Co4 N11 O10 S4 -","- C328 H288 Cl8 Co32 N88 O80 S32 -","8","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0574","0.0348","","","0.0666","0.0742","","","","","","1.035","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242925","18.6","0.002","9.7722","0.001","28.091","0.006","90","","90","","90","","5105.9","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H58 Cl2 N4 O6 S10 -","- C36 H57.9988 Cl2 N4 O6 S9.9998 -","- C144 H231.995 Cl8 N16 O24 S39.9992 -","4","0.5","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","x-ray","0.71073","MoKα","","0.2347","0.0998","","","0.2187","0.2941","","","","","","0.901","","","","has coordinates,has disorder","265534","2021-05-27","04:33:16",""
"7242940","9.8042","0.0002","15.4073","0.0004","52.7317","0.0011","90","","90","","90","","7965.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N-Bis(4,5-diphenyl-8-dimethylaminonaphth-1-methylidene)-1,2-ethanediamine,","","- C52 H46 N4 -","- C52 H46 N4 -","- C416 H368 N32 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0752","0.0524","","","0.1278","0.1423","","","","","","1.024","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7243065","18.517","0.0002","6.9182","0.0001","38.2895","0.0004","90","","90","","90","","4905.05","0.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C256 H176 N16 O64 -","16","2","","Bashir, Muhammad Adnan; Zhang, Yulong; Yu, Huaibin; Wang, Bofei; Zhao, Weining; Zhong, Fangrui","Bimetallic copper/cobalt-cocatalyzed double aerobic phenol oxidation/cyclization toward π-extended benzofuro[2,3-b]indoles as electron donors for electroluminescence","Green Chemistry","2021","23","14","5031","5036","10.1039/D1GC01658J","","x-ray","1.54184","CuKα","","0.039","0.037","","","0.095","0.0966","","","","","","1.046","","","","has coordinates","268825","2021-09-06","11:48:00",""
"7243106","7.2917","0.0001","10.6849","0.0001","17.7929","0.0002","90","","90","","90","","1386.26","0.03","150.5","0.7","150.5","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nickel bisdimetylaminopropanoto","","- C12 H28 N2 Ni O2 -","- C12 H28 N2 Ni O2 -","- C48 H112 N8 Ni4 O8 -","4","0.5","","Wilson, Rachel L.; Macdonald, Thomas J.; Lin, Chieh-Ting; Xu, Shengda; Taylor, Alaric; Knapp, Caroline E.; Guldin, Stefan; McLachlan, Martyn A.; Carmalt, Claire J.; Blackman, Chris S.","Chemical vapour deposition (CVD) of nickel oxide using the novel nickel dialkylaminoalkoxide precursor [Ni(dmamp′)2] (dmamp′ = 2-dimethylamino-2-methyl-1-propanolate)","RSC Advances","2021","11","36","22199","22205","10.1039/D1RA03263A","","x-ray","1.54184","CuKα","","0.0224","0.0209","","","0.0566","0.0582","","","","","","1.094","","","","has coordinates","266662","2021-06-24","04:13:10",""
"7243172","15.5085","0.0008","14.6844","0.0006","18.0637","0.0009","90","","90","","90","","4113.7","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(μ-hydroxo)tetrakis(sarcosinato)dicobalt(iii)","","- C12 H30 Co2 N4 O12 -","- C12 H30 Co2 N4 O12 -","- C96 H240 Co16 N32 O96 -","8","1","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0697","0.0424","","","0.0814","0.0909","","","","","","1.024","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243197","12.6981","0.0001","15.8799","0.0002","21.2754","0.0002","90","","90","","90","","4290.07","0.08","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Mo N2 O S4 -","- C17 H24 Mo N2 O S4 -","- C136 H192 Mo8 N16 O8 S32 -","8","1","","Dille, Sara A.; Colston, Kyle J.; Ratvasky, Stephen C.; Pu, Jingzhi; Basu, Partha","Interligand communication in a metal mediated LL′CT system ‒ a case study","RSC Advances","2021","11","39","24381","24386","10.1039/D1RA04716G","","","0.71073","MoKα","","0.0887","0.0406","","","0.0827","0.0998","","","","","","1.029","","","","has coordinates,has disorder","267485","2021-07-13","04:34:02",""
"7243358","11.774","0.0009","12.4266","0.0012","17.269","0.002","90","","90","","90","","2526.6","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(2-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0759","0.0589","","","0.152","0.1682","","","","","","1.033","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243359","12.7104","0.0007","10.0355","0.0005","23.7593","0.0016","90","","90","","90","","3030.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(3-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0411","0.0327","","","0.0856","0.09","","","","","","1.06","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243360","6.0734","0.0004","15.4472","0.001","27.066","0.002","90","","90","","90","","2539.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(3-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0816","0.0852","","","","","","1.03","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243361","15.6551","0.0011","11.7852","0.0007","16.3034","0.0008","90","","90","","90","","3008","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(2-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0355","0.0321","","","0.0837","0.086","","","","","","1.049","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243373","19.1729","0.0001","5.8157","0.0001","22.9536","0.0001","90","","90","","90","","2559.41","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.039","0.019","","","","0.042","0.019","","","","","1.009","","","","has coordinates","269686","2021-10-06","14:53:55",""
"7243374","19.157","0.006","5.791","0.002","22.956","0.007","90","","90","","90","","2546.7","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.25","neutron","","0.0957","0.0886","","","0.2142","0.2274","","","","","","1.048","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243398","16.5878","0.0005","9.2549","0.0003","20.0075","0.0006","90","","90","","90","","3071.52","0.16","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C152 H160 N16 -","8","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0529","0.0398","","","0.09","0.0972","","","","","","1.056","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243415","9.7481","0.0005","9.6628","0.0004","30.3545","0.0014","90","","90","","90","","2859.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N5 O S -","- C13 H15 N5 O S -","- C104 H120 N40 O8 S8 -","8","1","","Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones","RSC Advances","2021","11","45","28395","28400","10.1039/D1RA05568B","","","0.71073","MoKα","","0.0723","0.0418","","","0.0926","0.1106","","","","","","1.04","","","","has coordinates","268180","2021-08-24","01:18:52",""
"7243477","23.728","0.003","13.165","0.002","30.085","0.006","90","","90","","90","","9398","3","175","2","175","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H12 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.0562","0.0456","","","0.1368","0.1425","","","","","","1.052","","","","has coordinates","268482","2021-09-04","19:55:38",""
"7243527","17.1434","0.0016","14.9459","0.0014","18.1606","0.0017","90","","90","","90","","4653.2","0.8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Mo(CO)2(NO)(iPr3tacn)]PF6","","- C17 H33 F6 Mo N4 O3 P -","- C17 H33 F6 Mo N4 O3 P -","- C136 H264 F48 Mo8 N32 O24 P8 -","8","1","","Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes; Nagel, Christoph; Marquetand, Philipp; Schatzschneider, Ulrich; González, Leticia; Nuernberger, Patrick","Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03514B","","","0.71073","MoKα","","0.0304","0.0223","","","0.0469","0.0536","","","","","","1.0102","","","","has coordinates,has disorder","269172","2021-09-17","00:36:34",""
"7243530","10.4747","0.0002","16.568","0.0004","23.0336","0.0005","90","","90","","90","","3997.36","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cu F2 I N3 -","- C18 H17 Cu F2 I N3 -","- C144 H136 Cu8 F16 I8 N24 -","8","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0495","0.0393","","","0.108","0.116","","","","","","1.06","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243556","9.4839","0.0005","9.0436","0.0005","22.4984","0.0013","90","","90","","90","","1929.66","0.18","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C32 H32 N80 O40 -","8","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.1104","0.0472","","","0.0964","0.1313","","","","","","1.142","","","","has coordinates","271165","2021-12-07","03:04:07",""
"7243649","12.8826","0.0006","9.2515","0.0005","28.4963","0.0012","90","","90","","90","","3396.3","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluxapyroxad","","","- C18 H12 F5 N3 O -","- C18 H12 F5 N3 O -","- C144 H96 F40 N24 O8 -","8","1","","Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas","Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides","Green Chemistry","2021","","","","","10.1039/D1GC02602J","","","1.54178","CuKα","","0.1054","0.051","","","0.0997","0.1203","","","","","","1.021","","","","has coordinates,has disorder","269414","2021-09-30","23:48:58",""
"7243661","8.6083","0.0006","21.2446","0.0019","33.276","0.003","90","","90","","90","","6085.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N7 O7 S -","- C30 H35 N7 O7 S -","- C240 H280 N56 O56 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0766","0.0557","","","0.1408","0.1553","","","","","","1.033","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243769","11.5492","0.0005","7.5883","0.0004","31.0045","0.0014","90","","90","","90","","2717.2","0.2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C128 H96 F8 N8 O16 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0557","0.0385","","","0.0853","0.0907","","","","","","1.029","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243813","12.842","0.0006","14.8998","0.0006","16.5728","0.0007","90","","90","","90","","3171.1","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N10 Ni -","- C12 H20 N10 Ni -","- C96 H160 N80 Ni8 -","8","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0557","0.0485","","","0.1524","0.1623","","","","","","1.079","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243887","17.5214","0.0004","16.1843","0.0004","23.4644","0.0006","90","","90","","90","","6653.8","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H86 Ag2 Mo8 N8 O26 -","- C42 H86 Ag2 Mo8 N8 O26 -","- C168 H344 Ag8 Mo32 N32 O104 -","4","0.5","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0471","0.0505","","","","","","1.047","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243892","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.6","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243896","8.65981","0.00014","17.7339","0.0002","27.7046","0.0004","90","","90","","90","","4254.66","0.1","293.41","0.1","293.41","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C184 H176 N32 O16 S8 -","8","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei","Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions","Green Chemistry","2021","23","23","9571","9576","10.1039/D1GC03048E","","x-ray","1.54184","CuKα","","0.0509","0.0411","","","0.1066","0.1142","","","","","","1.037","","","","has coordinates","271851","2022-01-06","21:31:04",""
"7243899","20.6112","0.0006","17.9832","0.0005","25.1758","0.0008","90","","90","","90","","9331.5","0.5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H20 Eu F21 N2 O6 S3 -","- C42 H20 Eu F21 N2 O6 S3 -","- C336 H160 Eu8 F168 N16 O48 S24 -","8","1","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0778","0.0704","","","0.1583","0.1631","","","","","","1.1","","","","has coordinates,has disorder","270594","2021-11-11","02:07:14",""
"7243909","16.7706","0.0005","9.876","0.0003","30.6219","0.0009","90","","90","","90","","5071.8","0.3","165","","165","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.099","0.0796","","","0.188","0.1986","","","","","","1.119","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243910","16.955","0.003","9.9034","0.0015","30.69","0.006","90","","90","","90","","5153.2","1.6","255","","255","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1519","0.0645","","","0.1437","0.1887","","","","","","1.014","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243911","16.8821","0.001","9.894","0.0005","30.6933","0.0019","90","","90","","90","","5126.7","0.5","225","","225","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1222","0.0773","","","0.2072","0.2385","","","","","","1.084","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243912","17.015","0.006","9.93","0.003","30.709","0.008","90","","90","","90","","5189","3","270","","270","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1511","0.0652","","","0.146","0.1927","","","","","","1.02","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243913","16.9294","0.0017","9.9015","0.0008","30.714","0.003","90","","90","","90","","5148.5","0.8","240","","240","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1608","0.064","","","0.1591","0.2297","","","","","","1.057","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243914","17.064","0.002","9.9101","0.0012","30.823","0.004","90","","90","","90","","5212.4","1.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.171","0.0712","","","0.1615","0.2135","","","","","","1.024","","","","has coordinates","272622","2022-02-04","19:22:45",""
"7243915","16.988","0.004","9.9204","0.0018","30.779","0.006","90","","90","","90","","5187.1","1.8","285","","285","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1616","0.0671","","","0.1496","0.1989","","","","","","1.019","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243916","16.8302","0.0004","9.886","0.0002","30.6702","0.0008","90","","90","","90","","5103","0.2","195","","195","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0957","0.0704","","","0.1609","0.1735","","","","","","1.118","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243917","16.856","0.0004","9.8906","0.0003","30.6845","0.0009","90","","90","","90","","5115.6","0.2","210","","210","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1036","0.0758","","","0.1725","0.1848","","","","","","1.134","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243918","16.8024","0.0004","9.8815","0.0002","30.6532","0.0008","90","","90","","90","","5089.4","0.2","180","","180","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0932","0.0704","","","0.1578","0.1696","","","","","","1.102","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7244000","10.7762","0.0009","7.7571","0.0007","35.821","0.003","90","","90","","90","","2994.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 Fe N S -","- C19 H15 Fe N S -","- C152 H120 Fe8 N8 S8 -","8","1","","Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip","Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker","RSC Advances","2021","11","61","38804","38813","10.1039/D1RA08186A","","","0.71073","MoKα","","0.0761","0.0473","","","0.0862","0.094","","","","","","1.087","","","","has coordinates","271103","2021-12-04","02:18:33",""
"7244011","7.078","0.007","9.187","0.009","18.233","0.018","90","","90","","90","","1186","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H12 B N -","- C4 H12 B N -","- C32 H96 B8 N8 -","8","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.1547","0.0853","","","0.1888","0.2279","","","","","","1.079","","","","has coordinates","271137","2021-12-06","22:27:49",""
"7244014","20.3991","0.0005","15.4857","0.0003","30.0422","0.0005","90","","90","","90","","9490.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56.25 H45.25 N10.75 O1.75 -","- C51 H33 N9 -","- C408 H264 N72 -","8","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","1.34143","GaKα","","0.0746","0.0515","","","0.152","0.1612","","","","","","0.964","","","","has coordinates","272639","2022-02-04","19:27:25",""
"7244200","10.1928","0.0005","14.8794","0.0006","19.0803","0.0008","90","","90","","90","","2893.8","0.2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 F N2 O8 Re2 -","- C8 H17 F N2 O8 Re2 -","- C64 H136 F8 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0201","0.0159","","","0.0327","0.0338","","","","","","1.075","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244201","10.236","0.0013","14.7742","0.0019","19.084","0.002","90","","90","","90","","2886","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 N2 O8 Re2 -","- C8 H18 N2 O8 Re2 -","- C64 H144 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.05","0.0399","","","0.094","0.1002","","","","","","1.083","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244217","14.5128","0.0014","12.7676","0.0011","32.102","0.003","90","","90","","90","","5948.3","0.9","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H25 Cl2 Co N5 -","- C10 H25 Cl2 Co N5 -","- C160 H400 Cl32 Co16 N80 -","16","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0742","0.0416","","","0.0836","0.0958","","","","","","1.034","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244226","8.1236","0.0001","14.0468","0.0002","16.9496","0.0003","90","","90","","90","","1934.13","0.05","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0362","0.0345","","","0.0967","0.098","","","","","","1.107","","","","has coordinates","272111","2022-01-18","23:32:59",""
"7244228","8.1294","0.0002","14.0393","0.0003","16.9502","0.0003","90","","90","","90","","1934.54","0.07","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0287","0.0275","","","0.072","0.0728","","","","","","1.115","","","","has coordinates","272111","2022-01-18","23:33:00",""
"7244232","8.16082","0.00019","14.265","0.0003","17.0946","0.0004","90","","90","","90","","1990.05","0.08","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0607","0.0568","","","0.1648","0.1694","","","","","","1.1","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244357","5.9329","0.0003","23.0822","0.0012","30.2786","0.0016","90","","90","","90","","4146.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 I4 N4 -","- C44 H38 I4 N4 -","- C176 H152 I16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0406","0.0274","","","0.0509","0.0578","","","","","","1.126","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244358","5.8699","0.0002","22.6993","0.0009","29.706","0.0014","90","","90","","90","","3958.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Br4 N4 -","- C44 H38 Br4 N4 -","- C176 H152 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0943","0.0514","","","0.0783","0.0878","","","","","","1.046","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244427","19.10688","0.00011","9.75754","0.00006","26.37158","0.00016","90","","90","","90","","4916.62","0.05","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl5 Cu N2 S -","- C22 H23 Cl5 Cu N2 S -","- C176 H184 Cl40 Cu8 N16 S8 -","8","1","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","","1.54184","CuKα","","0.0539","0.0513","","","0.0988","0.1001","","","","","","1.098","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244473","15.9766","0.0002","16.842","0.0003","22.9222","0.0004","90","","90","","90","","6167.86","0.17","298","0.2","298","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N8 O6 Zn2 -","- C30 H28 N8 O6 Zn2 -","- C240 H224 N64 O48 Zn16 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.0847","0.0452","","","0.1168","0.1419","","","","","","1.031","","","","has coordinates","273117","2022-02-22","23:38:26",""
"7244475","7.6004","0.0003","14.1706","0.0005","20.2294","0.0008","90","","90","","90","","2178.75","0.14","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cu F N O4 -","- C10 H10 Cu F N O4 -","- C80 H80 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0425","0.0323","","","0.1197","0.1302","","","","","","1.016","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244476","7.7611","0.0012","14.453","0.002","20.556","0.003","90","","90","","90","","2305.8","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cu F N O4 -","- C11 H12 Cu F N O4 -","- C88 H96 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0509","0.032","","","0.0776","0.0852","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244523","12.6825","0.0003","14.325","0.0004","26.5675","0.0006","90","","90","","90","","4826.7","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H25 N3 O6 -","- C26 H25 N3 O6 -","- C208 H200 N24 O48 -","8","1","","Maiti, Debajit; Das, Ranajit; Prabakar, Tejas; Sen, Subhabrata","Blue LED induced solvent-free multicomponent reactions among aryl diazoacetates, pyridine derivatives and maleimides: direct eco-friendly synthesis of densely functionalized itaconimides","Green Chemistry","2022","24","7","3001","3008","10.1039/D1GC03546K","","","0.71073","MoKα","","0.1499","0.1071","","","0.288","0.3348","","","","","","1.068","","","","has coordinates","274995","2022-05-05","20:38:32",""
"7244542","16.3085","0.0004","7.9252","0.0002","21.384","0.0006","90","","90","","90","","2763.84","0.12","110","","110","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Explorations into the sustainable synthesis of cyclic and polymeric carbonates and thiocarbonates from eugenol-derived monomers and their reactions with CO2, COS, or CS2","Green Chemistry","2022","24","6","2535","2541","10.1039/D2GC00327A","","","1.54178","CuKα","","0.074","0.0719","","","0.1937","0.1962","","","","","","1.073","","","","has coordinates","274992","2022-05-05","20:37:57",""
"7244563","10.1026","0.0005","27.1594","0.0013","36.7299","0.0017","90","","90","","90","","10078","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H26 Cl2 F12 O4 P2 Pd -","- C42 H26 Cl2 F12 O4 P2 Pd -","- C336 H208 Cl16 F96 O32 P16 Pd8 -","8","1","","Herrera, Daniel; Peral, Daniel; Bayón, J. Carles","Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group","RSC Advances","2022","12","12","7103","7114","10.1039/D2RA00420H","","","0.71073","MoKα","","0.1889","0.0832","","","0.2291","0.2908","","","","","","1.028","","","","has coordinates,has disorder","273218","2022-03-03","02:17:07",""
"7244578","14.045","0.003","12.833","0.003","17.198","0.003","90","","90","","90","","3099.8","1.1","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0893","0.0507","","","0.1258","0.1366","","","","","","0.904","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244607","13.0134","0.0001","23.6265","0.0002","43.3575","0.0004","90","","90","","90","","13330.7","0.2","100","0.02","100","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Triphenylantimony dichloride","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C576 H480 Cl64 Sb32 -","32","4","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","x-ray","1.54184","CuKα","","0.0267","0.024","","","0.06","0.0618","","","","","","1.071","","","","has coordinates","273714","2022-03-16","01:48:43",""
"7244647","10.024","0.0006","11.6716","0.0008","19.0849","0.0012","90","","90","","90","","2232.9","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H13 Au N3 P S -","- C7 H13 Au N3 P S -","- C56 H104 Au8 N24 P8 S8 -","8","1","","Blasco, Daniel; Rodríguez-Castillo, María; Olmos, M. Elena; Monge, Miguel; López-de-Luzuriaga, José M.","Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand","RSC Advances","2022","12","14","8466","8473","10.1039/D2RA00368F","","x-ray","0.71073","MoKα","","0.0176","0.0173","","","0.0464","0.0466","","","","","","1.104","","","","has coordinates","273771","2022-03-18","02:16:57",""
"7244666","16.277","0.003","14.959","0.003","19.366","0.004","90","","90","","90","","4715.4","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C224 H192 O40 -","8","1","","Chen, Li; Niu, Shengtong; Lan, Shouang; Liu, Wenjun; Yang, Shuang; Fang, Xinqiang","Organocatalyzed trifunctionalization of alkynyl 1,2-diones for the concise synthesis of acyloxy allylidene malonates and γ-alkylidenebutenolides","Green Chemistry","2022","24","9","3623","3628","10.1039/D2GC00061J","","","0.71073","MoKα","","0.1053","0.0931","","","0.1925","0.2006","","","","","","1.004","","","","has coordinates","275786","2022-06-06","01:47:51",""
"7244679","9.762","0.002","13.32","0.003","23.532","0.006","90","","90","","90","","3059.9","1.2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N24 O26 -","- C13 H14 N24 O26 -","- C52 H56 N96 O104 -","4","0.5","","Sun, Shanhu; Wang, Zhiqiang; Zhang, Haobin; Song, Xiaomin; Jin, Dengyu; Xu, Jinjiang; Sun, Jie","Host-guest Energetic Materials: a Promising Strategy of Incorporating Small Insensitive Molecule into the Lattice Cavities of 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurtzitane to Enhance the Safety on the Premise of Maintaining the Excellent Energy Density","CrystEngComm","2022","","","","","10.1039/D2CE00199C","","","0.71073","MoKα","","0.0695","0.0518","","","0.1236","0.1346","","","","","","1.037","","","","has coordinates,has disorder","274139","2022-03-30","22:40:30",""
"7244758","11.424","0.007","13.039","0.002","25.626","0.005","90","","90","","90","","3817","3","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 O4 P -","- C16 H29 N2 O4 P -","- C128 H232 N16 O32 P8 -","8","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.1467","0.0584","","","0.1427","0.1642","","","","","","0.964","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244807","12.5276","0.0008","24.5907","0.0016","28.4358","0.0019","90","","90","","90","","8760","1","149.99","0.1","149.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H24 N3 O6 S -","- C19 H24 N3 O6 S -","- C304 H384 N48 O96 S16 -","16","2","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1097","0.0688","","","0.1618","0.1961","","","","","","1.055","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244869","12.403","0.0005","7.2153","0.0002","29.2429","0.0012","90","","90","","90","","2616.99","0.17","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","","Yang, Xinjie; Wang, Hao; Zhang, Yanhua; Su, Weike; Yu, Jingbo","Generation of aryl radicals from in situ activated homolytic scission: driving radical reactions by ball milling","Green Chemistry","2022","24","11","4557","4565","10.1039/D2GC00910B","","","0.71073","MoKα","","0.0498","0.0415","","","0.1042","0.1113","","","","","","1.084","","","","has coordinates","276626","2022-07-06","08:13:07",""
"7244963","5.64","0.02","23.42","0.1","24.97","0.09","90","","90","","90","","3298","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 O2 S -","- C17 H20 O2 S -","- C136 H160 O16 S8 -","8","1","","Sharma, Deepak; Hussain, Yaseen; Sharma, Manisha; Chauhan, Pankaj","Electrochemical cascade synthesis of α-thio-substituted masked aldehydes","Green Chemistry","2022","24","12","4783","4788","10.1039/D2GC00845A","","","0.71073","MoKα","","0.1141","0.0654","","","0.1669","0.212","","","","","","1.071","","","","has coordinates","276631","2022-07-06","08:13:42",""
"7245010","17.3469","0.001","11.0693","0.0007","25.0564","0.0014","90","","90","","90","","4811.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.069","0.0503","","","0.1223","0.1375","","","","","","1.023","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245032","8.8271","0.0011","13.4405","0.0014","18.04","0.002","90","","90","","90","","2140.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Br2 N4 O2 -","- C20 H26 Br2 N4 O2 -","- C80 H104 Br8 N16 O8 -","4","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","1.54178","CuKα","","0.1382","0.1041","","","0.2452","0.2709","","","","","","1.015","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245096","12.911","0.0007","14.3489","0.0008","19.9832","0.0011","90","","90","","90","","3702.1","0.4","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.049","0.0343","","","0.074","0.0795","","","","","","1.113","","","","has coordinates","276203","2022-06-23","22:40:19",""
"7245098","12.7246","0.0007","14.1746","0.0007","19.8726","0.0011","90","","90","","90","","3584.3","0.3","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0235","0.0192","","","0.04","0.0415","","","","","","1.039","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245109","17.6971","0.0003","18.6927","0.0003","20.9582","0.0004","90","","90","","90","","6933.1","0.2","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 I N7 Na O14 -","- C26 H29 I N7 Na O14 -","- C208 H232 I8 N56 Na8 O112 -","8","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0844","0.0638","","","0.1324","0.1443","","","","","","1.039","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245149","11.4353","0.0002","8.3568","0.0001","18.7182","0.0002","90","","90","","90","","1788.76","0.04","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C48 H72 N24 S16 -","8","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","","1.54184","CuKα","","0.044","0.0412","","","0.1197","0.1229","","","","","","1.076","","","","has coordinates","276811","2022-07-22","23:28:41",""
"7245163","10.0404","0.0008","9.926","0.0007","38.902","0.003","90","","90","","90","","3877","0.5","293","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","BUC-92","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C152 H160 Co8 N16 O56 -","8","1","","Wang, Fu-Xue; Zhang, Zi-Chen; Yi, Xiao-Hong; Wang, Chong-Chen; Wang, Peng; Wang, Chao-Yang; Yu, Bao Yi","A micron-sized Co-MOF sheet to active peroxymonosulfate for efficient organic pollutant degradation","CrystEngComm","2022","","","","","10.1039/D2CE00791F","","x-ray","0.71073","MoKα","","0.1231","0.0736","","","0.1745","0.1949","","","","","","1.044","","","","has coordinates","276814","2022-07-22","23:30:41",""
"7245189","8.8424","0.0009","12.5877","0.0012","26.417","0.004","90","","90","","90","","2940.4","0.6","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","Qu, Zhonghua; Tian, Tong; Tan, Yongbo; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen","Redox-neutral ketyl radical coupling/cyclization of carbonyls with N-aryl acrylamides through consecutive photoinduced electron transfer","Green Chemistry","2022","24","19","7403","7409","10.1039/D2GC01966C","","x-ray","0.71073","MoKα","","0.0566","0.0443","","","0.1028","0.1108","","","","","","1.077","","","","has coordinates","278421","2022-10-07","00:55:38",""
"7245239","6.9603","0.0004","18.1475","0.0007","28.0356","0.0012","90","","90","","90","","3541.2","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","roseolumiflavin acetylenedicarboxylic acid","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione but-2-ynedioic acid","","- C18 H17 N5 O6 -","- C18 H17 N5 O6 -","- C144 H136 N40 O48 -","8","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.1082","0.0617","","","0.1391","0.1645","","","","","","0.996","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245256","10.1227","0.0017","19.823","0.002","21.73","0.005","90","","90","","90","","4360.4","1.3","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MSP-348_250K","","","- C24 H28 F2 N2 O -","- C24 H28 F2 N2 O -","- C192 H224 F16 N16 O8 -","8","1","","Rodríguez, Ricardo I.; Sicignano, Marina; García, Montaña J.; Enríquez, Rodrigo G.; Cabrera, Silvia; Alemán, José","Taming photocatalysis in flow: easy and speedy preparation of α-aminoamide derivatives","Green Chemistry","2022","24","17","6613","6618","10.1039/D2GC02087D","","","0.71073","MoKα","","0.1001","0.0504","","","0.1215","0.1445","","","","","","1.042","","","","has coordinates","278419","2022-10-07","00:55:18",""
"7245268","7.3602","0.0003","6.965","0.0003","50.466","0.002","90","","90","","90","","2587.08","0.18","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N O -","- C10.9091 H13.8182 N0.727273 O0.727273 -","- C120 H152 N8 O8 -","11","1.375","","Yamada, Takahiro; Hashimoto, Yoshimitsu; Tanaka, Kosaku; Morita, Nobuyoshi; Tamura, Osamu","Cationic palladium(ii)-catalyzed synthesis of substituted pyridines from α,β-unsaturated oxime ethers","RSC Advances","2022","12","33","21548","21557","10.1039/D2RA03875G","","x-ray","1.54184","CuKα","","0.048","0.0449","","","0.1226","0.1248","","","","","","1.096","","","","has coordinates","277076","2022-08-05","01:05:09",""
"7245291","13.1986","0.0003","9.3685","0.0003","32.0246","0.0009","90","","90","","90","","3959.88","0.19","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl F5 N2 O -","- C21 H16 Cl F5 N2 O -","- C168 H128 Cl8 F40 N16 O8 -","8","1","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0392","0.0351","","","0.0906","0.0934","","","","","","1.045","","","","has coordinates","277197","2022-08-10","22:38:57",""
"7245294","8.2376","0.0005","18.954","0.0012","19.6823","0.0012","90","","90","","90","","3073.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0718","0.0428","","","0.0953","0.1095","","","","","","1.012","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245395","17.3887","0.0009","7.8689","0.0004","23.0857","0.0009","90","","90","","90","","3158.8","0.3","296","0.4","296","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C120 H112 N32 O48 -","8","1","","Gupta, Poonam; Allu, Suryanarayana; Hazarika, Pragyan J.; Ray, Nisha R.; Nangia, Ashwini K.; Nath, Naba K.","Fast and reversible bidirectional photomechanical response displayed by a flexible polycrystalline aggregate of a hydrazone","CrystEngComm","2022","","","","","10.1039/D2CE00829G","","x-ray","0.71073","MoKα","","0.1571","0.057","","","0.1252","0.1698","","","","","","0.982","","","","has coordinates","277511","2022-08-31","22:37:08",""
"7245397","11.5468","0.0016","10.2038","0.0011","22.824","0.003","90","","90","","90","","2689.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","","Dam, Binoyargha; Sahoo, Ashish Kumar; Patel, Bhisma K.","Visible-light-mediated synthesis of β-keto sulfones using g-C3N4 as a recyclable photocatalyst under sustainable conditions","Green Chemistry","2022","24","18","7122","7130","10.1039/D2GC02254K","","","0.71073","MoKα","","0.1411","0.0621","","","0.1496","0.2039","","","","","","1.06","","","","has coordinates","278432","2022-10-07","00:57:22",""
"7245424","14.97434","0.00081","12.37809","0.00044","6.76487","0.00019","90","","90","","90","","1253.89","0.09","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-aminoadenine","2,6-diaminopurine","","- C5 H6 N6 -","- C5 H6 N6 -","- C40 H48 N48 -","8","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","powder diffraction","","0.71073","MoKα","","","","","","","","0.023","","1.97","","","","","","","has coordinates","277605","2022-09-02","22:41:33",""
"7245455","10.6023","0.0003","8.1642","0.0002","35.1366","0.0012","90","","90","","90","","3041.4","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfathiazole, N-methylacetamide solvate","Sulfathiazole, N-methylacetamide (1:1) solvate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0755","0.0444","","","0.0995","0.1109","","","","","","1.031","","","","has coordinates,has disorder","277721","2022-09-07","22:46:08",""
"7245496","9.8199","0.0003","13.2654","0.0004","32.3207","0.0009","90","","90","","90","","4210.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 N2 Zr -","- C24 H36 N2 Zr -","- C192 H288 N16 Zr8 -","8","1","","Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten","Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane","RSC Advances","2022","12","40","26277","26283","10.1039/D2RA04955D","","","0.71073","MoKα","","0.0362","0.0276","","","0.0661","0.0707","","","","","","1.049","","","","has coordinates","277911","2022-09-16","00:18:43",""
"7245552","9.0988","0.0006","8.741","0.0006","27.1654","0.0017","90","","90","","90","","2160.5","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54178","CuKα","","0.0386","0.0354","","","0.095","0.0984","","","","","","1.015","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245626","7.5776","0.0001","14.7143","0.0002","17.7153","0.0003","90","","90","","90","","1975.24","0.05","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5-dibromo-1-methyl-2-(prop-2-yn-1-yl)-1,2-dihydropyridazine-3,6-dione","","- C8 H6 Br2 N2 O2 -","- C8 H6 Br2 N2 O2 -","- C64 H48 Br16 N16 O16 -","8","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0273","0.0207","","","0.0457","0.048","","","","","","1.067","","","","has coordinates","278375","2022-10-06","00:58:42",""
"7245722","11.0002","0.0006","9.8052","0.0007","34.289","0.002","90","","90","","90","","3698.4","0.4","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Terpy_naph","","- C25 H17 N3 -","- C25 H17 N3 -","- C200 H136 N24 -","8","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.1125","0.0638","","","0.1603","0.1974","","","","","","1.056","","","","has coordinates","278822","2022-10-26","22:55:27",""
"7245755","13.7292","0.0001","10.9084","0.0001","14.8292","0.0001","90","","90","","90","","2220.87","0.03","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[Ac-b-cyclopropyl-(R,S)-Ala-OH], 2-(cyclopropylmethyl)-2-acetamidopropanedioic acid hydrate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C72 H120 N8 O48 -","8","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0306","0.0294","","","0.0781","0.0789","","","","","","1.055","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245788","14.2509","0.0003","12.4242","0.0003","18.4753","0.0005","90","","90","","90","","3271.16","0.14","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O6 S -","- C14 H17 N3 O6 S -","- C112 H136 N24 O48 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0663","0.0574","","","0.1448","0.1535","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245790","13.0691","0.0009","12.2502","0.0009","19.5115","0.0018","90","","90","","90","","3123.8","0.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 N7 O6 S2 -","- C24 H37 N7 O6 S2 -","- C96 H148 N28 O24 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0853","0.0577","","","0.1445","0.1674","","","","","","1.056","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245791","13.0361","0.0003","12.2207","0.0002","19.6245","0.0004","90","","90","","90","","3126.38","0.11","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N6 O8 S2 -","- C24 H33 N6 O8 S2 -","- C96 H132 N24 O32 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0869","0.0793","","","0.2495","0.2628","","","","","","1.108","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245792","13.9018","0.0007","12.5517","0.0006","18.8575","0.0008","90","","90","","90","","3290.5","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O3 S -","- C14 H20 N4 O3 S -","- C112 H160 N32 O24 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0371","0.0324","","","0.0823","0.0851","","","","","","1.058","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245899","6.2349","0.0006","19.5174","0.0018","21.975","0.002","90","","90","","90","","2674.1","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H3 N9 O12 -","- C5 H3 N9 O12 -","- C40 H24 N72 O96 -","8","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1281","0.0607","","","0.1246","0.1615","","","","","","1.048","","","","has coordinates,has disorder","279486","2022-11-23","02:23:14",""
"7245906","14.0434","0.0008","12.0064","0.0008","21.0629","0.0013","90","","90","","90","","3551.4","0.4","250.05","0.1","250.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C128 H128 Br16 N16 O32 -","8","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0891","0.0483","","","0.0512","0.0596","","","","","","1.019","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245911","14.0559","0.0003","7.0932","0.0002","14.1687","0.0003","90","","90","","90","","1412.64","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl2 N5 -","- C2 H7 Cl2 N5 -","- C16 H56 Cl16 N40 -","8","1","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0453","0.0366","","","0.0809","0.0846","","","","","","1.15","","","","has coordinates","279551","2022-11-24","23:37:16",""
"7245912","19.883","0.004","7.0318","0.0014","25.673","0.005","90","","90","","90","","3589.4","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C128 H96 N64 O16 S16 -","16","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.3369","0.0633","","","0.0536","0.0942","","","","","","0.704","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245926","17.729","0.002","21.126","0.003","21.855","0.003","90","","90","","90","","8185.6","1.9","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C83 H69 Cd4 N6 O25 -","- C83 H69 Cd4 N6 O25 -","- C332 H276 Cd16 N24 O100 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0814","0.052","","","0.1352","0.1555","","","","","","1.026","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245952","9.1606","0.0016","17.221","0.003","21.778","0.004","90","","90","","90","","3435.6","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N5 S -","- C15 H25 N5 S -","- C120 H200 N40 S8 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0644","0.0584","","","0.1515","0.1574","","","","","","1.053","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245953","10.9568","0.0006","13.7361","0.0007","16.5427","0.0008","90","","90","","90","","2489.7","0.2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N3 S2 -","- C9 H19 N3 S2 -","- C72 H152 N24 S16 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0341","0.03","","","0.0637","0.0652","","","","","","1.153","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245975","12.0771","0.0004","19.0403","0.0007","20.1521","0.0008","90","","90","","90","","4634","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H19 F3 N2 O3 -","- C27 H19 F3 N2 O3 -","- C216 H152 F24 N16 O24 -","8","1","","Prasad, Madavi S.; Bharani, Sankar; Sharief, Syed Mastan; Ravi, Mudavath; Sivaprakash, Murugesan; Borah, Biplob; Chowhan, L. Raju","DABCO-promoted highly diastereo- and regioselective construction of C-3 functionalized spirooxindoles via [3 + 2] cycloaddition of 2-aryl/heteroarylidene-1H-indene-1,3(2H)-diones with N-2,2,2-trifluoroethylisatin ketimines at ambient conditions","RSC Advances","2022","12","54","34941","34945","10.1039/D2RA07141J","","","0.71073","MoKα","","0.1227","0.0447","","","0.0984","0.1421","","","","","","1.106","","","","has coordinates","279757","2022-12-07","02:25:18",""
"7246047","22.636","0.0003","16.7245","0.0002","23.9473","0.0003","90","","90","","90","","9065.9","0.2","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H84 Dy6 N6 O32 -","- C80 H96 Dy6 N8 O32 -","- C320 H384 Dy24 N32 O128 -","4","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.0887","0.0967","","","","","","1.127","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246119","9.7476","0.00016","9.04653","0.00015","34.1643","0.0007","90","","90","","90","","3012.67","0.09","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Kakimoto, Yuna; Ikemura, Ryoya; Imai, Yoshitane; Tohnai, Norimitsu; Yamazaki, Shoko; Nakata, Eiji; Takashima, Hiroshi","Circularly polarised luminescence from excimer emission of anthracene derivatives complexed with γ-cyclodextrin in the solid state","RSC Advances","2023","13","3","1914","1922","10.1039/D2RA07971B","","","1.54184","CuKα","","0.0433","0.041","","","0.1126","0.1155","","","","","","1.046","","","","has coordinates","280295","2023-01-12","01:47:37",""
"7246166","18.0732","0.0003","8.28431","0.00018","20.8875","0.0004","90","","90","","90","","3127.36","0.1","169.99","0.1","169.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C152 H152 N8 O24 -","8","1","","Wei, Wan-Jie; Zhan, Lei; Jiang, Cai-Na; Tang, Hai-Tao; Pan, Ying-Ming; Ma, Xian-Li; Mo, Zu-Yu","Electrochemical oxidative cascade cyclization of olefinic amides and alcohols leading to the synthesis of alkoxylated 4H-3,1-benzoxazines and indolines","Green Chemistry","2023","25","3","928","933","10.1039/D2GC04645H","","x-ray","1.54184","CuKα","","0.0425","0.04","","","0.1012","0.1034","","","","","","1.05","","","","has coordinates","281482","2023-03-04","18:25:33",""
"7246171","13.4269","0.0001","17.485","0.0001","20.6372","0.0002","90","","90","","90","","4844.98","0.07","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H23 B N3 P -","- C28 H23 B N3 P -","- C224 H184 B8 N24 P8 -","8","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0387","0.0358","","","0.0901","0.0921","","","","","","1.03","","","","has coordinates","283499","2023-05-05","03:32:46",""
"7246172","13.4477","0.0001","17.6586","0.0002","20.6374","0.0002","90","","90","","90","","4900.71","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 B F N3 P -","- C28 H22 B F N3 P -","- C224 H176 B8 F8 N24 P8 -","8","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0373","0.0348","","","0.089","0.0908","","","","","","1.048","","","","has coordinates","283499","2023-05-05","03:32:48",""
"7246198","14.866","0.005","16.411","0.005","17.012","0.005","90","0.005","90","0.005","90","0.005","4150","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 Ni O2 S2 Zn -","- C19 H16 N4 Ni O2 S2 Zn -","- C152 H128 N32 Ni8 O16 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0624","0.0685","","","","","","1.014","","","","has coordinates","281455","2023-03-04","18:20:22",""
"7246202","19.4327","0.0011","9.488","0.0006","35.303","0.002","90","","90","","90","","6509.1","0.7","294.72","","294.72","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H54 Co2 N8 O15 S2 -","- C64 H54 Co2 N8 O15 S2 -","- C256 H216 Co8 N32 O60 S8 -","4","0.5","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1054","","","0.2906","0.3188","","","","","","1.074","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246225","7.3756","0.0005","7.4398","0.0005","38.942","0.002","90","","90","","90","","2136.9","0.2","293.01","0.1","293.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.075","0.0543","","","0.1294","0.1406","","","","","","1.108","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246237","16.154","0.002","6.9813","0.001","28.997","0.004","90","","90","","90","","3270.2","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2E,5E)-2-benzylidene-5-(2,3-dimethoxybenzylidene)cyclopentanone","","- C21 H20 O3 -","- C21 H20 O3 -","- C168 H160 O24 -","8","1","","Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad","Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties","RSC Advances","2023","13","7","4476","4494","10.1039/D2RA07681K","","","0.71073","MoKα","","0.0623","0.0547","","","0.1123","0.1161","","","","","","1.159","","","","has coordinates","280776","2023-02-03","02:11:59",""
"7246256","7.8665","0.0002","20.2579","0.0003","22.278","0.0004","90","","90","","90","","3550.19","0.12","170","2","169.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C144 Br16 F96 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0523","0.0471","","","0.1051","0.1074","","","","","","1.188","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246270","17.287","0.0006","15.6308","0.0005","17.7593","0.0006","90","","90","","90","","4798.7","0.3","300.8","0.1","300.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0985","0.0557","","","0.1537","0.1751","","","","","","1.069","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246271","17.1067","0.0007","15.3661","0.0007","17.6923","0.0008","90","","90","","90","","4650.7","0.4","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0683","0.0477","","","0.099","0.1089","","","","","","1.028","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246273","17.3155","0.0008","15.6324","0.0009","17.8689","0.0009","90","","90","","90","","4836.8","0.4","300","0.1","300","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0945","0.0579","","","0.149","0.1759","","","","","","1.025","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246274","17.1801","0.0004","15.4816","0.0005","17.8001","0.0005","90","","90","","90","","4734.4","0.2","200.04","0.1","200.04","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0487","0.0383","","","0.0933","0.0986","","","","","","1.049","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246275","17.346","0.0016","15.8138","0.0015","17.761","0.002","90","","90","","90","","4872","0.8","350","","350.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","","0.71073","MoKα","","0.3809","0.1034","","","0.2335","0.3176","","","","","","0.842","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246359","14.371","0.0002","19.0998","0.0002","23.8664","0.0002","90","","90","","90","","6550.93","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H34 N6 O5 Zn -","- C35 H34 N6 O5 Zn -","- C280 H272 N48 O40 Zn8 -","8","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0558","0.0497","","","0.1412","0.1464","","","","","","1.038","","","","has coordinates,has disorder","284268","2023-06-05","04:26:29",""
"7246396","9.36746","0.00004","18.28656","0.00009","25.0624","0.00012","90","","90","","90","","4293.15","0.03","150","","150","","","","","","","","from U of Wollongong","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Br2 N2 O2 -","- C25 H20 Br2 N2 O2 -","- C200 H160 Br16 N16 O16 -","8","1","","Perry, Matthew J.; Willis, Anthony C.; Bremner, John B.; Keller, Paul A.","An investigation of the allylation cascade reactions of substituted indigos.","RSC advances","2023","13","7","4865","4873","10.1039/d3ra00481c","","x-ray","1.54184","CuKα","","0.0231","0.0226","","0.0556","0.0553","0.0556","","","","","","1.0299","","","","has coordinates","281307","2023-03-04","16:32:34",""
"7246493","8.6581","0.0015","12.1447","0.0018","22.107","0.003","90","","90","","90","","2324.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","1.54178","CuKα","","0.1112","0.0577","","","0.1195","0.1568","","","","","","1","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246610","9.9532","0.0009","24.647","0.002","17.5152","0.0015","90","","90","","90","","4296.8","0.6","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N O3 S Se -","- C23 H18 Br N O3 S Se -","- C184 H144 Br8 N8 O24 S8 Se8 -","8","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.0625","0.0333","","","0.0606","0.0691","","","","","","1.006","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246645","14.6228","0.0003","12.8248","0.0003","20.8582","0.0005","90","","90","","90","","3911.63","0.15","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","1","","Lv, Shuaipeng; Li, Qiannan; Sang, Ji-Wei; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong","Uranyl nitrate as a recyclable homogeneous photocatalyst for selective cross-coupling of N-substituted amines and indoles","RSC Advances","2023","13","18","11929","11937","10.1039/D3RA01037F","","","1.54178","cukα","","0.0833","0.0554","","","0.1294","0.1499","","","","","","1.015","","","","has coordinates","282689","2023-04-18","01:21:19",""
"7246731","19.673","0.007","7.589","0.002","27.281","0.007","90","","90","","90","","4073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O -","- C24 H24 F N3 O -","- C192 H192 F8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1827","0.0749","","","0.1566","0.2194","","","","","","1.034","","","","has coordinates","284914","2023-07-05","10:06:14",""
"7246748","10.4273","0.0003","9.0611","0.0003","30.1865","0.001","90","","90","","90","","2852.11","0.16","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C112 H152 N8 O40 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0714","0.0531","","","0.135","0.1453","","","","","","1.038","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246752","9.8806","0.0018","9.6156","0.0019","25.364","0.006","90","","90","","90","","2409.8","0.9","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C80 H136 N8 O48 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1073","0.0819","","","0.1632","0.1773","","","","","","1.151","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246757","15.3557","0.0007","24.0251","0.001","27.6817","0.0011","90","","90","","90","","10212.4","0.7","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","decaphenylbiphenyl","","- C72 H50 -","- C72 H50 -","- C576 H400 -","8","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.0986","0.0538","","","0.1202","0.1443","","","","","","1.029","","","","has coordinates","284339","2023-06-05","05:00:15",""
"7246857","10.4658","0.0008","9.9343","0.0008","43.524","0.003","90","","90","","90","","4525.2","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N5 O2 -","- C26 H27 N5 O2 -","- C208 H216 N40 O16 -","8","1","","Arias-Gómez, Andres; Macías, Mario A.; Portilla, Jaime","Synthesis of structural analogues of Reversan by ester aminolysis: an access to pyrazolo[1,5-a]pyrimidines from chalcones","RSC Advances","2023","13","24","16377","16386","10.1039/D3RA02553E","","","1.54184","CuKα","","0.0573","0.0537","","","0.1503","0.1551","","","","","","1.041","","","","has coordinates","284116","2023-06-01","01:07:04",""
"7246880","7.5657","0.0015","11.619","0.002","25.402","0.005","90","","90","","90","","2233","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0431","0.0404","","","0.1049","0.1072","","","","","","1.084","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246881","7.3489","0.0015","14.605","0.003","19.983","0.004","90","","90","","90","","2144.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0599","0.0416","","","0.0986","0.109","","","","","","1.05","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246983","5.214","0.0002","23.4393","0.0008","25.016","0.0009","90","","90","","90","","3057.27","0.19","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3,3',4'-tetramethoxy-trans-stilbene","(E)-1-(3,4-dimethoxystyryl)-2,3-dimethoxybenzene","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan","Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent.","Physical chemistry chemical physics : PCCP","2023","25","27","18481","18494","10.1039/d3cp01747h","","x-ray","0.71073","MoKα","","0.0581","0.044","","","0.1121","0.125","","","","","","1.024","","","","has coordinates","285530","2023-08-05","09:36:01",""
"7247049","12.5066","0.0004","14.8096","0.0005","18.3306","0.0007","90","","90","","90","","3395.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0678","0.0466","","","0.1152","0.1278","","","","","","1.063","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247052","10.8564","0.0014","7.7062","0.0009","38.699","0.005","90","","90","","90","","3237.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 F3 N4 O2 -","- C16 H19 F3 N4 O2 -","- C128 H152 F24 N32 O16 -","8","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.19","0.0959","","","0.2089","0.2374","","","","","","1.036","","","","has coordinates,has disorder","286122","2023-09-05","19:44:02",""
"7247095","19.9852","0.0004","7.5581","0.0001","20.2911","0.0004","90","","90","","90","","3064.97","0.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Titenkova, Kseniia; Shuvaev, Alexander D.; Teslenko, Fedor E.; Zhilin, Egor S.; Fershtat, Leonid L.","Empowering strategies of electrochemical N–N bond forming reactions: direct access to previously neglected 1,2,3-triazole 1-oxides","Green Chemistry","2023","25","17","6686","6693","10.1039/D3GC01601C","","","0.71073","MoKα","","0.0687","0.0497","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates,has disorder","286139","2023-09-05","19:56:49",""
"7247101","7.7917","0.0007","10.5981","0.0009","20.3073","0.0018","90","","90","","90","","1676.9","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H10 N10 -","- C5 H10 N10 -","- C40 H80 N80 -","8","1","","Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai","Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials","RSC Advances","2023","13","32","22549","22558","10.1039/D3RA01739G","","","0.71073","MoKα","","0.0814","0.0652","","","0.1575","0.1675","","","","","","1.075","","","","has coordinates","285347","2023-07-26","01:17:26",""
"7247128","7.2928","0.0005","17.0257","0.0009","25.6078","0.0016","90","","90","","90","","3179.6","0.3","296","2","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C120 H120 N24 O48 -","8","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1387","0.0575","","","0.1285","0.1771","","","","","","1.007","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247182","9.3239","0.0007","10.3551","0.0007","30.346","0.002","90","","90","","90","","2929.9","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C128 H112 Br16 N16 -","8","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0476","0.0319","","","0.0583","0.0627","","","","","","1.076","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247203","16.0415","0.001","6.6425","0.0004","44.992","0.003","90","","90","","90","","4794.2","0.5","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C224 H200 N8 O56 -","8","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","0.71073","MoKα","","0.0878","0.067","","","0.1828","0.196","","","","","","1.07","","","","has coordinates,has disorder","286734","2023-10-06","00:04:56",""
"7247392","20.866","0.005","11.513","0.003","29.853","0.006","90","","90","","90","","7172","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H94 Cl2 N16 O6 Pd2 -","- C53 H94 Cl2 N16 O6 Pd2 -","- C212 H376 Cl8 N64 O24 Pd8 -","4","0.5","","Lee, Ming-Yi; Liao, Chih-Hsiang; Hung, Hsiu-Yu; Lee, Jhen-Yi; Lee, Hon Man","Nitron-derivative-based palladium carbene complexes: structural characterization, theoretical calculations, and catalytic applications in the Mizoroki–Heck coupling reaction","RSC Advances","2023","13","39","27434","27445","10.1039/D3RA05016E","","","0.71073","MoKα","","0.1131","0.0688","","","0.1763","0.2035","","","","","","1.102","","","","has coordinates","286335","2023-09-14","01:04:06",""
"7247400","9.59605","0.0001","26.1011","0.0003","37.7873","0.0004","90","","90","","90","","9464.49","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 O30 Yb4 -","- C48 H36 O30 Yb4 -","- C384 H288 O240 Yb32 -","8","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0444","0.0344","","","0.0836","0.086","","","","","","1.076","","","","has coordinates","287348","2023-11-06","07:29:13",""
"7247429","15.7355","0.0006","8.0029","0.0003","31.7701","0.0013","90","","90","","90","","4000.8","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C232 H136 N8 S8 -","8","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.1263","0.0904","","","0.2221","0.2562","","","","","","0.891","","","","has coordinates","287331","2023-11-06","07:21:14",""
"7247528","18.288","0.0005","7.913","0.0002","22.3941","0.0005","90","","90","","90","","3240.72","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","","Chaudhary, Simran; Kędziera, Dariusz; Rafiński, Zbigniew; Dobrzańska, Liliana","Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core","RSC Advances","2023","13","44","30625","30632","10.1039/D3RA05713E","","","1.54184","CuKα","","0.052","0.0382","","","0.0921","0.0989","","","","","","1.033","","","","has coordinates","287035","2023-10-19","01:37:57",""
"7247558","6.6288","0.0002","11.6079","0.0004","29.9883","0.0012","90","","90","","90","","2307.49","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1-dimethyl-7-iodo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B I O2 Si -","- C8 H10 B I O2 Si -","- C64 H80 B8 I8 O16 Si8 -","8","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0804","0.0593","","","0.1166","0.1264","","","","","","1.154","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247610","19.1611","0.0008","20.4125","0.0009","23.7193","0.001","90","","90","","90","","9277.2","0.7","297","2","297","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C47.6 H38.8 Cl F4 Ir N2 O7.3 P -","- C47.6 H38.8 Cl F4 Ir N2 O7.3 P -","- C380.8 H310.4 Cl8 F32 Ir8 N16 O58.4 P8 -","8","1","","Chen, Yi-Sheng; Chiu, Siang-Yu; Li, Chia-Ying; Chen, Tsun-Ren; Chen, Jhy-Der","Ligand effect of cyclometallated iridium(iii) complexes on N-alkylation of amines in hydrogen borrowing reactions","RSC Advances","2023","13","45","31948","31961","10.1039/D3RA07184G","","x-ray","0.71073","MoKα","","0.0535","0.0324","","","0.1027","0.1171","","","","","","1.047","","","","has coordinates,has disorder","287190","2023-11-01","02:30:53",""
"7247630","17.703","0.001","7.827","0.0003","20.1031","0.0011","90","","90","","90","","2785.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Br3 N Pb S -","- C9 H10 Br3 N Pb S -","- C72 H80 Br24 N8 Pb8 S8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1258","0.0667","","","0.1294","0.1604","","","","","","0.911","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247631","22.601","0.002","7.8074","0.0007","24.284","0.002","90","","90","","90","","4285","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br3 P Pb -","- C19 H18 Br3 P Pb -","- C152 H144 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1174","0.0708","","","0.1525","0.1775","","","","","","1.044","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247632","22.297","0.0012","7.948","0.0004","25.2706","0.0011","90","","90","","90","","4478.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 P Pb -","- C20 H20 Br3 P Pb -","- C160 H160 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1182","0.0499","","","0.0769","0.1022","","","","","","0.996","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247736","8.6598","0.0002","12.7026","0.0003","15.575","0.0004","90","","90","","90","","1713.28","0.07","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C64 H24 N40 O32 -","8","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1219","0.1247","","","","","","1.059","","","","has coordinates","288796","2024-01-06","08:00:05",""
"7247754","9.7958","0.0004","7.7989","0.0003","14.7319","0.0006","90","","90","","90","","1125.47","0.08","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1069","","","","","","1.028","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247789","7.0705","0.0006","16.8461","0.0016","32.575","0.003","90","","90","","90","","3880","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H18 F3 N S -","- C23 H18 F3 N S -","- C184 H144 F24 N8 S8 -","8","1","","Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit","Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles","Green Chemistry","2024","26","1","448","455","10.1039/D3GC03702A","","x-ray","0.71073","MoKα","","0.0553","0.0507","","","0.1272","0.1296","","","","","","1.151","","","","has coordinates","289565","2024-02-04","12:16:46",""
"7247790","8.6333","0.0007","10.6401","0.0007","24.273","0.002","90","","90","","90","","2229.7","0.3","113","2","113.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.069","0.0518","","","0.1125","0.126","","","","","","1.063","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247812","17.5665","0.0004","7.4508","0.0002","22.164","0.0005","90","","90","","90","","2900.92","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0816","0.0708","","","0.1064","0.1091","","","","","","1.07","","","","has coordinates","289452","2024-02-04","11:40:26",""
"7247841","12.4347","0.0005","7.204","0.0003","33.7027","0.0013","90","","90","","90","","3019.1","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Han, Chuchu; Yang, Jing; Zhang, Xin; Li, Aisen; Peng, Jiang","Dual control of passive light output direction by light and mechanical forces in elastic crystals","CrystEngComm","2024","26","2","203","208","10.1039/D3CE01021J","","x-ray","1.54178","CuKα","","0.069","0.0539","","","0.1338","0.149","","","","","","1.036","","","","has coordinates","289449","2024-02-04","11:39:21",""
"7247949","14.282","0.001","22.011","0.001","6.624","0.001","90","","90","","90","","2082.3","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[(AgBr)2(4-pica)]n","","- C6 H8 Ag2 Br2 N2 -","- C6 H8 Ag2 Br2 N2 -","- C48 H64 Ag16 Br16 N16 -","8","1","","Zuffa, Caterina; Cappuccino, Chiara; Casali, Lucia; Emmerling, Franziska; Maini, Lucia","Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(<i>n</i>-pica)]<sub><i>n</i></sub>.","Physical chemistry chemical physics : PCCP","2024","26","6","5010","5019","10.1039/d3cp04791a","powder diffraction","x-ray","1.535","CuKα","","","","","","","","","0.0337","1.08003","","","","","","","has coordinates","290283","2024-03-04","20:45:56",""
"7247999","10.972","0.0005","10.3056","0.0005","29.8407","0.0014","90","","90","","90","","3374.2","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-hydroxyphenyl)-4,4-dimethyl-2-(quinolin-3-yl)oxetan-3-one","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Venka Reddy, Pammi; Nagireddy, Attunuri; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi","Photoinduced arylative formal 4-endo-dig cyclization of propargyl alcohols/amines to access strained heterocycles","Green Chemistry","2024","26","5","2705","2711","10.1039/D3GC03540A","","","0.71073","MoKα","","0.0836","0.0454","","","0.1073","0.1269","","","","","","1.024","","","","has coordinates,has disorder","290998","2024-04-04","23:54:25",""
"7248102","8.7171","0.0003","12.9296","0.0005","14.2643","0.0005","90","","90","","90","","1607.71","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-bis(4,5-diiodoimidazol-1-yl)butane","","- C10 H10 I4 N4 -","- C10 H10 I4 N4 -","- C40 H40 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0139","0.0134","","","0.0311","0.0313","","","","","","1.195","","","","has coordinates","290900","2024-04-04","23:09:59",""
"7248105","9.7501","0.0006","8.8976","0.0005","24.5696","0.0016","90","","90","","90","","2131.5","0.2","298.15","","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N9 O7 -","- C5 H5 N9 O7 -","- C40 H40 N72 O56 -","8","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0703","0.0429","","","0.0991","0.1107","","","","","","1.046","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248122","14.1335","0.0011","10.5456","0.0007","22.1248","0.0017","90","","90","","90","","3297.6","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O -","- C16 H26 N2 O -","- C128 H208 N16 O8 -","8","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.1708","0.0673","","","0.1301","0.1565","","","","","","0.856","","","","has coordinates","289780","2024-02-10","02:24:58",""
"7248126","22.036","0.011","10.119","0.005","22.787","0.011","90","","90","","90","","5081","4","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 F6 N5 O4 P -","- C22 H24 F6 N5 O4 P -","- C176 H192 F48 N40 O32 P8 -","8","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.1386","0.0581","","","0.1323","0.1675","","","","","","1.015","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248317","12.9756","0.0011","7.1286","0.0006","22.9309","0.0019","90","","90","","90","","2121.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O2 Se -","- C11 H11 N O2 Se -","- C88 H88 N8 O16 Se8 -","8","1","","Crocetti, Letizia; Catarzi, Francesca; Giovannoni, Maria Paola; Vergelli, Claudia; Bartolucci, Gianluca; Pallecchi, Marco; Paoli, Paola; Rossi, Patrizia; Lippi, Martina; Schepetkin, Igor A.; Quinn, Mark T.; Guerrini, Gabriella","Ebselen analogues with dual human neutrophil elastase (HNE) inhibitory and antiradical activity","RSC Medicinal Chemistry","2024","","","","","10.1039/D3MD00736G","","","1.54178","CuKα","","0.0461","0.0451","","","0.1271","0.1274","","","","","","1.139","","","","has coordinates","290540","2024-03-20","01:02:15",""
"7248318","11.0854","0.0002","12.6784","0.0002","15.9392","0.0003","90","","90","","90","","2240.18","0.07","100","2","100.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","5,7-difluoro-6-mercapto-1,1-dimethylbenzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C8 H10 B F O2 S Si -","- C8 H10 B F O2 S Si -","- C64 H80 B8 F8 O16 S8 Si8 -","8","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0329","0.0304","","","0.0892","0.0905","","","","","","1.075","","","","has coordinates","290568","2024-03-21","00:58:26",""
"7248365","11.33","0.005","15.692","0.007","25.45","0.011","90","","90","","90","","4525","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C160 H152 Co8 N56 O72 -","8","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively Unsaturated 5-Nitroisophthalate based Cobalt(II) Coordination Polymers: Efficient Catalytic CO2 Fixation and Hantzsch Condensation","CrystEngComm","2024","","","","","10.1039/D4CE00102H","","","0.71073","MoKα","","0.1293","0.1105","","","0.1952","0.2039","","","","","","1.4","","","","has coordinates","290718","2024-04-01","22:39:55",""
"7248421","10.9104","0.0004","11.1907","0.0004","15.6859","0.0004","90","","90","","90","","1915.17","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C96 H64 O32 -","8","1","","Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel; Vayá, Ignacio","Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry","Physical Chemistry Chemical Physics","2024","","","","","10.1039/D4CP00830H","","x-ray","0.71073","MoKα","","0.0435","0.0348","","","0.0851","0.0901","","","","","","1.027","","","","has coordinates","291246","2024-04-17","01:11:07",""
"7700020","9.4599","0.0004","12.2035","0.0004","19.9085","0.0006","90","","90","","90","","2298.31","0.14","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Rubidium nickel-iron borophosphate","Dirubidium Diaquatrinickel-iron 24-oxodihydroxotetraborohexaphosphate(V)borophosphate","","- B8 Fe H12 Ni5 O56 P12 Rb4 -","- B8 Fe H12 Ni5 O56 P12 Rb4 -","- B16 Fe2 H24 Ni10 O112 P24 Rb8 -","2","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander","Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8835","8842","10.1039/c9dt00564a","","","0.71073","MoKα","","0.072","0.0618","","","0.0943","0.0972","","","","","","1.315","","","","has coordinates","223791","2020-10-21","18:00:00",""
"7700021","9.4057","0.0005","12.9274","0.0005","19.3912","0.0009","90","","90","","90","","2357.8","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Caesium copper borophosphate","Dicaesium Diaquatricopper 24-oxodihydroxotetraborohexaphosphate(V)","","- B8 Cs4 Cu6 H12 O56 P12 -","- B8 Cs4 Cu6 H12 O56 P12 -","- B16 Cs8 Cu12 H24 O112 P24 -","2","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander","Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8835","8842","10.1039/c9dt00564a","","","0.71073","MoKα","","0.0674","0.0439","","","0.0758","0.0824","","","","","","1.082","","","","has coordinates","223791","2020-10-21","18:00:00",""
"7700022","9.52","0.0004","12.2546","0.0005","19.966","0.0006","90","","90","","90","","2329.31","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Caesium nickel borophosphate","Dicaesium Diaquatrinickel 24-oxodihydroxotetraborohexaphosphate(V)","","- B8 Cs4 H12 Ni6 O56 P12 -","- B8 Cs4 H12 Ni6 O56 P12 -","- B16 Cs8 H24 Ni12 O112 P24 -","2","0.25","","Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander","Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8835","8842","10.1039/c9dt00564a","","","0.71073","MoKα","","0.0781","0.0662","","","0.0996","0.1033","","","","","","1.299","","","","has coordinates","223791","2020-10-21","18:00:00",""
"7700137","19.034","0.005","14.409","0.005","27.801","0.005","90","","90","","90","","7625","4","293","2","293.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H80 Co2 N28 O31 -","- C70 H78 Co2 N28 O31 -","- C280 H312 Co8 N112 O124 -","4","0.5","","Wu, Xue-Song; Bao, Hong-Fei; Zhu, Fu-Long; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min","Syntheses and magnetic properties of high-dimensional cucurbit[6]uril-based metal-organic rotaxane frameworks.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9939","9943","10.1039/c9dt01544b","","x-ray","0.71069","MoKα","","0.1361","0.1019","","","0.2236","0.2386","","","","","","1.138","","","","has coordinates","223866","2020-10-21","18:00:00",""
"7700140","14.083","0.003","15.755","0.003","19.635","0.004","90","","90","","90","","4356.6","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I3 N3 Zn -","- C21 H14 I3 N3 Zn -","- C168 H112 I24 N24 Zn8 -","8","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0519","0.0353","","","0.1018","0.1133","","","","","","1.039","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700141","14.04","0.003","15.296","0.003","19.559","0.004","90","","90","","90","","4200.4","1.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H14 Cl I2 N3 Zn -","- C21 H14 Cl I2 N3 Zn -","- C168 H112 Cl8 I16 N24 Zn8 -","8","1","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0599","0.0367","","","0.088","0.1046","","","","","","1.056","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700143","14.0571","0.0004","14.9076","0.0003","19.674","0.0006","90","","90","","90","","4122.84","0.19","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H56 F4 I8 N12 Zn4 -","- C84 H56 F4 I8 N12 Zn4 -","- C168 H112 F8 I16 N24 Zn8 -","2","0.25","","Liang, Xing; Jiang, Jinzhang; Xue, Xingyong; Huang, Ling; Ding, Xuanxuan; Nong, Dongmei; Chen, Hailan; Pan, Lixia; Ma, Zhen","Synthesis, characterization, photoluminescence, anti-tumor activity, DFT calculations and molecular docking with proteins of zinc(ii) halogen substituted terpyridine compounds.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10488","10504","10.1039/c8dt04924f","","","0.71073","MoKα","","0.0419","0.0326","","","0.0836","0.0869","","","","","","1.08","","","","has coordinates","223778","2020-10-21","18:00:00",""
"7700282","13.9382","0.0008","12.557","0.0005","33.8982","0.0014","90","","90","","90","","5932.9","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Cl2 N P Si4 -","- C20 H42 Cl2 N P Si4 -","- C160 H336 Cl16 N8 P8 Si32 -","8","1","","Bresien, Jonas; Schulz, Axel; Szych, Lilian Sophie; Villinger, Alexander; Wustrack, Ronald","[E(μ-NBbp)]<sub>2</sub> (E = P, As) - group 15 biradicals synthesized from acyclic precursors.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","11103","11111","10.1039/c9dt01654f","","","0.71073","MoKα","","0.0993","0.0747","","","0.1454","0.1549","","","","","","1.15","","","","has coordinates,has disorder","223760","2020-10-21","18:00:00",""
"7700327","13.552","0.0014","7.7992","0.0008","29.96","0.003","90","","90","","90","","3166.6","0.6","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Au Cl2 N2 O -","- C16 H16 Au Cl2 N2 O -","- C128 H128 Au8 Cl16 N16 O8 -","8","1","","Khan, Taj-Malook; Gul, Noor Shad; Lu, Xing; Kumar, Rajesh; Choudhary, Muhammad Iqbal; Liang, Hong; Chen, Zhen-Feng","Rhodium(iii) complexes with isoquinoline derivatives as potential anticancer agents: in vitro and in vivo activity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11469","11479","10.1039/c9dt01951k","","","0.71073","MoKα","","0.0443","0.0313","","","0.1055","0.1172","","","","","","0.87","","","","has coordinates","224355","2020-10-21","18:00:00",""
"7700477","20.9469","0.0005","19.2948","0.0004","22.1464","0.0005","90","","90","","90","","8950.8","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H38 F11 N4 P3 Ru -","- C46 H38 F11 N4 P3 Ru -","- C368 H304 F88 N32 P24 Ru8 -","8","1","","Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming","Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11732","11742","10.1039/c9dt02363a","","","0.71073","MoKα","","0.06","0.0395","","","0.087","0.1008","","","","","","1.054","","","","has coordinates,has disorder","224368","2020-10-21","18:00:00",""
"7700519","13.329","0.003","14.959","0.003","17.757","0.004","90","","90","","90","","3540.5","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","0.71073","MoKα","","0.058","0.0501","","","0.1258","0.1323","","","","","","1.067","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700523","20.045","0.0005","12.0661","0.0002","29.3699","0.0006","90","","90","","90","","7103.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H56 B N5 Si -","- C36 H56 B N5 Si -","- C288 H448 B8 N40 Si8 -","8","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.088","0.077","","","0.2045","0.2121","","","","","","1.12","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700598","15.4994","0.0004","17.8762","0.0005","18.5967","0.0005","90","","90","","90","","5152.6","0.2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H38 B F4 N P Rh -","- C24 H38 B F4 N P Rh -","- C192 H304 B8 F32 N8 P8 Rh8 -","8","1","","Kandel, Ramjee; Schatte, Gabriele; Jessop, Philip G.","Rh(i) and Ru(ii) phosphaamidine and phosphaguanidine (1,3-P,N) complexes and their activity for CO<sub>2</sub> hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12512","12521","10.1039/c9dt00602h","","","0.71073","MoKα","","0.0428","0.0312","","","0.0752","0.082","","","","","","1.03","","","","has coordinates,has disorder","223981","2020-10-21","18:00:00",""
"7700606","7.795","0.0002","17.1368","0.0006","23.0559","0.0008","90","","90","","90","","3079.84","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cu N3 O2 -","- C19 H13 Cu N3 O2 -","- C152 H104 Cu8 N24 O16 -","8","1","","Beddoe, Samuel V. F.; Lonergan, Rhona F.; Pitak, Mateusz B.; Price, Jason R.; Coles, Simon J.; Kitchen, Jonathan A.; Keene, Tony D.","All about that base: investigating the role of ligand basicity in pyridyl complexes derived from a copper-Schiff base coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15553","15559","10.1039/c9dt01527b","","x-ray","0.71073","MoKα","","0.0419","0.0334","","","0.0756","0.0791","","","","","","1.094","","","","has coordinates,has disorder","223909","2020-10-21","18:00:00",""
"7700627","9.35","0.003","16.797","0.006","25.649","0.008","90","","90","","90","","4028","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Br2 Cl6 N6 -","- C34 H46 Br2 Cl6 N6 -","- C136 H184 Br8 Cl24 N24 -","4","0.5","","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of 20-membered macrocyclic rings bearing trans-chelating bis(N-heterocyclic carbene) ligands and the catalytic activity of their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12577","12590","10.1039/c9dt02147g","","","0.71073","MoKα","","0.0872","0.0597","","","0.1605","0.175","","","","","","1.006","","","","has coordinates","223980","2020-10-21","18:00:00",""
"7700692","11.6017","0.0004","18.8201","0.0007","32.9818","0.0011","90","","90","","90","","7201.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H50 Cl3 Cr N4 -","- C36 H50 Cl3 Cr N4 -","- C288 H400 Cl24 Cr8 N32 -","8","1","","Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre","Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N<sup>imine</sup>C<sup>NHC</sup>N<sup>amine</sup> pincer ligands and catalytic ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12895","12909","10.1039/c9dt02400j","","","0.71073","MoKα","","0.0861","0.0502","","","0.1003","0.112","","","","","","1.022","","","","has coordinates,has disorder","224519","2020-10-21","18:00:00",""
"7700728","7.1143","0.0004","16.6561","0.001","23.7391","0.0013","90","","90","","90","","2813","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H15 Cu K N2 O9 -","- C10 H15 Cu K N2 O9 -","- C80 H120 Cu8 K8 N16 O72 -","8","1","","Yang, Yu-Chen; Wu, Rui; Yang, Min; Chen, Xi; Weng, Wei-Zheng; Zhou, Zhao-Hui","Formation of N-oxido copper ethylenediaminetetraacetate and propanediaminetetraacetate and their selective degradation to iminodiacetate and propanediaminediacetate.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13388","13395","10.1039/c9dt02355k","","","0.71073","MoKα","","0.1022","0.0683","","","0.1567","0.1768","","","","","","1.007","","","","has coordinates","224491","2020-10-21","18:00:00",""
"7700734","18.9717","0.0011","16.9554","0.0008","23.077","0.0013","90","","90","","90","","7423.2","0.7","120.01","","120.01","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","Orthorhombic","","- C31 H60 F3 N3 Ni O3 P2 S -","- C31 H60 F3 N3 Ni O3 P2 S -","- C248 H480 F24 N24 Ni8 O24 P16 S8 -","8","1","","Yao, Changguang; Zhang, Tonghuan; Zhou, Chunhui; Huang, Kuo-Wei","Interrogating the steric outcome during H<sub>2</sub> heterolysis: in-plane steric effects in the regioselective protonation of the PN<sup>3</sup>P-pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12817","12821","10.1039/c9dt03003d","","","0.71073","MoKα","","0.0883","0.0583","","","0.1518","0.1736","","","","","","1.051","","","","has coordinates","224527","2020-10-21","18:00:00",""
"7700828","21.891","0.0016","24.2657","0.0018","24.907","0.0019","90","","90","","90","","13230.6","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70.23 H88.2 Co N4.11 O4 -","- C70.228 H88.2013 Co N4.114 O4 -","- C561.824 H705.61 Co8 N32.912 O32 -","8","1","","Safaei, Elham; Balaghi, S. Esmael; Chiang, Linus; Clarke, Ryan M.; Martelino, Diego; Webb, Michael I.; Wong, Edwin W. Y.; Savard, Didier; Walsby, Charles J.; Storr, Tim","Stabilization of different redox levels of a tridentate benzoxazole amidophenoxide ligand when bound to Co(iii) or V(v).","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13326","13336","10.1039/c9dt02865j","","","0.71073","MoKα","","0.0695","0.0489","","0.0829","0.045","0.0427","","","","","","1.0679","","","","has coordinates","224487","2020-10-21","18:00:00",""
"7700901","26.23","0.004","17.688","0.002","43.297","0.006","90","","90","","90","","20088","5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H75 Ce N9 O12 P3 -","- C30 H75 Ce N9 O12 P3 -","- C480 H1200 Ce16 N144 O192 P48 -","16","2","","Gupta, Sandeep K.; Shanmugan, Swaminathan; Rajeshkumar, Thayalan; Borah, Aditya; Damjanović, Marko; Schulze, Michael; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Murugavel, Ramaswamy","A single-ion single-electron cerrous magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15928","15935","10.1039/c9dt03052b","","","0.71075","MoKα","","0.0446","0.0409","","","0.075","0.0766","","","","","","1.185","","","","has coordinates","224020","2020-10-21","18:00:00",""
"7700902","26.322","0.01","17.718","0.007","43.481","0.017","90","","90","","90","","20278","14","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H75 La N9 O12 P3 -","- C30 H75 La N9 O12 P3 -","- C480 H1200 La16 N144 O192 P48 -","16","2","","Gupta, Sandeep K.; Shanmugan, Swaminathan; Rajeshkumar, Thayalan; Borah, Aditya; Damjanović, Marko; Schulze, Michael; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Murugavel, Ramaswamy","A single-ion single-electron cerrous magnet.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15928","15935","10.1039/c9dt03052b","","","0.71075","MoKα","","0.1581","0.1433","","","0.2423","0.2493","","","","","","1.388","","","","has coordinates","224020","2020-10-21","18:00:00",""
"7700937","17.33241","0.00012","23.86672","0.00017","33.9755","0.0003","90","","90","","90","","14054.6","0.19","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H75 P3 Ru Zn -","- C89 H75 P3 Ru Zn -","- C712 H600 P24 Ru8 Zn8 -","8","1","","O'Leary, Niall; Miloserdov, Fedor M.; Mahon, Mary F.; Whittlesey, Michael K.","Transforming PPh<sub>3</sub> into bidentate phosphine ligands at Ru-Zn heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","14000","14009","10.1039/c9dt03106e","","x-ray","1.54184","CuKα","","0.0346","0.0293","","","0.0715","0.0749","","","","","","1.014","","","","has coordinates","223840","2020-10-21","18:00:00",""
"7700984","13.0277","0.0002","14.5867","0.0002","19.2369","0.0003","90","","90","","90","","3655.61","0.09","129.99","0.12","129.99","0.12","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Puthiyaveetil Yoosaf, Mohammed Ajmal; Ghosh, Somnath; Narayan, Yatheesh; Yadav, Munendra; Sahoo, Subash Chandra; Kumar, Pankaj","Finding a new pathway for acid-induced nitrite reduction reaction: formation of nitric oxide with hydrogen peroxide.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13916","13920","10.1039/c9dt02834j","","x-ray","0.71073","MoKα","","0.0397","0.0348","","","0.0882","0.0911","","","","","","1.071","","","","has coordinates","223847","2020-10-21","18:00:00",""
"7701022","18.669","0.005","19.702","0.005","21.195","0.005","90","0.005","90","0.005","90","0.005","7796","3","293","2","293","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","cb2mt-clo4","","","- C41 H40 Cl N3 O4 P2 Ru S2 -","- C41 H40 Cl N3 O4 P2 Ru S2 -","- C328 H320 Cl8 N24 O32 P16 Ru8 S16 -","8","1","","da Silva, Monize M.; de Camargo, Mariana S.; Correa, Rodrigo S.; Castelli, Silvia; De Grandis, Rone A.; Takarada, Jessica E.; Varanda, Eliana A.; Castellano, Eduardo E.; Deflon, Victor M.; Cominetti, Marcia R.; Desideri, Alessandro; Batista, Alzir A.","Non-mutagenic Ru(ii) complexes: cytotoxicity, topoisomerase IB inhibition, DNA and HSA binding.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14885","14897","10.1039/c9dt01905g","","x-ray","0.71073","MoKα","","0.0767","0.0453","","","0.106","0.1173","","","","","","1.025","","","","has coordinates,has disorder","224055","2020-10-21","18:00:00",""
"7701023","18.3678","0.0008","20.3902","0.0005","22.2064","0.0009","90","","90","","90","","8316.8","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound X","","","- C42 H41 F6 N6 P3 Ru S -","- C42 H41 F6 N6 P3 Ru S -","- C336 H328 F48 N48 P24 Ru8 S8 -","8","1","","da Silva, Monize M.; de Camargo, Mariana S.; Correa, Rodrigo S.; Castelli, Silvia; De Grandis, Rone A.; Takarada, Jessica E.; Varanda, Eliana A.; Castellano, Eduardo E.; Deflon, Victor M.; Cominetti, Marcia R.; Desideri, Alessandro; Batista, Alzir A.","Non-mutagenic Ru(ii) complexes: cytotoxicity, topoisomerase IB inhibition, DNA and HSA binding.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14885","14897","10.1039/c9dt01905g","","x-ray","0.71073","MoKα","","0.0997","0.0542","","","0.1222","0.1436","","","","","","1.015","","","","has coordinates","224055","2020-10-21","18:00:00",""
"7701058","19.0502","0.0018","10.2223","0.0006","34.8712","0.0012","90","","90","","90","","6790.7","0.8","150","2","150.01","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H49 Fe N2 O4 -","- C34 H49 Fe N2 O4 -","- C272 H392 Fe8 N16 O32 -","8","1","","Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.","The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15049","15058","10.1039/c9dt03327k","","x-ray","0.71073","MoKα","","0.0585","0.043","","","0.0972","0.1041","","","","","","1.097","","","","has coordinates","224242","2020-10-21","18:00:00",""
"7701130","20.2076","0.0013","6.015","0.0004","22.725","0.002","90","","90","","90","","2762.2","0.4","114.7","0.7","114.7","0.7","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Fe -","- C20 H16 Fe -","- C160 H128 Fe8 -","8","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0618","0.0367","","","0.0784","0.0848","","","","","","1.024","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701140","10.3319","0.001","7.7884","0.0007","37.581","0.004","90","","90","","90","","3024.1","0.5","125","0.1","125","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 Br Fe -","- C20 H15 Br Fe -","- C160 H120 Br8 Fe8 -","8","1","","Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14418","14432","10.1039/c9dt03216a","","","0.71073","MoKα","","0.0675","0.0475","","","0.0781","0.0841","","","","","","1.068","","","","has coordinates","224567","2020-10-21","18:00:00",""
"7701150","18.9362","0.0004","8.7005","0.0002","19.8672","0.0004","90","","90","","90","","3273.21","0.12","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H22 Br3 N2 O Pb S -","- C8 H22 Br3 N2 O Pb S -","- C64 H176 Br24 N16 O8 Pb8 S8 -","8","1","","Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram","Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15074","15090","10.1039/c9dt03469b","","","1.54184","CuKα","","0.0631","0.061","","","0.1797","0.1826","","","","","","1.053","","","","has coordinates","224251","2020-10-21","18:00:00",""
"7701164","15.149","0.004","7.717","0.002","18.928","0.007","90","","90","","90","","2212.8","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H13 K N O9 V -","- C6 H13 K N O9 V -","- C48 H104 K8 N8 O72 V8 -","8","1","","Chen, Fanghui; Gao, Zhiguo; You, Chaoqun; Wu, Hongshuai; Li, Yaojia; He, Xiaotong; Zhang, Yuchen; Zhang, Yaan; Sun, Baiwang","Three peroxidovanadium(v) compounds mediated by transition metal cations for enhanced anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15160","15169","10.1039/c9dt03378e","","","0.71073","MoKα","","0.1461","0.0801","","","0.1582","0.1909","","","","","","1.032","","","","has coordinates","224263","2020-10-21","18:00:00",""
"7701240","19.113","0.005","12.042","0.003","19.188","0.005","90","","90","","90","","4416","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Al N4 -","- C25 H27 Al N4 -","- C200 H216 Al8 N32 -","8","1","","Wei, Yun; Song, Lulu; Jiang, Ling; Huang, Zeming; Wang, Shaowu; Yuan, Qingbing; Mu, Xiaolong; Zhu, Xiancui; Zhou, Shuangliu","Aluminum complexes with Schiff base bridged bis(indolyl) ligands: synthesis, structure, and catalytic activity for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15290","15299","10.1039/c9dt02724f","","","0.71073","MoKα","","0.1861","0.1013","","","0.1845","0.2237","","","","","","1.04","","","","has coordinates","224244","2020-10-21","18:00:00",""
"7701252","18.9169","0.0015","20.9151","0.0016","22.8836","0.0017","90","","90","","90","","9053.9","1.2","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H56 Br4 Cu4 N8 -","- C36 H56 Br4 Cu4 N8 -","- C288 H448 Br32 Cu32 N64 -","8","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Ghimire, Mukunda M.; Hudson, Joshua M.; Parasar, Devaborniny; Palehepitiya Gamage, Chammi S.; Li, Shan; Omary, Mohammad A.","Brightly phosphorescent tetranuclear copper(i) pyrazolates.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14979","14983","10.1039/c9dt03402a","","","0.71073","MoKα","","0.0628","0.0344","","","0.0711","0.0828","","","","","","1.033","","","","has coordinates,has disorder","224249","2020-10-21","18:00:00",""
"7701253","19.0932","0.0008","21.3451","0.0008","23.1709","0.0009","90","","90","","90","","9443.2","0.6","276","2","276.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H56 Br4 Cu4 N8 -","- C36 H56 Br4 Cu4 N8 -","- C288 H448 Br32 Cu32 N64 -","8","1","","Dias, H. V. Rasika; Diyabalanage, Himashinie V. K.; Ghimire, Mukunda M.; Hudson, Joshua M.; Parasar, Devaborniny; Palehepitiya Gamage, Chammi S.; Li, Shan; Omary, Mohammad A.","Brightly phosphorescent tetranuclear copper(i) pyrazolates.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14979","14983","10.1039/c9dt03402a","","","0.71073","MoKα","","0.066","0.0368","","","0.0825","0.097","","","","","","0.995","","","","has coordinates,has disorder","224249","2020-10-21","18:00:00",""
"7701273","17.8395","0.0018","19.3485","0.0019","24.563","0.002","90","","90","","90","","8478.4","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H59 Cd Ge2 I2 N4 -","- C36 H60 Cd Ge2 I2 N4 -","- C288 H480 Cd8 Ge16 I16 N32 -","8","1","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.0755","0.0544","","","0.1411","0.153","","","","","","1.033","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701275","18.971","0.003","13.2411","0.0019","21.886","0.004","90","","90","","90","","5497.7","1.5","304","2","304","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.96 H60 Ge2 I4 N4 Zn2 -","- C35.96 H60 Ge2 I4 N4 Zn2 -","- C143.84 H240 Ge8 I16 N16 Zn8 -","4","0.5","","Selvarajan, Nagendran; Sinhababu, Soumen; Sharma, Mahendra Kumar; Mahawar, Pritam; Kaur, Supreet; Singh, Vivek Kumar; Paliwal, Akhil; Yadav, Dhirendra; Kashyap, Hemant K.","Germylene Stabilized Group 12 Metal Complexes and their Reactivity with Chalcogens","Dalton Transactions","2019","","","","","10.1039/C8DT04589E","","","0.71073","MoKα","","0.0752","0.0592","","","0.1517","0.1688","","","","","","1.046","","","","has coordinates","218987","2020-10-21","18:00:00",""
"7701400","20.3308","0.0005","18.3808","0.0003","32.632","0.001","90","","90","","90","","12194.5","0.5","119.99","0.1","119.99","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H86 In N7 O Si2 Zn -","- C60 H86 In N7 O Si2 Zn -","- C480 H688 In8 N56 O8 Si16 Zn8 -","8","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0758","0.0531","","","0.1234","0.1394","","","","","","1.002","","","","has coordinates,has disorder","219446","2020-10-21","18:00:00",""
"7701409","15.094","0.003","15.236","0.003","17.615","0.004","90","","90","","90","","4051","1.5","100","0.2","100","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B N -","- C22 H36 B N -","- C176 H288 B8 N8 -","8","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.0839","0.0502","","","0.1151","0.132","","","","","","1.044","","","","has coordinates","219472","2020-10-21","18:00:00",""
"7701416","15.362","0.0011","18.1323","0.0012","30.142","0.002","90","","90","","90","","8396","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H70 B2 Cl2 N2 -","- C44 H70 B2 Cl2 N2 -","- C352 H560 B16 Cl16 N16 -","8","1","","Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay","Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond","Dalton Transactions","2019","","","","","10.1039/C9DT03382C","","","0.71073","MoKα","","0.1913","0.0862","","","0.2082","0.2616","","","","","","1.045","","","","has coordinates,has disorder","219472","2020-10-21","18:00:00",""
"7701469","10.361","0.0013","20.185","0.002","45.506","0.006","90","","90","","90","","9517","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","18126zzz","Cr(CO)3{h6-(PhBPPh3)Cr(CO)3}","","- C51 H41 B Cr2 O6 P3 -","- C51 H41 B Cr2 O6 P3 -","- C408 H328 B8 Cr16 O48 P24 -","8","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L.; Young, Victor G.","Seventeen-electron chromium(i)tricarbonyltris(phosphine) complexes supported by tris(phosphinomethyl)phenylborates","Dalton Transactions","2019","","","","","10.1039/C9DT03562A","","","0.71073","MoKα","","0.0812","0.0742","","","0.1424","0.1459","","","","","","1.25","","","","has coordinates,has disorder","220619","2020-10-21","18:00:00",""
"7701524","21.1226","0.0004","10.1615","0.0002","22.9105","0.0004","90","","90","","90","","4917.45","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C56 H78 N4 -","- C56 H78 N4 -","- C224 H312 N16 -","4","0.5","","Bubnov, Michael P.; Cherkasov, Vladimir K.; Teplova, Irina A.; Druzhkov, Nickolay O.; Grishin, Ivan D.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Abakumov, Gleb A.","Novel dioxolene nickel complexes with sterically hindered diazabutadienes. Coupling of aza-ligands coordinated to nickel.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10516","10525","10.1039/c9dt01309a","","","0.71073","MoKα","","0.0675","0.0456","","","0.0987","0.1063","","","","","","1.035","","","","has coordinates","223295","2020-10-21","18:00:00",""
"7701593","9.154","0.0008","6.8673","0.0006","42.281","0.003","90","","90","","90","","2657.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Cl2 Fe N2 -","- C12 H18 Cl2 Fe N2 -","- C96 H144 Cl16 Fe8 N16 -","8","1","","Jing, Chuyang; Wang, Liang; Mahmood, Qaiser; Zhao, Mengmeng; Zhu, Guangqian; Zhang, Xianhui; Wang, Xiaowu; Wang, Qinggang","Synthesis and characterization of aminopyridine iron(ii) chloride catalysts for isoprene polymerization: sterically controlled monomer enchainment.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7862","7874","10.1039/c9dt00452a","","","1.54178","CuKα","","0.1255","0.0989","","","0.2044","0.2226","","","","","","1.086","","","","has coordinates","223312","2020-10-21","18:00:00",""
"7701626","20.4378","0.0006","11.5173","0.0004","20.0826","0.0005","90","","90","","90","","4727.2","0.2","200.08","0.1","200.08","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ga O3 S6 -","- C15 H24 Ga O3 S6 -","- C120 H192 Ga8 O24 S48 -","8","1","","Alderhami, Suliman A.; Collison, David; Lewis, David J.; McNaughter, Paul D.; O'Brien, Paul; Spencer, Ben F.; Vitorica-Yrezabal, Inigo; Whitehead, George","Accessing γ-Ga<sub>2</sub>S<sub>3</sub> by solventless thermolysis of gallium xanthates: a low-temperature limit for crystalline products.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15605","15612","10.1039/c9dt02061f","","x-ray","1.54184","CuKα","","0.0645","0.058","","","0.1246","0.1271","","","","","","1.23","","","","has coordinates,has disorder","223322","2020-10-21","18:00:00",""
"7701666","15.2849","0.0002","16.5974","0.0002","20.0536","0.0002","90","","90","","90","","5087.39","0.1","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H31 B N6 O2 W -","- C24 H31 B N6 O2 W -","- C192 H248 B8 N48 O16 W8 -","8","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","0.71073","MoKα","","0.0366","0.0246","","","0.0437","0.0468","","","","","","1.053","","","","has coordinates","223330","2020-10-21","18:00:00",""
"7701675","20.2803","0.0014","19.1095","0.0014","20.6121","0.0013","90","","90","","90","","7988.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C35 H60 Ba N4 O4 Si2 -","- C35 H60 Ba N4 O4 Si2 -","- C280 H480 Ba8 N32 O32 Si16 -","8","1","","Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9173","9180","10.1039/c9dt01512d","","x-ray","0.71073","MoKα","","0.0913","0.0445","","","0.074","0.0878","","","","","","1.006","","","","has coordinates","223332","2020-10-21","18:00:00",""
"7701678","21.046","0.003","18.864","0.002","24.456","0.003","90","","90","","90","","9709","2","150","","150","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C45 H76 Ba N4 O4 Si2 -","- C45 H76 Ba N4 O4 Si2 -","- C360 H608 Ba8 N32 O32 Si16 -","8","1","","Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9173","9180","10.1039/c9dt01512d","","x-ray","0.71073","MoKα","","0.1696","0.1495","","","0.3152","0.3255","","","","","","1.253","","","","has coordinates","223332","2020-10-21","18:00:00",""
"7701726","19.8221","0.0004","21.8692","0.0004","25.5085","0.0005","90","","90","","90","","11057.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H54 Ir N4 O0.75 P -","- C73 H54 Ir N4 O0.75 P -","- C584 H432 Ir8 N32 O6 P8 -","8","1","","So, Shiu-Chun; Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Iridium porphyrin complexes with μ-nitrido, hydroxo, hydrosulfido and alkynyl ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8340","8349","10.1039/c9dt00244h","","x-ray","0.71073","MoKα","","0.0931","0.0514","","","0.1033","0.1186","","","","","","1.001","","","","has coordinates,has disorder","223345","2020-10-21","18:00:00",""
"7701806","19.5336","0.0018","13.3846","0.0012","22.1579","0.0019","90","","90","","90","","5793.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H49 F5 P3 Rh -","- C26 H49 F5 P3 Rh -","- C208 H392 F40 P24 Rh8 -","8","1","","Xu, Conghui; Talavera, Maria; Sander, Stefan; Braun, Thomas","C-H and C-F bond activation reactions of pentafluorostyrene at rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","43","16258","16267","10.1039/c9dt03371h","","","0.71073","MoKα","","0.0256","0.0199","","","0.0426","0.0446","","","","","","1.05","","","","has coordinates","223396","2020-10-21","18:00:00",""
"7701844","12.07097","0.00016","14.5114","0.0002","32.0399","0.0005","90","","90","","90","","5612.32","0.14","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H47.03 B1.76 Cl0.24 N2 P2 Pd -","- C24 H47.024 B1.756 Cl0.244 N2 P2 Pd -","- C192 H376.192 B14.048 Cl1.952 N16 P16 Pd8 -","8","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0431","0.0308","","","0.0747","0.0835","","","","","","1.062","","","","has coordinates,has disorder","225379","2020-10-21","18:00:00",""
"7701861","13.825","0.0002","11.0254","0.0002","14.4329","0.0002","90","","90","","90","","2199.95","0.06","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H30 As2 Br4 Sn -","- C12 H30 As2 Br4 Sn -","- C48 H120 As8 Br16 Sn4 -","4","0.5","","Greenacre, Victoria K.; King, Rhys P.; Levason, William; Reid, Gillian","Neutral and cationic phosphine and arsine complexes of tin(iv) halides: synthesis, properties, structures and anion influence","Dalton Transactions","2019","","","","","10.1039/C9DT03683K","","","0.71073","MoKα","","0.0441","0.0358","","","0.1101","0.1159","","","","","","0.938","","","","has coordinates","225408","2020-10-21","18:00:00",""
"7701866","11.6229","0.0004","17.2516","0.0004","13.2057","0.0004","90","","90","","90","","2647.92","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl2 Hg N O2 P S -","- C6 H14 Cl2 Hg N O2 P S -","- C48 H112 Cl16 Hg8 N8 O16 P8 S8 -","8","1","","Torabi, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel; Shchegravina, Ekaterina S.","The First Coordination Polymers with an [O]2[N]P(S)-Hg Segment: A Combined Experimental, Theoretical and Database Study of Covalent Bonds and Non-covalent Interactions","Dalton Transactions","2019","","","","","10.1039/C9DT03546J","","x-ray","0.71073","MoKα","","0.0812","0.0556","","","0.089","0.0957","","","","","","1.176","","","","has coordinates","227629","2020-10-21","18:00:00",""
"7701896","18.6906","0.0003","21.6675","0.0003","27.8121","0.0004","90","","90","","90","","11263.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 B Ni P2 S2 -","- C64 H56 B Ni P2 S2 -","- C512 H448 B8 Ni8 P16 S16 -","8","1","","Zhang, Ailing; Wang, Congxiao; Lai, Xiaoyu; Zhai, Xiaofang; Pang, Maofu; Tung, Chen-Ho; Wang, Wenguang","Reactivity of the diphosphinodithio ligated nickel(0) complex toward alkyl halides and resultant nickel(i) and nickel(ii)-alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15757","15764","10.1039/c8dt03188f","","","1.54184","CuKα","","0.0513","0.0391","","","0.0987","0.1088","","","","","","1.027","","","","has coordinates","227798","2020-10-21","18:00:00",""
"7701965","9.7837","0.0007","22.9814","0.0018","29.458","0.002","90","","90","","90","","6623.4","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H57 Br4 Cu2 N7 O6 S6 -","- C56 H57 Br4 Cu2 N7 O6 S6 -","- C224 H228 Br16 Cu8 N28 O24 S24 -","4","0.5","","Li, Kan; Li, Jing-jing; Zhao, Ni; Xie, Ting-ting; Di, Bin; Xu, Li-li","Thioether-Based Recyclable Metal Organic Frameworks for Selective and Efficient Removal of Hg2+ from Water","Dalton Transactions","2019","","","","","10.1039/C9DT03714D","","x-ray","0.71073","MoKα","","0.1793","0.1191","","","0.2743","0.2909","","","","","","0.994","","","","has coordinates,has disorder","231020","2020-10-21","18:00:00",""
"7701999","8.1837","0.0008","9.2427","0.001","30.229","0.003","90","","90","","90","","2286.5","0.4","237","80","237","80","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2.419 H1.86 Br0.186 N0.186 O0.186 -","- C2.4186 H1.86047 Br0.186047 N0.186047 O0.186047 -","- C104 H80 Br8 N8 O8 -","43","5.375","","Yadav, Deepika; Awasthi, Satish Kumar","An unsymmetrical covalent organic polymer for catalytic amide synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","179","186","10.1039/c9dt03931g","","x-ray","0.71073","MoKα","","0.0817","0.0505","","","0.1324","0.1584","","","","","","0.8854","","","","has coordinates","247696","2020-10-21","18:00:00",""
"7702025","18.886","0.004","16.05","0.003","19.128","0.004","90","","90","","90","","5798","2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H21 B F15 N -","- C32 H21 B F15 N -","- C256 H168 B8 F120 N8 -","8","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.1129","0.0687","","","0.165","0.1912","","","","","","1.0743","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702027","17.3531","0.0015","16.1365","0.0015","22.7522","0.0017","90","","90","","90","","6371","0.9","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H25 B F15 N O -","- C33 H25 B F15 N O -","- C264 H200 B8 F120 N8 O8 -","8","1","","Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W.","B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7114","7117","10.1039/c5dt00921a","","","0.71073","MoKα","","0.0656","0.0413","","","0.0962","0.1112","","","","","","1.0647","","","","has coordinates","233431","2020-10-21","18:00:00",""
"7702071","13.1713","0.0014","15.9359","0.0016","31.481","0.003","90","","90","","90","","6607.8","1.2","90","2","90.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38.19 Cu N10 O12.19 -","- C28 H38.19 Cu N10 O12.19 -","- C224 H305.52 Cu8 N80 O97.52 -","8","1","","Ramogida, Caterina F.; Boros, Eszter; Patrick, Brian O.; Zeisler, Stefan K.; Kumlin, Joel; Adam, Michael J.; Schaffer, Paul; Orvig, Chris","Evaluation of H2CHXdedpa, H2dedpa- and H2CHXdedpa-N,N'-propyl-2-NI ligands for (64)Cu(ii) radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13082","13090","10.1039/c6dt00932h","","","0.71073","MoKα","","0.0592","0.036","","","0.0809","0.0903","","","","","","1.008","","","","has coordinates,has disorder","234730","2020-10-21","18:00:00",""
"7702088","18.6702","0.0004","7.6361","0.0003","37.4789","0.0012","90","","90","","90","","5343.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H24 F2 N P Pt -","- C35 H24 F2 N P Pt -","- C280 H192 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P.","Trapping five-coordinate platinum(iv) intermediates.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11397","11406","10.1039/c6dt02088g","","","0.71073","MoKα","","0.0618","0.0372","","","0.0539","0.0565","","","","","","0.936","","","","has coordinates","234743","2020-10-21","18:00:00",""
"7702127","13.2454","0.0005","20.543","0.0008","22.8531","0.0009","90","","90","","90","","6218.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H72 B4 Fe4 O8 -","- C72 H72 B4 Fe4 O8 -","- C288 H288 B16 Fe16 O32 -","4","0.5","","Ono, Kosuke; Tohyama, Yohei; Uchikura, Tatsuhiro; Kikuchi, Yuji; Fujii, Kotaro; Uekusa, Hidehiro; Iwasawa, Nobuharu","Control of the reversibility during boronic ester formation: application to the construction of ferrocene dimers and trimers.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2370","2376","10.1039/c6dt04845e","","x-ray","1.54186","CuKα","","0.212","0.1325","","","0.305","0.4094","","","","","","1.172","","","","has coordinates","234767","2020-10-21","18:00:00",""
"7702299","7.715","0.001","11.021","0.001","26.172","0.003","90","","90","","90","","2225.3","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O -","- C12 H17 N O -","- C96 H136 N8 O8 -","8","1","","Doris Huerlander; Roland Frohlich; Gerhard Erker","Synthesis and structural characterization of Group 4 metallocene complexes that contain remote carboxamide functionalities at their Cp-side chains","Journal of the Chemical Society, Dalton Transactions","2002","","","1513","1520","10.1039/B106026K","","","1.54178","CuKα","","0.0678","0.058","","","0.1701","0.1819","","","","","","1.008","","","","has coordinates","243820","2020-10-21","18:00:00",""
"7702386","12.482","0.006","14.699","0.007","16.045","0.006","90","","90","","90","","2944","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H52 Co2 N8 S4 -","- C20 H52 Co2 N8 S4 -","- C80 H208 Co8 N32 S16 -","4","0.5","","Pleus, Rainer J.; Waden, Harald; Saak, Wolfgang; Haase, Detlev; Pohl, Siegfried","Preparation of the first sulfur-containing cobalt and nickel complexes stabilised by the macrocyclic cyclam ligand; observation of S‒H bond activation","Journal of the Chemical Society, Dalton Transactions","1999","","15","2601","","10.1039/a902015b","","","0.71073","MoKα","","0.086","0.0553","","0.1403","0.1114","","","","1.262","1.208","1.208","","","","","has coordinates","243846","2020-10-21","18:00:00",""
"7702387","12.625","0.001","14.891","0.001","16.202","0.001","90","","90","","90","","3046","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H52 N8 Ni2 S4 -","- C20 H52 N8 Ni2 S4 -","- C80 H208 N32 Ni8 S16 -","4","0.5","","Pleus, Rainer J.; Waden, Harald; Saak, Wolfgang; Haase, Detlev; Pohl, Siegfried","Preparation of the first sulfur-containing cobalt and nickel complexes stabilised by the macrocyclic cyclam ligand; observation of S‒H bond activation","Journal of the Chemical Society, Dalton Transactions","1999","","15","2601","","10.1039/a902015b","","","0.71073","MoKα","","0.0954","0.0461","","0.09","0.0753","","","","1.034","1.029","1.029","","","","","has coordinates","243846","2020-10-21","18:00:00",""
"7702491","11.714","0.002","13.828","0.002","23.072","0.003","90","","90","","90","","3737.2","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Complex 9","","","- C36 H32 B2 Cu F8 N8 O2 -","- C36 H32 B2 Cu F8.04 N8 O2 -","- C144 H128 B8 Cu4 F32.16 N32 O8 -","4","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.1437","0.0536","","0.1592","0.1104","","","","0.962","1.143","1.143","","","","","has coordinates","243881","2020-10-21","18:00:00",""
"7702500","7.4134","0.0008","14.5311","0.0015","24.678","0.003","90","","90","","90","","2658.4","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 O6 Ta -","- C9 H19 O6 Ta -","- C72 H152 O48 Ta8 -","8","1","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.0653","0.0411","","","0.094","0.0989","","","","","","0.867","","","","has coordinates","243884","2020-10-21","18:00:00",""
"7702514","21.416","0.003","13.944","0.002","32.317","0.004","90","","90","","90","","9651","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H128 Ba6 N16 O12 Si4 -","- C72 H128 Ba6 N16 O12 Si4 -","- C288 H512 Ba24 N64 O48 Si16 -","4","0.5","","Steiner, Alexander; Lawson, Gavin T.; Walfort, Bernhard; Leusser, Dirk; Stalke, Dietmar","[(thf )6Ba6(dmpz)8{(OSiMe2)2O}2] (dmpz = 3,5-dimethylpyrazolate): a molecule with six barium cations in a plane capped by two siloxane dianions and framed by eight dmpz anions †","Journal of the Chemical Society, Dalton Transactions","2001","","3","219","","10.1039/b009121i","","","0.71073","MoKa","","0.0814","0.0474","","0.1098","0.09","","","","1.057","1.083","1.083","","","","","has coordinates","243887","2020-10-21","18:00:00",""
"7702698","17.077","0.003","21.551","0.004","21.58","0.004","90","","90","","90","","7942","3","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","1,8-Bis(fluoroboro)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza- 4,5,11,12-tetraphenyl-17-chloro-18-diethylaminobicyclo-[6.6.6]eicosa- 3,5,10,12,16,18-hexaene iron(II)x(C6H6)","","- C40 H36 B2 Cl F2 Fe N7 O6 -","- C40 H36 B2 Cl F2 Fe N7 O6 -","- C320 H288 B16 Cl8 F16 Fe8 N56 O48 -","8","1","","Voloshin, Yan Z.; Zavodnik, Valery E.; Varzatskii, Oleg A.; Belsky, Vitaly K.; Palchik, Aleksei V.; Strizhakova, Nataly G.; Vorontsov, Ivan I.; Antipin, Mikhail Yu.","Clathrochelate monoribbed-functionalized iron(ii) α-dioximates: synthetic pathways and structural and electrochemical features","Journal of the Chemical Society, Dalton Transactions","2002","","6","1193","","10.1039/b107021p","","","0.71073","MoKα","","0.0982","0.0635","","0.2201","0.1884","","","","1.069","1.206","1.206","","","","","has coordinates","243964","2020-10-21","18:00:00",""
"7702702","10.9421","0.0011","10.0232","0.001","42.863","0.004","90","","90","","90","","4701","0.8","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F13 O P -","- C24 H14 F13 O P -","- C192 H112 F104 O8 P8 -","8","1","","Croxtall, Ben; Fawcett, John; Hope, Eric G.; Stuart, Alison M.","Synthesis and coordination chemistry of ortho-perfluoroalkyl-derivatised triarylphosphines","Journal of the Chemical Society, Dalton Transactions","2002","","4","491","","10.1039/b107390g","","","0.71073","MoKα","","0.0585","0.0513","","","0.1531","0.1573","","","","","","1.075","","","","has coordinates","243971","2020-10-21","18:00:00",""
"7702780","7.4288","0.0001","20.6531","0.0004","30.1017","0.0006","90","","90","","90","","4618.44","0.14","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl Cu N6 O8 -","- C18 H27 Cl Cu N6 O8 -","- C144 H216 Cl8 Cu8 N48 O64 -","8","1","","Jubert, Caroline; Mohamadou, Aminou; Gérard, Christian; Brandes, Stéphane; Tabard, Alain; Barbier, Jean-Pierre","Equilibrium and structural studies of complexes with a hexadentate ligand containing amide, amine and pyridyl nitrogen donors. Crystal structures of copper(ii), nickel(ii) and cobalt(iii) complexes","Journal of the Chemical Society, Dalton Transactions","2002","","13","2660","","10.1039/b111614b","","","0.71073","Mo-Kα","","0.103","0.043","","1.699","","0.059","","","40.905","","","1.03","","","","has coordinates","244015","2020-10-21","18:00:00",""
"7702784","10.416","0.002","5.2697","0.0011","12.231","0.002","90","","90","","90","","671.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H4 B2 O4 -","- C6 H4 B2 O4 -","- C24 H16 B8 O16 -","4","0.5","","Aldridge, Simon; Calder, Richard J.; Rossin, Andrea; Dickinson, Anthony A.; Willock, David J.; Jones, Cameron; Evans, David J.; Steed, Jonathan W.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","Linking of metal centres through boryl ligands: synthesis, spectroscopic and structural characterisation of symmetrically bridged boryl complexes","Journal of the Chemical Society, Dalton Transactions","2002","","9","2020","","10.1039/b200695m","","","0.71073","MoKα","","0.0419","0.0367","","","0.1007","0.1065","","","","","","0.991","","","","has coordinates","244016","2020-10-21","18:00:00",""
"7702793","15.8646","0.0002","15.4382","0.0002","21.6118","0.0004","90","","90","","90","","5293.18","0.14","150","0.1","150","0.1","","","","","","","CH2Cl2","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl8 S4 Zr2 -","- C10 H24 Cl8 S4 Zr2 -","- C80 H192 Cl64 S32 Zr16 -","8","1","","Hart, Richard; Levason, William; Patel, Bhavesh; Reid, Gillian","Synthesis, properties and crystal structures of 6-, 7- and 8-coordinate Zr(iv) and Hf(iv) complexes involving thioether and selenoether ligands","Journal of the Chemical Society, Dalton Transactions","2002","","16","3153","","10.1039/b201080c","","","0.71073","MoKα","","0.0417","0.042","","0.049","","0.049","","","1.2","","","1.2","","","","has coordinates","244018","2020-10-21","18:00:00",""
"7702807","22.438","0.01","19.62","0.01","17.301","0.01","90","","90","","90","","7616","7","298.2","","298.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Cu2 N6 O11 -","- C36 H44 Cu2 N6 O11 -","- C288 H352 Cu16 N48 O88 -","8","1","","Saimiya, Hiromi; Sunatsuki, Yukinari; Kojima, Masaaki; Kashino, Setsuo; Kambe, Takashi; Hirotsu, Masakazu; Akashi, Haruo; Nakajima, Kiyohiko; Tokii, Tadashi","Antiferromagnetism induced by successive protonation of terminal phenol groups of a bis(μ-phenoxide)-bridged dicopper(II,II) complex","Journal of the Chemical Society, Dalton Transactions","2002","","19","3737","3742","10.1039/B201741E","","","0.7107","MoKa","","0.106","0.106","","0.108","","0.108","","","1.469","","","1.47","","","","has coordinates","275140","2022-05-06","20:03:41",""
"7702846","11.628","0.002","15.439","0.003","17.803","0.004","90","","90","","90","","3196.1","1.1","150","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 B Br Fe O2 -","- C16 H16 B Br Fe O2 -","- C128 H128 B8 Br8 Fe8 O16 -","8","1","","Coombs, Deborah L.; Aldridge, Simon; Jones, Cameron","Synthetic, structural and reaction chemistry of transition metal complexes containing the mesitylborylene ligand","Journal of the Chemical Society, Dalton Transactions","2002","","20","3851","","10.1039/b206348b","","","0.71073","MoKα","","0.1012","0.0481","","","0.0925","0.108","","","","","","0.969","","","","has coordinates","244049","2020-10-21","18:00:00",""
"7702894","15.375","0.003","13.506","0.003","21.053","0.004","90","","90","","90","","4371.8","1.5","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","triiodo-1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane-lanthanum(III)","","- C12 H24 I3 La O4 Se2 -","- C12 H24 I3 La O4 Se2 -","- C96 H192 I24 La8 O32 Se16 -","8","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0432","0.0328","","","0.0685","0.0734","","","","","","1.128","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702895","15.276","0.003","13.763","0.002","20.617","0.004","90","","90","","90","","4334.6","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","triiodo-1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-lanthanum(III)","","- C12 H24 I3 La O4 S2 -","- C12 H24 I3 La O4 S2 -","- C96 H192 I24 La8 O32 S16 -","8","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0467","0.0426","","","0.1096","0.1133","","","","","","1.052","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702934","8.8108","0.0001","13.2483","0.0002","27.2268","0.0004","90","","90","","90","","3178.13","0.08","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H23 Cl2 O P Ru -","- C14 H23 Cl2 O P Ru -","- C112 H184 Cl16 O8 P8 Ru8 -","8","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0294","0.0262","","","0.0648","0.0673","","","","","","1.044","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702935","8.9634","0.0002","13.7539","0.0003","27.5","0.0006","90","","90","","90","","3390.25","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H25 Cl2 O P Ru -","- C15 H25 Cl2 O P Ru -","- C120 H200 Cl16 O8 P8 Ru8 -","8","1","","González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio","Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","210","222","10.1039/c9dt04421c","","","1.54184","CuKα","","0.0324","0.0302","","","0.0892","0.0918","","","","","","1.118","","","","has coordinates","247699","2020-10-21","18:00:00",""
"7702944","15.7365","0.0004","16.0434","0.0004","18.6754","0.0007","90","","90","","90","","4714.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1a","","- C18.84 H22.06 N8.92 O0.92 Zn2 -","- C18.829 H12.138 N8.912 O0.912 Zn2 -","- C150.632 H97.104 N71.296 O7.296 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","x-ray","1.54184","CuKα","","0.0771","0.0665","","","0.2121","0.2261","","","","","","1.077","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702945","15.9807","0.0011","18.5721","0.0016","15.6944","0.0008","90","","90","","90","","4658","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1f","","- C18.98 H23.37 N8.88 O0.88 Zn2 -","- C18.985 H12.222 N8.642 O0.88 Zn2 -","- C151.88 H97.776 N69.136 O7.04 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","","1.54184","CuKα","","0.0964","0.082","","","0.2416","0.259","","","","","","1.056","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702946","15.6574","0.0005","15.9532","0.0005","18.5634","0.0007","90","","90","","90","","4636.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution","ZIF-UC-1g","","- C18.78 H21.46 N8.65 O0.65 Zn2 -","- C19.078 H12.791 N8.647 O0.647 Zn2 -","- C152.624 H102.328 N69.176 O5.176 Zn16 -","8","1","","Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas","Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","850","857","10.1039/c9dt03559a","","x-ray","1.54184","CuKα","","0.0845","0.0785","","","0.2299","0.2349","","","","","","1.175","","","","has coordinates,has disorder","247748","2020-10-21","18:00:00",""
"7702981","14.8404","0.0002","10.6928","0.0001","31.4241","0.0005","90","","90","","90","","4986.55","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H35 Al Fe N2 -","- C26 H35 Al Fe N2 -","- C208 H280 Al8 Fe8 N16 -","8","1","","Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S","Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1124","1134","10.1039/c9dt03808f","","","0.71073","MoKα","","0.051","0.0397","","","0.0876","0.0943","","","","","","1.067","","","","has coordinates","247716","2020-10-21","18:00:00",""
"7703045","16.7622","0.0008","16.303","0.0007","23.535","0.0009","90","","90","","90","","6431.5","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H84 Ag2 Mo8 N6 O26 -","- C42 H84 Ag2 Mo8 N6 O26 -","- C168 H336 Ag8 Mo32 N24 O104 -","4","0.5","","Chupina, Anastasia V.; Shayapov, Vladimir; Novikov, Alexander S.; Volchek, Victoria V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","[{AgL}<sub>2</sub>Mo<sub>8</sub>O<sub>26</sub>]<sup>n-</sup> complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1522","1530","10.1039/c9dt04043a","","x-ray","0.71073","MoKα","","0.0605","0.0382","","","0.0824","0.0913","","","","","","1.114","","","","has coordinates","248942","2020-10-21","18:00:00",""
"7703083","8.1762","0.0003","12.406","0.0004","40.2745","0.0012","90","","90","","90","","4085.2","0.2","154.4","0.2","154.4","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H27 Cl2 Cu N3 O -","- C20 H27 Cl2 Cu N3 O -","- C160 H216 Cl16 Cu8 N24 O8 -","8","1","","Liu, Ming; Song, Xue-Qing; Wu, Yuan-Di; Qian, Jing; Xu, Jing-Yuan","Cu(ii)-TACN complexes selectively induce antitumor activity in HepG-2 cells via DNA damage and mitochondrial-ROS-mediated apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","114","123","10.1039/c9dt03641e","","x-ray","0.71073","MoKα","","0.0349","0.0301","","","0.0686","0.0718","","","","","","1.051","","","","has coordinates","246373","2020-10-21","18:00:00",""
"7703091","10.9722","0.0008","22.0874","0.0018","22.1996","0.0018","90","","90","","90","","5380","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N14 O5 Zn -","- C23 H20 N14 O5 Zn -","- C184 H160 N112 O40 Zn8 -","8","1","","Senthil Kumar, Kuppusamy; Vela, Sergi; Heinrich, Benoît; Suryadevara, Nithin; Karmazin, Lydia; Bailly, Corinne; Ruben, Mario","Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)<sub>2</sub>] (ptp = 2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1022","1031","10.1039/c9dt04411f","","","0.71073","MoKα","","0.0528","0.0334","","","0.0752","0.0848","","","","","","1.073","","","","has coordinates","247706","2020-10-21","18:00:00",""
"7703116","16.8669","0.0015","10.5925","0.0008","17.1483","0.0015","90","","90","","90","","3063.8","0.4","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B2 O8 P2 -","- C28 H44 B2 O8 P2 -","- C112 H176 B8 O32 P8 -","4","0.5","","Zhu, Diya; Qu, Zheng-Wang; Stephan, Douglas W.","Addition reactions and diazomethane capture by the intramolecular P-O-B FLP: tBu<sub>2</sub>POBcat.","Dalton transactions (Cambridge, England : 2003)","2020","49","3","901","910","10.1039/c9dt04560k","","","0.71073","MoKα","","0.0417","0.0328","","","0.0858","0.0994","","","","","","1.1044","","","","has coordinates","247739","2020-10-21","18:00:00",""
"7703268","12.4453","0.0002","14.3947","0.0003","33.7578","0.0004","90","","90","","90","","6047.59","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Cl2 N8 O9 Zn -","- C27 H32 Cl2 N8 O9 Zn -","- C216 H256 Cl16 N64 O72 Zn8 -","8","1","","Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario","Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties","Dalton Transactions","2020","","","","","10.1039/C9DT04764F","","","1.54184","CuKα","","0.0659","0.0432","","","0.1127","0.1287","","","","","","1.068","","","","has coordinates","246852","2020-10-21","18:00:00",""
"7703269","12.3325","0.0003","14.5161","0.0004","33.7255","0.0007","90","","90","","90","","6037.5","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Cl2 Cu N8 O9 -","- C27 H32 Cl2 Cu N8 O9 -","- C216 H256 Cl16 Cu8 N64 O72 -","8","1","","Ambrosi, Gianluca; Clares, Maria Paz; Pont, Isabel; Formica, Mauro; Fusi, Vieri; Ricci, Angela; Paoli, Paola; Rossi, Patrizia; García-España, Enrique; Inclán, Mario","Zn2+ and Cu2+ complexes of a Fluorescent Scorpiand-type Oxadiazole Azamacrocycle Ligand: Crystal Structures, Solution Study and Optical Properties","Dalton Transactions","2020","","","","","10.1039/C9DT04764F","","","1.54184","CuKα","","0.0495","0.0381","","","0.0991","0.1086","","","","","","1.053","","","","has coordinates","246852","2020-10-21","18:00:00",""
"7703302","22.0019","0.0015","17.1755","0.0012","24.1054","0.0014","90","","90","","90","","9109.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 Fe I6 N7 Pb2 -","- C38 H27 Fe I6 N7 Pb2 -","- C304 H216 Fe8 I48 N56 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","1.54184","CuKα","","0.0869","0.0455","","","0.1082","0.1287","","","","","","1.043","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703303","22.2907","0.0006","17.2834","0.0006","23.7873","0.0009","90","","90","","90","","9164.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 I6 N7 Ni Pb2 -","- C38 H27 I6 N7 Ni Pb2 -","- C304 H216 I48 N56 Ni8 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.1014","0.0549","","","0.0966","0.1144","","","","","","1.083","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703304","22.4431","0.0012","17.4343","0.0008","23.4749","0.0014","90","","90","","90","","9185.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H27 Co I6 N7 Pb2 -","- C38 H27 Co I6 N7 Pb2 -","- C304 H216 Co8 I48 N56 Pb16 -","8","1","","Zhang, Bo; Sun, Hai-Yan; Li, Jun; Xu, Ya-Ru; Xu, Yu-Ping; Yang, Xue; Zou, Guo-Dong","Hybrid iodoplumbates with metal complexes: syntheses, crystal structures, band gaps and photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1803","1810","10.1039/c9dt04756e","","","0.71073","MoKα","","0.0434","0.0317","","","0.075","0.0808","","","","","","1.056","","","","has coordinates,has disorder","248946","2020-10-21","18:00:00",""
"7703323","17.552","0.0015","14.0826","0.0009","18.308","0.0017","90","","90","","90","","4525.3","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(DIM)Fe(NO)2","","- C22 H28 Fe N4 O2 -","- C22 H28 Fe N4 O2 -","- C176 H224 Fe8 N32 O16 -","8","1","","Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.","A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1681","1687","10.1039/d0dt00077a","","","0.71073","MoKα","","0.0986","0.0462","","","0.0832","0.0987","","","","","","1.005","","","","has coordinates","248943","2020-10-21","18:00:00",""
"7703448","18.904","0.0006","16.3612","0.0006","19.3108","0.0005","90","","90","","90","","5972.7","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H19 B F15 N3 -","- C30 H19 B F15 N3 -","- C240 H152 B8 F120 N24 -","8","1","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0643","0.0554","","","0.1445","0.151","","","","","","1.056","","","","has coordinates,has disorder","248969","2020-10-21","18:00:00",""
"7703449","19.1659","0.0005","18.1081","0.0005","35.2711","0.0011","90","","90","","90","","12241.1","0.6","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 B F15 N3 -","- C30 H23 B F15 N3 -","- C480 H368 B16 F240 N48 -","16","2","","Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay","Brønsted and Lewis acid adducts of triazenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2317","2322","10.1039/d0dt00049c","","x-ray","1.54184","CuKα","","0.0854","0.0532","","","0.1222","0.1374","","","","","","1.016","","","","has coordinates,has disorder","248969","2020-10-21","18:00:00",""
"7703489","12.40495","0.00016","13.12123","0.00013","39.362","0.0005","90","","90","","90","","6406.88","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Cl2 O3 P2 Rh -","- C29 H49 Cl2 O3 P2 Rh -","- C232 H392 Cl16 O24 P16 Rh8 -","8","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0564","0.0514","","","0.1078","0.11","","","","","","1.267","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703497","12.4393","0.0002","13.2278","0.0002","39.2327","0.0007","90","","90","","90","","6455.53","0.18","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Cl2 Ir O3 P2 -","- C29 H49 Cl2 Ir O3 P2 -","- C232 H392 Cl16 Ir8 O24 P16 -","8","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0748","0.0677","","","0.1237","0.126","","","","","","1.445","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703593","19.7845","0.0009","15.2433","0.0006","22.34","0.0009","90","","90","","90","","6737.3","0.5","100","2","273.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H36 Ni O3 P2 S2 -","- C35 H36 Ni O3 P2 S2 -","- C280 H288 Ni8 O24 P16 S16 -","8","1","","Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai","New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3592","3605","10.1039/c9dt04923a","","","0.71073","MoKα","","0.0838","0.0451","","","0.1112","0.1569","","","","","","1.189","","","","has coordinates","250305","2020-10-21","18:00:00",""
"7703657","7.1753","0.0003","14.9458","0.0006","15.9277","0.0006","90","","90","","90","","1708.1","0.12","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.0692","0.0461","","","0.0902","0.0998","","","","","","1.1","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703658","7.1249","0.0014","14.795","0.003","15.912","0.003","90","","90","","90","","1677.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H2 N5 Na O6 -","- C4 H2 N5 Na O6 -","- C32 H16 N40 Na8 O48 -","8","1","","Lei, Caijin; Yang, Hongwei; Cheng, Guangbin","New pyrazole energetic materials and their energetic salts: combining the dinitromethyl group with nitropyrazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1660","1667","10.1039/c9dt04235k","","","0.71073","MoKα","","0.0942","0.0592","","","0.1583","0.1803","","","","","","1.116","","","","has coordinates","248765","2020-10-21","18:00:00",""
"7703667","21.827","0.002","11.6814","0.001","22.747","0.002","90","","90","","90","","5799.8","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","smp_09","","","- C35 H32 Fe2 N3 O -","- C35 H31 Fe2 N3 O -","- C280 H248 Fe16 N24 O8 -","8","1","","Prabu, Selvam; David, Ezhumalai; Viswanathan, Thamodharan; Thirumoorthy, Krishnan; Panda, Tamas; Dragonetti, Claudia; Colombo, Alessia; Marinotto, Daniele; Righetto, Stefania; Roberto, Dominique; Palanisami, Nallasamy","NLO-active Y-shaped ferrocene conjugated imidazole chromophores as precursors for SHG polymeric films.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1854","1863","10.1039/c9dt03637g","","","0.71073","MoKα","","0.1634","0.055","","","0.133","0.1884","","","","","","0.863","","","","has coordinates","248771","2020-10-21","18:00:00",""
"7703714","7.6311","0.0009","9.9671","0.0011","16.9752","0.0017","90","","90","","90","","1291.1","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H2 N12 O6 -","- C8 H2 N12 O6 -","- C32 H8 N48 O24 -","4","0.5","","Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin","A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4675","4679","10.1039/d0dt00498g","","","0.71073","MoKα","","0.0846","0.0474","","","0.0984","0.1148","","","","","","1.025","","","","has coordinates,has disorder","251652","2020-10-21","18:00:00",""
"7703813","22.242","0.005","15.656","0.004","38.588","0.008","90","","90","","90","","13437","5","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 H175.6 Ca4 Mn6 N O48.3 -","- C96 H175.6 Ca4 Mn6 N O48.3 -","- C384 H702.4 Ca16 Mn24 N4 O193.2 -","4","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Bagheri, Robabeh; Bikas, Rahman; Chernev, Petko; Song, Zhenlun; Lis, Tadeusz; Siczek, Milosz; Noshiranzadeh, Nader; Mebs, Stefan; Dau, Holger; Zaharieva, Ivelina; Najafpour, Mohammad Mahdi","A synthetic manganese-calcium cluster similar to the catalyst of Photosystem II: challenges for biomimetic water oxidation.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5597","5605","10.1039/d0dt00536c","","","0.71073","MoKα","","0.1216","0.0718","","","0.1477","0.1705","","","","","","1.07","","","","has coordinates,has disorder","252757","2020-10-21","18:00:00",""
"7703841","7.5254","0.0016","7.7391","0.0015","22.763","0.005","90","","90","","90","","1325.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.","Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.","Dalton transactions (Cambridge, England : 2003)","2020","49","15","4710","4724","10.1039/d0dt00222d","","","0.71073","MoKα","","0.0553","0.0412","","","0.1067","0.1177","","","","","","1.03","","","","has coordinates","251654","2020-10-21","18:00:00",""
"7703907","12.3442","0.0002","12.5495","0.0002","21.9424","0.0004","90","","90","","90","","3399.17","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 O7 P W -","- C14 H15 O7 P W -","- C112 H120 O56 P8 W8 -","8","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.036","0.0302","","","0.0821","0.0851","","","","","","1.064","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703965","17.0355","0.0004","19.0161","0.0007","52.224","0.002","90","","90","","90","","16917.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H110 N6 O30 Ti9 -","- C56 H110 N6 O30 Ti9 -","- C448 H880 N48 O240 Ti72 -","8","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.1392","0.1088","","","0.2903","0.3093","","","","","","1.042","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703971","18.4749","0.0004","8.1865","0.0002","21.1388","0.0005","90","","90","","90","","3197.13","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Mn N3 O7 -","- C12 H20 Mn N3 O7 -","- C96 H160 Mn8 N24 O56 -","8","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.056","0.0435","","","0.1015","0.1093","","","","","","1.025","","","","has coordinates,has disorder","252822","2020-10-21","18:00:00",""
"7703973","18.4286","0.0004","7.767","0.0002","20.6985","0.0005","90","","90","","90","","2962.68","0.12","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cl Mn N2 O4 -","- C12 H20 Cl Mn N2 O4 -","- C96 H160 Cl8 Mn8 N16 O32 -","8","1","","Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis","Synthesis of Mn<sub>3</sub>O<sub>4</sub> nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5999","6011","10.1039/d0dt00355g","","","0.71073","MoKα","","0.0412","0.0281","","","0.0672","0.0728","","","","","","1.043","","","","has coordinates","252822","2020-10-21","18:00:00",""
"7703995","10.191","0.0002","16.1458","0.0003","32.8773","0.0009","90","","90","","90","","5409.7","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H45 K N2 O6 -","- C22 H45 K N2 O6 -","- C176 H360 K8 N16 O48 -","8","1","","Wallach, C.; Mayer, K.; Henneberger, T.; Klein, W.; Fässler, T F","Intermediates and products of the reaction of Zn(ii) organyls with tetrel element Zintl ions: cluster extension versus complexation.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6191","6198","10.1039/d0dt01096k","","","0.71073","MoKα","","0.0422","0.0353","","","0.0939","0.0987","","","","","","1.021","","","","has coordinates","252774","2020-10-21","18:00:00",""
"7704067","13.127","0.003","16.744","0.003","25.548","0.005","90","","90","","90","","5615","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H29 F3 Mn0 N4 O6 -","- C30 H29 F3 N4 O6 -","- C240 H232 F24 N32 O48 -","8","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","0.71073","MoKα","","0.0734","0.0425","","","0.0984","0.1079","","","","","","1.015","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704069","13.089","0.011","17.019","0.014","25.19","0.02","90","","90","","90","","5611","8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O6 -","- C30 H32 N4 O6 -","- C240 H256 N32 O48 -","8","1","","Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo","Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2020","49","18","5965","5973","10.1039/d0dt00799d","","","1.54178","CuKα","","0.154","0.0667","","","0.1242","0.1527","","","","","","0.976","","","","has coordinates","252815","2020-10-21","18:00:00",""
"7704102","13.7101","0.0008","14.8189","0.0006","17.3058","0.0008","90","","90","","90","","3516","0.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Cl2 N4 Ni -","- C18 H14 Cl2 N4 Ni -","- C144 H112 Cl16 N32 Ni8 -","8","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","","0.71073","MoKα","","0.047","0.0358","","","0.0893","0.0975","","","","","","1.055","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704104","13.3625","0.0002","14.1391","0.0002","20.0908","0.0002","90","","90","","90","","3795.83","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl2 N4 Ni -","- C20 H18 Cl2 N4 Ni -","- C160 H144 Cl16 N32 Ni8 -","8","1","","Khatua, Manas; Goswami, Bappaditya; Samanta, Subhas","Dehydrogenation of amines in aryl-amine functionalized pincer-like nitrogen-donor redox non-innocent ligands via ligand reduction on a Ni(ii) template.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6816","6831","10.1039/d0dt00466a","","x-ray","1.54184","CuKα","","0.0281","0.0271","","","0.0747","0.0755","","","","","","1.057","","","","has coordinates","252792","2020-10-21","18:00:00",""
"7704184","17.2336","0.0006","19.0795","0.0006","24.5532","0.0008","90","","90","","90","","8073.3","0.5","136","2","135.93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H66 Mg2 N4 Na2 O2 -","- C34 H66 Mg2 N4 Na2 O2 -","- C272 H528 Mg16 N32 Na16 O16 -","8","1","","Guo, Zhiqiang; Pang, Tengfei; Wang, Yakong; Zhang, Yongbin; Wei, Xuehong","Alkali-metal organomagnesiate complexes as catalysts for highly chemoselective crossed-Tishchenko reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6418","6424","10.1039/d0dt01114b","","","0.71073","MoKα","","0.0666","0.0561","","","0.147","0.1617","","","","","","1.062","","","","has coordinates,has disorder","252777","2020-10-21","18:00:00",""
"7704225","25.7596","0.0003","17.4114","0.0002","27.7512","0.0004","90","","90","","90","","12446.7","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(MeClamp)Ru . C6D6","[Tris(2-(3',5'-di-tert-butyl-2'-oxyphenyl)amido-4- methylphenyl)amine]ruthenium(VI)","","- C69 H78 D6 N4 O3 Ru -","- C69 H78 D6 N4 O3 Ru -","- C552 H624 D48 N32 O24 Ru8 -","8","1","","Gianino, Jacqueline; Brown, Seth N.","Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7015","7027","10.1039/d0dt01287d","","","1.54178","CuKα","","0.0339","0.0297","","","0.0754","0.0784","","","","","","1.043","","","","has coordinates,has disorder","252835","2020-10-21","18:00:00",""
"7704278","31.102","0.006","13.649","0.003","33.418","0.007","90","","90","","90","","14186","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H94 N6 O5 Zn2 -","- C75 H94 N6 O5 Zn2 -","- C600 H752 N48 O40 Zn16 -","8","1","","Song, Jian-Biao; Wang, Pengfei; Yan, Li; Hao, Liang; Khan, Maroof Ahmad; Liu, Gui-Lei; Li, Hui","Crystal structures, red-shifted luminescence and iodide-anion recognition properties of four novel D-A type Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4358","4368","10.1039/c9dt04840e","","","0.71073","MoKα","","0.1543","0.0653","","","0.1644","0.2058","","","","","","1.025","","","","has coordinates","251494","2020-10-21","18:00:00",""
"7704372","24.901","0.005","24.48","0.005","26.342","0.005","90","","90","","90","","16057","6","193.15","","193.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C172 H128 Ag4 Cl4 N2 O P4 Pt4 -","- C172 H128 Ag4 Cl4 N2 O P4 Pt4 -","- C688 H512 Ag16 Cl16 N8 O4 P16 Pt16 -","4","0.5","","Han, Li-Jing; Wu, Xiu-Xin; Ma, Zheng-Gen; Li, Yi; Wei, Qiao-Hua","Novel luminescent homo/heterometallic platinum(ii) alkynyl complexes based on Y-shaped pyridyl diphosphines.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8347","8353","10.1039/d0dt01173h","","","0.71073","MoKα","","0.0628","0.0618","","","0.1657","0.1664","","","","","","1.185","","","","has coordinates,has disorder","253861","2020-10-21","18:00:00",""
"7704407","17.115","0.003","21.523","0.004","27.618","0.005","90","","90","","90","","10174","3","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H60 Cl2 N8 O10 V -","- C53 H60 Cl2 N8 O10 V -","- C424 H480 Cl16 N64 O80 V8 -","8","1","","Peterson, Madeline; Hunt, Camden; Wang, Zongheng; Heinrich, Shannon E.; Wu, Guang; Ménard, Gabriel","Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16268","16277","10.1039/d0dt01372b","","","0.71073","MoKα","","0.0475","0.0385","","","0.1006","0.1072","","","","","","1.049","","","","has coordinates","260776","2021-01-07","06:28:06",""
"7704417","18.1032","0.0015","13.331","0.0011","29.071","0.002","90","","90","","90","","7015.8","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H33 Cl2 Co N7 O9 -","- C31 H31 Cl2 Co N7 O9 -","- C248 H248 Cl16 Co8 N56 O72 -","8","1","","Yi, Gangji; Zhang, Chunyang; Zhao, Wen; Cui, Huihui; Chen, Lei; Wang, Zhenxing; Chen, Xue-Tai; Yuan, Aihua; Liu, Yuan-Zhong; Ouyang, Zhong-Wen","Structure, magnetic anisotropy and relaxation behavior of seven-coordinate Co(ii) single-ion magnets perturbed by counter-anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7620","7627","10.1039/d0dt01232g","","","0.71073","MoKα","","0.1475","0.0653","","","0.127","0.1534","","","","","","1.032","","","","has coordinates,has disorder","253889","2020-10-21","18:00:00",""
"7704497","17.4581","0.0011","21.4285","0.0014","23.3399","0.0014","90","","90","","90","","8731.5","0.9","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70 H114 Co4 Dy2 N2 O28 -","- C70 H114 Co4 Dy2 N2 O28 -","- C280 H456 Co16 Dy8 N8 O112 -","4","0.5","","Basak, Dipmalya; van Leusen, Jan; Gupta, Tulika; Kögerler, Paul; Ray, Debashis","Synthetic diversity and change in nuclearity in [Co-Dy] coordination aggregates: bridge removal, solvent induced structural reorganization and AC susceptibility measurements.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7576","7591","10.1039/d0dt01728k","","","0.71073","MoKα","","0.0682","0.0332","","","0.0631","0.0725","","","","","","0.979","","","","has coordinates","253886","2020-10-21","18:00:00",""
"7704512","12.9301","0.0004","11.3677","0.0004","29.4791","0.0017","90","","90","","90","","4333","0.3","104.79","0.12","104.79","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-([1,3,4]azadiphospholo[1,2-a]pyridin-3-yloxy)-N,N,N',N'-tetraisopropylphosphanediamine","","- C18 H32 N3 O P3 -","- C18 H32 N3 O P3 -","- C144 H256 N24 O8 P24 -","8","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0484","0.0396","","","0.0844","0.0881","","","","","","1.113","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704513","28.4804","0.001","18.1858","0.0006","16.884","0.0004","90","","90","","90","","8744.9","0.5","106.48","0.14","106.48","0.14","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H41 Mo N3 O9 P6 Si -","- C39 H41 Mo N3 O9 P6 Si -","- C312 H328 Mo8 N24 O72 P48 Si8 -","8","1","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.1227","0.0972","","","0.1556","0.1639","","","","","","1.335","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704538","18.1593","0.0002","20.9946","0.0002","23.5554","0.0002","90","","90","","90","","8980.43","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H61 N3 P2 Pd Si -","- C46 H61 N3 P2 Pd Si -","- C368 H488 N24 P16 Pd8 Si8 -","8","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Laglera-Gándara, Carlos J; Pérez-Carreño, Enrique","Phosphane-functionalized heavier tetrylenes: synthesis of silylene- and germylene-decorated phosphanes and their reactions with Group 10 metal complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8331","8339","10.1039/d0dt01727b","","","1.5418","CuKα","","0.0276","0.0255","","","0.0662","0.0677","","","","","","1.027","","","","has coordinates","253854","2020-10-21","18:00:00",""
"7704600","15.1305","0.0007","10.1117","0.0003","29.952","0.0009","90","","90","","90","","4582.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N8 S -","- C25 H20 N8 S -","- C200 H160 N64 S8 -","8","1","","Pantalon Juraj, Natalija; Krklec, Marko; Novosel, Tiana; Perić, Berislav; Vianello, Robert; Raić-Malić, Silvana; Kirin, Srećko I","Copper(ii) and zinc(ii) complexes of mono- and bis-1,2,3-triazole-substituted heterocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9002","9015","10.1039/d0dt01244k","","","1.54184","CuKα","","0.0996","0.079","","","0.2492","0.2784","","","","","","1.068","","","","has coordinates","254984","2020-10-21","18:00:00",""
"7704657","9.6692","0.0002","9.2447","0.0002","25.8542","0.0006","90","","90","","90","","2311.08","0.09","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","PH2C(O)NHCH2[Fe]","","- C12 H14 Fe N O P -","- C12 H14 Fe N O P -","- C96 H112 Fe8 N8 O8 P8 -","8","1","","Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr","Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8645","8651","10.1039/d0dt01908a","","","1.54178","CuKα","","0.0336","0.0278","","","0.0661","0.0699","","","","","","1.058","","","","has coordinates","253896","2020-10-21","18:00:00",""
"7704676","13.9751","0.0011","12.735","0.001","25.293","0.002","90","","90","","90","","4501.5","0.6","103","","103","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Fe Mo O5 P2 S2 -","- C17 H22 Fe Mo O5 P2 S2 -","- C136 H176 Fe8 Mo8 O40 P16 S16 -","8","1","","Tsukada, Satoru; Abe, Takayuki; Abe, Naoya; Nakashima, Satoru; Yamamoto, Kazuki; Gunji, Takahiro","Benzenedithiolate-bridged MoFe complexes: structures, oxidation states, and reactivities.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9048","9056","10.1039/d0dt01428a","","","0.71073","MoKα","","0.043","0.0325","","","0.0705","0.0742","","","","","","1.07","","","","has coordinates","254988","2020-10-21","18:00:00",""
"7704708","13.8454","0.0003","13.2083","0.0003","21.4808","0.0007","90","","90","","90","","3928.28","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Br Ge N3 -","- C18 H26 Br Ge N3 -","- C144 H208 Br8 Ge8 N24 -","8","1","","Zhou, Xueer; Vasko, Petra; Hicks, Jamie; Fuentes, M Ángeles; Heilmann, Andreas; Kolychev, Eugene L.; Aldridge, Simon","Cooperative N-H bond activation by amido-Ge(ii) cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9495","9504","10.1039/d0dt01960g","","","1.54184","CuKα","","0.057","0.0406","","","0.0905","0.0983","","","","","","1.052","","","","has coordinates","254978","2020-10-21","18:00:00",""
"7704762","11.8683","0.0005","11.8704","0.0005","28.4192","0.0014","90","","90","","90","","4003.7","0.3","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H36 B Mn P4 -","- C12 H36 B Mn P4 -","- C96 H288 B8 Mn8 P32 -","8","1","","Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.","Reactions of [(dmpe)<sub>2</sub>MnH(C<sub>2</sub>H<sub>4</sub>)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9983","9994","10.1039/d0dt01726d","","","0.71073","MoKα","","0.0596","0.0557","","","0.1282","0.1299","","","","","","1.201","","","","has coordinates","254945","2020-10-21","18:00:00",""
"7704778","16.19031","0.00012","19.05235","0.00016","29.7018","0.0003","90","","90","","90","","9161.92","0.14","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F3 O4 P2 Ru S -","- C51 H55 F3 O4 P2 Ru S -","- C408 H440 F24 O32 P16 Ru8 S8 -","8","1","","Mueller, Benjamin R. J.; Schley, Nathan D.","Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10114","10119","10.1039/d0dt00786b","","x-ray","1.54184","CuKα","","0.0436","0.0388","","","0.094","0.0972","","","","","","1.023","","","","has coordinates","254953","2020-10-21","18:00:00",""
"7704854","17.179","0.0008","14.6705","0.0007","30.3404","0.0014","90","","90","","90","","7646.5","0.6","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H49 Cl0 Co2 F12 N3 P2 S2 -","- C28 H49 Co2 F12 N3 P2 S2 -","- C224 H392 Co16 F96 N24 P16 S16 -","8","1","","Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping","Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11260","11267","10.1039/d0dt02133d","","","0.71073","MoKα","","0.0661","0.0548","","","0.1508","0.1588","","","","","","1.025","","","","has coordinates","256063","2020-10-21","18:00:00",""
"7704863","7.9369","0.0005","22.7369","0.0014","28.4099","0.0016","90","","90","","90","","5126.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl3 Ir N4 -","- C27 H26 Cl3 Ir N4 -","- C216 H208 Cl24 Ir8 N32 -","8","1","","Melis, Diana R.; Barnett, Christopher B.; Wiesner, Lubbe; Nordlander, Ebbe; Smith, Gregory S.","Quinoline-triazole half-sandwich iridium(III) complexes: synthesis, antiplasmodial activity and preliminary transfer hydrogenation studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11543","11555","10.1039/d0dt01935f","","","0.71073","MoKα","","0.049","0.0266","","","0.0482","0.0546","","","","","","1.011","","","","has coordinates","256070","2020-10-21","18:00:00",""
"7704889","14.8846","0.0002","14.9936","0.0002","19.007","0.0003","90","","90","","90","","4241.86","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl2 Ga N -","- C20 H32 Cl2 Ga N -","- C160 H256 Cl16 Ga8 N8 -","8","1","","Hock, Andreas; Werner, Luis; Luz, Christian; Radius, Udo","N-Heterocyclic carbene and cyclic (alkyl)(amino)carbene adducts of gallium hydrides, gallium chlorides and gallium hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11108","11119","10.1039/d0dt02070b","","","1.54184","CuKα","","0.0531","0.0501","","","0.1347","0.1379","","","","","","1.072","","","","has coordinates","256062","2020-10-21","18:00:00",""
"7704920","11.6103","0.0008","19.6212","0.0014","31.014","0.002","90","","90","","90","","7065.2","0.8","192","2","192","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 Br Mo2 O14 Ti2 -","- C25 H47 Br Mo2 O14 Ti2 -","- C200 H376 Br8 Mo16 O112 Ti16 -","8","1","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.1097","0.0633","","","0.137","0.1572","","","","","","1.145","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7704922","11.592","0.003","19.701","0.005","30.995","0.007","90","","90","","90","","7078","3","192","2","192","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H94 Cl2 Mo4 O28 Ti4 -","- C50 H92.3482 Cl2 Mo4 O28 Ti4 -","- C200 H369.393 Cl8 Mo16 O112 Ti16 -","4","0.5","","Yang, Lei; Shu, Xian-Ping; Fu, Meng-Yuan; Wang, Hao-Yu; Zhu, Qin-Yu; Dai, Jie","Molybdenum-titanium oxo-cluster, an efficient electrochemical catalyst for the facile preparation of black titanium dioxide film.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10516","10522","10.1039/d0dt01959c","","","0.71073","MoKα","","0.0944","0.0691","","","0.1513","0.181","","","","","","1.164","","","","has coordinates,has disorder","257527","2020-10-21","18:00:00",""
"7705025","20.887","0.004","22.592","0.005","33.244","0.007","90","0.03","90","0.03","90","0.03","15687","6","120","2","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","SCIF-2","","- C47 H87 In10 N13 S17 -","- C47 H87 In10 N13 S17 -","- C376 H696 In80 N104 S136 -","8","1","","Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao","Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11489","11492","10.1039/d0dt02492a","","","0.71073","MoKα","","0.0323","0.0274","","","0.0504","0.0517","","","","","","1.15","","","","has coordinates","256073","2020-10-21","18:00:00",""
"7705060","22.862","0.005","9.491","0.002","26.992","0.005","90","","90","","90","","5857","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H36 N P -","- C31 H36 N P -","- C248 H288 N8 P8 -","8","1","","Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng","Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12311","12318","10.1039/d0dt02708a","","x-ray","0.71076","MoKα","","0.1496","0.0941","","","0.1924","0.2233","","","","","","1.028","","","","has coordinates","257557","2020-10-21","18:00:00",""
"7705075","16.0485","0.0005","8.2154","0.0002","22.2672","0.0006","90","","90","","90","","2935.82","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C112 H136 N24 O40 -","8","1","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.1417","0.0793","","","0.1896","0.209","","","","","","1.046","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705103","19.2467","0.0007","15.3525","0.0005","23.2322","0.0008","90","","90","","90","","6864.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H104 Cl2 Dy2 N4 O4 -","- C68 H104 Cl2 Dy2 N4 O4 -","- C272 H416 Cl8 Dy8 N16 O16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behavior in heterolopetic Dy<sup>3+</sup>-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11890","11901","10.1039/d0dt02305a","","","0.71073","MoKα","","0.0295","0.0211","","","0.0451","0.048","","","","","","1.057","","","","has coordinates,has disorder","256117","2020-10-21","18:00:00",""
"7705149","10.379","0.004","16.873","0.006","30.938","0.011","90","","90","","90","","5418","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H23 F6 Ir N7 O P -","- C26 H21 F6 Ir N7 P -","- C208 H168 F48 Ir8 N56 P8 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.1025","0.046","","","0.074","0.0854","","","","","","0.894","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705150","10.7474","0.0016","17.421","0.003","31.295","0.005","90","","90","","90","","5859.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 Ir N5 O P -","- C30 H25 F6 Ir N5 O P -","- C240 H200 F48 Ir8 N40 O8 P8 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0878","0.0416","","","0.0754","0.0853","","","","","","0.983","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705152","17.859","0.003","16.147","0.003","21.284","0.003","90","","90","","90","","6137.7","1.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cl2 Ir N7 -","- C31 H30 Cl2 Ir N7 -","- C248 H240 Cl16 Ir8 N56 -","8","1","","Abdolla, Noreldin S. Y.; Davies, David L.; Lowe, Mark P.; Singh, Kuldip","Bis-cyclometallated Ir(III) complexes containing 2-(1<i>H</i>-pyrazol-3-yl)pyridine ligands; influence of substituents and cyclometallating ligands on response to changes in pH.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12025","12036","10.1039/d0dt02434a","","","0.71073","MoKα","","0.0848","0.0461","","","0.09","0.1005","","","","","","0.946","","","","has coordinates","256105","2020-10-21","18:00:00",""
"7705189","19.1247","0.0008","19.4899","0.001","21.8687","0.0012","90","","90","","90","","8151.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H58 Fe N4 O -","- C44 H58 Fe N4 O -","- C352 H464 Fe8 N32 O8 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1197","0.0552","","","0.1173","0.1437","","","","","","1.007","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705206","16.419","0.003","15.663","0.003","24.142","0.005","90","","90","","90","","6209","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H90 Ag2 Cl2 N4 P2 -","- C64 H90 Ag2 Cl2 N4 P2 -","- C256 H360 Ag8 Cl8 N16 P8 -","4","0.5","","Siewert, Jan-Erik; Schumann, André; Fischer, Malte; Schmidt, Christoph; Taeufer, Tobias; Hering-Junghans, Christian","Terphenyl(bisamino)phosphines: electron-rich ligands for gold-catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12354","12364","10.1039/d0dt02435j","","","0.71073","MoKα","","0.0386","0.0291","","","0.0749","0.0771","","","","","","0.929","","","","has coordinates,has disorder","257564","2020-10-21","18:00:00",""
"7705254","12.2679","0.0005","24.0778","0.0019","24.2183","0.0008","90","","90","","90","","7153.7","0.7","150","0.1","150","0.1","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Au B Cl F6 N6 O2 P2 W -","- C26 H33 Au B Cl F6 N6 O2 P2 W -","- C208 H264 Au8 B8 Cl8 F48 N48 O16 P16 W8 -","8","1","","Onn, Chee S.; Hill, Anthony F.; Olding, Angus","Metal coordination of phosphoniocarbynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12731","12741","10.1039/d0dt02737e","","x-ray","0.71073","MoKα","","0.0997","0.0669","","","0.1528","0.176","","","","","","1.1","","","","has coordinates","257545","2020-10-21","18:00:00",""
"7705282","21.1904","0.0015","7.7771","0.0005","30.828","0.002","90","","90","","90","","5080.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C144 H128 Br48 N16 Pb16 -","16","2","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0589","0.0397","","","0.0966","0.1093","","","","","","1.071","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705286","21.3526","0.0015","7.7783","0.0005","31.168","0.0002","90","","90","","90","","5176.6","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Br3 N Pb -","- C9 H8 Br3 N Pb -","- C144 H128 Br48 N16 Pb16 -","16","2","","Guo, Yuan-Yuan; Lightfoot, Philip","Structural diversity of lead halide chain compounds, APbX<sub>3</sub>, templated by isomeric molecular cations.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12767","12775","10.1039/d0dt02782k","","","0.71075","MoKα","","0.0692","0.0412","","","0.0979","0.112","","","","","","0.912","","","","has coordinates","257544","2020-10-21","18:00:00",""
"7705298","7.845","0.0002","19.7471","0.0006","29.7999","0.001","90","","90","","90","","4616.5","0.2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O2 Pt -","- C31 H23 N O2 Pt -","- C248 H184 N8 O16 Pt8 -","8","1","","Expósito, J Emilio; Aullón, Gabriel; Bardají, Manuel; Miguel, Jesús A; Espinet, Pablo","Fluorescent perylenylpyridine complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13326","13338","10.1039/d0dt02494e","","","0.71073","MoKα","","0.0574","0.0325","","","0.053","0.0596","","","","","","1.069","","","","has coordinates","258860","2020-11-06","12:22:16",""
"7705370","17.10349","0.00006","17.98863","0.00008","28.79512","0.00012","90","","90","","90","","8859.35","0.06","149.99","0.1","149.99","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C42.17 H32 Cr F17.48 N8 O0.52 P2.83 S0.17 -","- C42.174 H32 Cr F17.478 N8 O0.522 P2.826 S0.174 -","- C337.392 H256 Cr8 F139.824 N64 O4.176 P22.608 S1.392 -","8","1","","Jiménez, Juan-Ramón; Poncet, Maxime; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Luminescent polypyridyl heteroleptic Cr<sup>III</sup> complexes with high quantum yields and long excited state lifetimes.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13528","13532","10.1039/d0dt02872j","","x-ray","1.54184","CuKα","","0.0459","0.0452","","","0.12","0.1206","","","","","","1.04","","","","has coordinates,has disorder","258826","2020-11-06","12:10:59",""
"7705500","7.4929","0.0002","11.727","0.0003","16.9268","0.0005","90","","90","","90","","1487.35","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H4 S3 Se -","- C5 H4 S3 Se -","- C40 H32 S24 Se8 -","8","1","","Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel","Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13737","13743","10.1039/d0dt02931a","","","0.71073","MoKα","","0.0214","0.0184","","","0.0449","0.0458","","","","","","1.054","","","","has coordinates","258821","2020-11-06","12:09:48",""
"7705608","30.306","0.002","26.652","0.002","32.356","0.003","90","","90","","90","","26134","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C92.5 H176.5 Cd Fe8 O44.5 -","- C92.5 H176.5 Cd0.9999 Fe8 O44.5 -","- C740 H1412 Cd7.9992 Fe64 O356 -","8","1","","Lutsenko, Irina A.; Kiskin, Mikhail A.; Lysenko, Konstantin A.; Zueva, Ekaterina M.; Efimov, Nikolay N.; Ugolkova, Elena A.; Maksimov, Yurii V.; Imshennik, Vladimir K.; Petrova, Maria M.; Sidorov, Aleksey A.; Eremenko, Igor L.","A new heterometallic pivalate {Fe<sub>8</sub>Cd} complex as an example of unusual ""ferric wheel"" molecular self-assembly.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15175","15179","10.1039/d0dt03142a","","","0.71073","MoKα","","0.1788","0.0815","","","0.1874","0.2316","","","","","","1.091","","","","has coordinates,has disorder","260737","2021-01-07","06:13:19",""
"7705655","12.7694","0.0001","19.3085","0.0002","20.1949","0.0002","90","","90","","90","","4979.21","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl5 N2 Pt S -","- C18 H31 Cl5 N2 Pt S -","- C144 H248 Cl40 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0302","0.0241","","","0.0551","0.0575","","","","","","1.052","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705657","18.2534","0.0002","19.4975","0.0002","37.0427","0.0003","90","","90","","90","","13183.3","0.2","100.8","0.1","100.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H64 Cl8 N2 Pt S -","- C73 H64 Cl8 N2 Pt S -","- C584 H512 Cl64 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","1.54184","CuKα","","0.0535","0.041","","","0.0968","0.1043","","","","","","1.039","","","","has coordinates","258787","2020-11-06","11:57:14",""
"7705682","27.3275","0.0002","17.6404","0.0002","31.0011","0.0003","90","","90","","90","","14944.6","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{[(NDipp)C(CH3)]2CH}GaPGa[(NDipp)2C12H5]*2tol","","- C84 H102 Ga2 N5 P -","- C84 H102 Ga2 N5 P -","- C672 H816 Ga16 N40 P8 -","8","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0613","0.0412","","","0.1001","0.1108","","","","","","1.036","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705769","13.38","0.005","13.438","0.005","19.996","0.007","90","","90","","90","","3595","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 B N O3 Si V -","- C15 H23 B N O3 Si V -","- C120 H184 B8 N8 O24 Si8 V8 -","8","1","","Macha, Bret B.; Dhara, Debabrata; Radacki, Krzysztof; Dewhurst, Rian D.; Braunschweig, Holger","Intermetallic transfer of unsymmetrical borylene fragments: isolation of the second early-transition-metal terminal borylene complex and other rare species.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17719","17724","10.1039/d0dt03557b","","","0.71073","MoKα","","0.028","0.0232","","","0.06","0.064","","","","","","1.053","","","","has coordinates","260767","2021-01-07","06:24:02",""
"7705820","12.5724","0.0005","17.8509","0.0008","20.6212","0.001","90","","90","","90","","4628","0.4","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Al2 N4 -","- C20 H42 Al2 N4 -","- C160 H336 Al16 N32 -","8","1","","Sandig-Predzymirska, Lesia; Ortmeyer, Jochen; Wagler, Jörg; Brendler, Erica; Habermann, Franziska; Anders, Martin; Felderhoff, Michael; Mertens, Florian","The direct and reversible hydrogenation of activated aluminium supported by piperidine.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17689","17698","10.1039/d0dt03175e","","","0.71073","MoKα","","0.0681","0.0473","","","0.1129","0.1216","","","","","","1.102","","","","has coordinates,has disorder","260756","2021-01-07","06:19:55",""
"7705941","9.176","0.002","22.801","0.005","34.588","0.007","90","","90","","90","","7237","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H44 B20 Ir N S3 -","- C23 H44 B20 Ir N S3 -","- C184 H352 B160 Ir8 N8 S24 -","8","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54184","CuKα","","0.0361","0.0264","","","0.0541","0.0582","","","","","","1.086","","","","has coordinates,has disorder","261697","2021-02-04","23:20:01",""
"7706065","28.8956","0.0015","19.3068","0.0008","30.5515","0.0015","90","","90","","90","","17044.1","1.4","120","2","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C87 H136 N2 Nd2 O11 -","- C87 H136 N2 Nd2 O11 -","- C696 H1088 N16 Nd16 O88 -","8","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0617","0.0371","","","0.0769","0.0926","","","","","","1.116","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706069","28.9251","0.0015","19.4673","0.001","30.6233","0.0016","90","","90","","90","","17243.8","1.5","120","2","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H136 La2 N2 O10 -","- C90.0038 H136 La2 N2 O10 -","- C720.03 H1088 La16 N16 O80 -","8","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0465","0.0375","","","0.083","0.0867","","","","","","1.109","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706213","16.342","0.01","12.08","0.007","30.005","0.019","90","","90","","90","","5923","6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H92 B4 O4 P2 Si4 Sr -","- C42 H92 B4 O4 P2 Si4 Sr -","- C168 H368 B16 O16 P8 Si16 Sr4 -","4","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","0.6889","synchrotron","","0.168","0.0767","","","0.1653","0.2032","","","","","","1.024","","","","has coordinates,has disorder","261695","2021-02-04","23:19:32",""
"7706214","15.9886","0.0005","11.9737","0.0004","29.3298","0.0008","90","","90","","90","","5615","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H92 B4 Ca O4 P2 Si4 -","- C42 H92 B4 Ca O4 P2 Si4 -","- C168 H368 B16 Ca4 O16 P8 Si16 -","4","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","0.71073","MoKα","","0.0866","0.0391","","","0.084","0.0905","","","","","","0.884","","","","has coordinates,has disorder","261695","2021-02-04","23:19:32",""
"7706322","16.9371","0.0003","9.5887","0.0001","25.1582","0.0004","90","","90","","90","","4085.81","0.11","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C192 H160 N64 -","16","2","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0518","0.0402","","","0.0964","0.1061","","","","","","1.063","","","","has coordinates","261652","2021-02-04","23:11:12",""
"7706443","17.206","0.002","9.715","0.002","25.399","0.003","90","","90","","90","","4245.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Cl3 Ge2 -","- C17 H29 Cl3 Ge2 -","- C136 H232 Cl24 Ge16 -","8","1","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0299","0.0271","","","0.0614","0.0622","","","","","","1.232","","","","has coordinates,has disorder","262630","2021-03-05","02:01:08",""
"7706536","13.4299","0.0011","11.7318","0.0009","23.8209","0.0019","90","","90","","90","","3753.1","0.5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ge2 Si6 Te4 -","- C20 H56 Ge2 Si6 Te4 -","- C80 H224 Ge8 Si24 Te16 -","4","0.5","","Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas","LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2663","2670","10.1039/d0dt04280c","","x-ray","0.71073","MoKα","","0.0608","0.0492","","","0.1257","0.1342","","","","","","1.049","","","","has coordinates,has disorder","262659","2021-03-05","02:09:22",""
"7706567","17.173","0.003","16.506","0.003","31.917","0.006","90","","90","","90","","9047","3","163.15","","163.15","","","","","","","","no","7","P b c a","-P 2ac 2ab","61","1(BF4)-MeCN-163K","1(BF4)-MeCN-163K","","- C48 H41 B2 F8 Fe N7 O4 -","- C48 H41 B2 F8 Fe N7 O4 -","- C384 H328 B16 F64 Fe8 N56 O32 -","8","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.0907","0.0839","","","0.1378","0.1407","","","","","","1.292","","","","has coordinates","263753","2021-04-05","14:47:58",""
"7706588","13.812","0.003","18.927","0.003","19.852","0.003","90","","90","","90","","5189.7","1.6","173","2","173.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Br N O3 Re S2 -","- C24 H25 Br N O3 Re S2 -","- C192 H200 Br8 N8 O24 Re8 S16 -","8","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","x-ray","0.71073","MoKα","","0.0237","0.0188","","","0.043","0.0445","","","","","","1.026","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706634","17.898","0.002","15.3388","0.0017","18.208","0.002","90","","90","","90","","4998.7","1","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Eu N2 O10 -","- C19 H17 Eu N2 O10 -","- C152 H136 Eu8 N16 O80 -","8","1","","Zhao, Jiao-Jiao; Liu, Peng-Yu; Song, Li-Jun; Zhang, Lei; Liu, Zhi-Liang; Wang, Yan-Qin","A water stable Eu(III)-organic framework as a recyclable multi-responsive luminescent sensor for efficient detection of <i>p</i>-aminophenol in simulated urine, and Mn<sup>VII</sup> and Cr<sup>VI</sup> anions in aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5236","5243","10.1039/d1dt00112d","","","0.71073","MoKα","","0.0577","0.0445","","","0.1315","0.1388","","","","","","1.085","","","","has coordinates,has disorder","264905","2021-05-05","08:42:11",""
"7706764","12.4629","0.0002","13.7526","0.0002","17.5032","0.0006","90","","90","","90","","3000","0.12","112","17","112","17","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[MoOCl3(PrS(CH2)2SPr)]","","- C8 H18 Cl3 Mo O S2 -","- C8 H18 Cl3 Mo O S2 -","- C64 H144 Cl24 Mo8 O8 S16 -","8","1","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.06","0.0461","","","0.1002","0.1074","","","","","","1.073","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706784","18.7538","0.0015","17.9377","0.0014","23.5541","0.0017","90","","90","","90","","7923.6","1.1","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H37 Au Br2 Cl2 Fe P2 -","- C42 H37 Au Br2 Cl2 Fe P2 -","- C336 H296 Au8 Br16 Cl16 Fe8 P16 -","8","1","","Rousselle, Benjamin; Bouyer, Florence; Bayardon, Jérôme; Laly, Myriam; Ghiringhelli, François; Rousselin, Yoann; Bodio, Ewen; Malacea-Kabbara, Raluca","Development of a novel highly anti-proliferative family of gold complexes: Au(i)-phosphonium-phosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4880","4889","10.1039/d0dt03708g","","x-ray","0.71073","MoKα","","0.0408","0.0291","","","0.0576","0.0609","","","","","","1.066","","","","has coordinates","266072","2021-06-05","18:50:16",""
"7706926","17.2978","0.0007","23.0874","0.0009","34.2506","0.0014","90","","90","","90","","13678.4","1","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H116 Cr K N2 O8 Si2 -","- C61.999 H115.998 Cr K N2 O8 Si2 -","- C495.992 H927.984 Cr8 K8 N16 O64 Si16 -","8","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0544","0.0364","","","0.0723","0.0781","","","","","","1.054","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7707027","7.7879","0.0004","18.4219","0.0011","24.4619","0.0012","90","","90","","90","","3509.5","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Ge N6 -","- C20 H16 Ge N6 -","- C160 H128 Ge8 N48 -","8","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0821","0.0473","","","0.074","0.0821","","","","","","1.057","","","","has coordinates","266085","2021-06-05","18:53:34",""
"7707059","14.9579","0.0013","10.8069","0.0007","20.2117","0.0018","90","","90","","90","","3267.2","0.5","283","2","283","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cd F N4 S3 -","- C11 H17 Cd F N4 S3 -","- C88 H136 Cd8 F8 N32 S24 -","8","1","","Wang, Yu-Zhen; Zhang, Zhi-Xu; Su, Chang-Yuan; Zhang, Tie; Fu, Da-Wei; Zhang, Yi","A-site cation with high vibrational motion in ABX<sub>3</sub> perovskite effectively induces dielectric phase transition.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3841","3847","10.1039/d0dt04415f","","","0.71073","MoKα","","0.0329","0.0233","","","0.0541","0.0559","","","","","","1.074","","","","has coordinates","263609","2021-04-04","22:02:29",""
"7707060","16.4557","0.0013","10.7894","0.0005","19.3242","0.0019","90","","90","","90","","3431","0.5","333","2","333","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H0 Cd F N4 S3 -","- C11 Cd F N4 S3 -","- C88 Cd8 F8 N32 S24 -","8","1","","Wang, Yu-Zhen; Zhang, Zhi-Xu; Su, Chang-Yuan; Zhang, Tie; Fu, Da-Wei; Zhang, Yi","A-site cation with high vibrational motion in ABX<sub>3</sub> perovskite effectively induces dielectric phase transition.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3841","3847","10.1039/d0dt04415f","","","0.71073","MoKα","","0.1832","0.1446","","","0.4167","0.4452","","","","","","1.094","","","","has coordinates,has disorder","263609","2021-04-04","22:02:29",""
"7707073","16.2609","0.0002","13.8629","0.0001","17.0202","0.0002","90","","90","","90","","3836.75","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N4 Ru -","- C18 H24 Cl2 N4 Ru -","- C144 H192 Cl16 N32 Ru8 -","8","1","","Fandzloch, Marzena; Jędrzejewski, Tomasz; Dobrzańska, Liliana; Esteban-Parra, Ginés M; Wiśniewska, Joanna; Paneth, Agata; Paneth, Piotr; Sitkowski, Jerzy","New organometallic ruthenium(ii) complexes with purine analogs - a wide perspective on their biological application.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5557","5573","10.1039/d0dt03974h","","","0.71073","MoKα","","0.0361","0.0323","","","0.0838","0.0875","","","","","","1.06","","","","has coordinates","266027","2021-06-05","18:37:12",""
"7707092","16.7844","0.001","16.1909","0.001","23.1012","0.0014","90","","90","","90","","6277.9","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H12 Cl2 N4 O6 P4 -","- C6 H12 Cl2 N4 O6 P4 -","- C96 H192 Cl32 N64 O96 P64 -","16","2","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap","Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6673","6681","10.1039/d1dt00386k","","","0.71073","MoKα","","0.0526","0.0358","","","0.0878","0.1021","","","","","","1.078","","","","has coordinates","266018","2021-06-05","18:35:15",""
"7707110","16.027","0.011","16.087","0.01","22.522","0.015","90","","90","","90","","5807","7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H74 As2 Cl2 O14 Pt -","- C58 H74 As2 Cl2 O14 Pt -","- C232 H296 As8 Cl8 O56 Pt4 -","4","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","","0.71075","MoKα","","0.0803","0.0606","","","0.1424","0.1533","","","","","","1.13","","","","has coordinates","266014","2021-06-05","18:34:28",""
"7707111","15.4501","0.0004","15.5883","0.0006","22.6136","0.0006","90","","90","","90","","5446.3","0.3","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H66 As2 Cl2 O12 Pt -","- C56 H66 As2 Cl2 O12 Pt -","- C224 H264 As8 Cl8 O48 Pt4 -","4","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","x-ray","0.71073","MoKα","","0.0584","0.0392","","","0.092","0.104","","","","","","1.071","","","","has coordinates,has disorder","266014","2021-06-05","18:34:28",""
"7707140","12.0454","0.0015","7.0212","0.0009","21.535","0.003","90","","90","","90","","1821.3","0.4","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga Na5 S4 -","- Ga Na5 S4 -","- Ga8 Na40 S32 -","8","1","","Balijapelly, Srikanth; Sandineni, Prashanth; Adhikary, Amit; Gerasimchuk, Nikolay N.; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Ternary alkali ion thiogallates, A<sub>5</sub>GaS<sub>4</sub> (A = Li and Na), with isolated tetrahedral building units and their ionic conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7372","7379","10.1039/d1dt00766a","","","0.71073","MoKα","","0.0341","0.029","","","0.0733","0.0764","","","","","","1.059","","","","has coordinates","266111","2021-06-05","19:02:56",""
"7707143","20.135","0.001","20.793","0.001","25.05","0.002","90","","90","","90","","10487.6","1.1","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C74 F42 -","- C74 F42.001 -","- C592 F336.008 -","8","1","","Tamm, Nadezhda B.; Markov, Vitaliy Yu; Troyanov, Sergey I.","Trifluoromethyl derivatives of pentagon-fused C<sub>60</sub>: <sup>1809</sup>C<sub>60</sub>(CF<sub>3</sub>)<sub>n</sub> (n = 10, 12, 14, 16).","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5765","5769","10.1039/d1dt00493j","","","0.8266","synchrotron","","0.1001","0.0733","","","0.1753","0.1856","","","","","","1.005","","","","has coordinates","266007","2021-06-05","18:32:21",""
"7707144","9.63257","0.00014","16.0028","0.0003","31.8147","0.0005","90","","90","","90","","4904.18","0.14","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 N6 O3 S Zn -","- C24 H18 N6 O3 S Zn -","- C192 H144 N48 O24 S8 Zn8 -","8","1","","Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6823","6833","10.1039/d1dt00657f","","x-ray","1.54184","CuKα","","0.0458","0.0418","","","0.1067","0.1089","","","","","","1.082","","","","has coordinates","266038","2021-06-05","18:39:56",""
"7707197","17.0748","0.0009","7.2456","0.0004","21.3863","0.001","90","","90","","90","","2645.9","0.2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Co N2 O8 -","- C11 H14 Co N2 O8 -","- C88 H112 Co8 N16 O64 -","8","1","","Liang, Shuai; Ge, Fa-Yuan; Ren, Shuang-Shuang; Lei, Ming-Yuan; Gao, Xiang-Jing; Zheng, He-Gen","Molecular engineering in a family of pillared-layered metal-organic frameworks for tuning gas adsorption behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7409","7416","10.1039/d1dt00431j","","","0.71073","MoKα","","0.0484","0.0305","","","0.0641","0.0701","","","","","","1.036","","","","has coordinates","266095","2021-06-05","18:59:03",""
"7707288","9.5665","0.0019","6.7226","0.0013","50.601","0.01","90","","90","","90","","3254.2","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H15 N17 O6 -","- C5 H15 N17 O6 -","- C40 H120 N136 O48 -","8","1","","Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo","Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7456","7463","10.1039/d1dt00527h","","","0.71073","MoKα","","0.1103","0.0924","","","0.1753","0.1848","","","","","","1.212","","","","has coordinates","266104","2021-06-05","19:01:05",""
"7707324","19.30536","0.0001","21.42084","0.0001","30.38661","0.00015","90","","90","","90","","12566","0.11","123.01","0.1","123.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H56 Au4 Cl6 N2 P4 -","- C63 H56 Au4 Cl6 N2 P4 -","- C504 H448 Au32 Cl48 N16 P32 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari","Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8154","8166","10.1039/d1dt00402f","","","1.54184","CuKα","","0.0282","0.027","","","0.0639","0.0646","","","","","","1.117","","","","has coordinates","267203","2021-07-05","17:45:59",""
"7707342","12.2001","0.0002","10.0229","0.0002","30.9937","0.0004","90","","90","","90","","3789.92","0.11","150.01","0.1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tertbutyl 2-[(2,6-di(pyrazol-1-yl)pyridine)-4-carboxamido]acetate","","- C18 H20 N6 O3 -","- C18 H20 N6 O3 -","- C144 H160 N48 O24 -","8","1","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.0464","0.0397","","","0.1055","0.1112","","","","","","1.055","","","","has coordinates","266109","2021-06-05","19:02:35",""
"7707370","16.1522","0.0018","9.8495","0.0011","19.642","0.002","90","","90","","90","","3124.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H44 Mn3 O38 P4 Ru2 -","- H44 Mn3 O38 P4 Ru2 -","- H176 Mn12 O152 P16 Ru8 -","4","0.5","","Xue, Xiang-Xian; Ding, Tuo; Zhang, Pei; Yang, Jian-Hui; Liu, Bin","Interlayer hydrogen bonding directed magnetic properties for a different number of water-intercalated structural heterometallic phosphates based on paddlewheel units Ru<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub><sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8364","8371","10.1039/d1dt00896j","","","0.71073","MoKα","","0.0476","0.0468","","","0.1445","0.1455","","","","","","1.087","","","","has coordinates","267147","2021-07-05","17:30:07",""
"7707504","17.3711","0.0002","12.4969","0.0002","18.2513","0.0002","90","","90","","90","","3962.08","0.09","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H32 B Cl N2 -","- C19 H32 B Cl N2 -","- C152 H256 B8 Cl8 N16 -","8","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0372","0.032","","","0.083","0.0869","","","","","","1.058","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707597","10.822","0.0005","6.9216","0.0003","11.5812","0.0005","90","","90","","90","","867.5","0.07","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B La O5 Te -","- B La O5 Te -","- B8 La8 O40 Te8 -","8","1","","Wang, Jiankang; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","LaTeBO<sub>5</sub>: a new borotellurite with a large birefringence activated by the highly distorted [Te<sup>(iv)</sup>O<sub>4</sub>] group.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12404","12407","10.1039/d1dt01639c","","","0.71073","MoKα","","0.031","0.0279","","","0.0733","0.077","","","","","","0.972","","","","has coordinates","269723","2021-10-06","15:40:26",""
"7707600","13.9212","0.0007","13.2206","0.0007","34.149","0.002","90","","90","","90","","6285","0.6","100","2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H36 N8 O2 S5 U -","- C17 H36 N8 O2 S5 U -","- C136 H288 N64 O16 S40 U8 -","8","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.0527","0.0409","","","0.0734","0.0774","","","","","","1.114","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707639","16.301","0.003","17.737","0.004","20.159","0.004","90","","90","","90","","5829","2","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Au F6 N P Sb -","- C30 H24 Au F6 N P Sb -","- C240 H192 Au8 F48 N8 P8 Sb8 -","8","1","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0446","0.0389","","","0.101","0.1053","","","","","","1.111","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707680","15.4158","0.0003","12.2045","0.0002","18.2376","0.0004","90","","90","","90","","3431.26","0.12","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","VL400","","- C14 H23 Cl2 N4 P Pd -","- C14 H23 Cl2 N4 P Pd -","- C112 H184 Cl16 N32 P8 Pd8 -","8","1","","Scattolin, Thomas; Voloshkin, Vladislav A.; Martynova, Ekaterina; Vanden Broeck, Sofie M. P.; Beliš, Marek; Cazin, Catherine S. J.; Nolan, Steven P.","Synthesis and catalytic activity of palladium complexes bearing <i>N</i>-heterocyclic carbenes (NHCs) and 1,4,7-triaza-9-phosphatricyclo[5.3.2.1]tridecane (CAP) ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9491","9499","10.1039/d1dt01716k","","x-ray","1.54184","CuKα","","0.0237","0.0204","","","0.0499","0.0515","","","","","","1.057","","","","has coordinates","268728","2021-09-06","11:00:24",""
"7707736","8.773","0.0018","8.658","0.0017","28.961","0.006","90","","90","","90","","2199.8","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 I4 N2 S2 Sn -","- C10 H16 I4 N2 S2 Sn -","- C40 H64 I16 N8 S8 Sn4 -","4","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.7","synchrotron","","0.1694","0.1587","","","0.2828","0.291","","","","","","1.208","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707737","8.797","0.0018","8.688","0.0017","29.17","0.006","90","","90","","90","","2229.4","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 I4 N2 S2 Sn -","- C10 H16 I4 N2 S2 Sn -","- C40 H64 I16 N8 S8 Sn4 -","4","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.7","","","0.082","0.0745","","","0.2463","0.2555","","","","","","1.153","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707761","14.5623","0.0013","14.7789","0.0013","14.875","0.0013","90","","90","","90","","3201.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H26 B9 N -","- C9 H26 B9 N -","- C72 H208 B72 N8 -","8","1","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0959","0.0698","","","0.2002","0.2345","","","","","","1.026","","","","has coordinates","268782","2021-09-06","11:18:56",""
"7707824","13.4062","0.0003","13.7584","0.0005","15.3342","0.0005","90","","90","","90","","2828.36","0.15","297.15","","297.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl N4 S Sn -","- C11 H13 Cl N4 S Sn -","- C88 H104 Cl8 N32 S8 Sn8 -","8","1","","Wu, Junmiao; Yang, Tongfu; Wang, Xiaojun; Li, Wenjuan; Pang, Min; Sun, Hongbin; Liang, Hong; Yang, Feng","Development of a multi-target anticancer Sn(ii) pyridine-2-carboxaldehyde thiosemicarbazone complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10909","10921","10.1039/d1dt01272j","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0566","0.0615","","","","","","1.027","","","","has coordinates","268800","2021-09-06","11:25:22",""
"7707847","14.0231","0.0008","22.4946","0.0016","30.2437","0.0018","90","","90","","90","","9540.2","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","AT486 / Compound 2","[2-(Aminomethyl)phenyl-κ2-C,N]iodotriphenylphosphinepalladium","","- C51 H48 Cl2 I2 N2 P2 Pd2 -","- C51 H48 Cl2 I2 N2 P2 Pd2 -","- C408 H384 Cl16 I16 N16 P16 Pd16 -","8","1","","Cormier, Morgan; Tabey, Alexis; Christine, Thifanie; Audrain, Hélène; Fouquet, Eric; Hermange, Philippe","Synthesis and [*C]CO-labelling of (C,N) <i>gem</i>-dimethylbenzylamine-palladium complexes for potential applications in positron emission tomography.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10608","10614","10.1039/d1dt01633d","","","0.71073","MoKα","","0.0691","0.0469","","","0.134","0.1438","","","","","","1.003","","","","has coordinates","268783","2021-09-06","11:19:08",""
"7707904","10.6101","0.0007","16.8895","0.001","38.289","0.003","90","","90","","90","","6861.4","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H48 Li N O2 Si -","- C38 H48 Li N O2 Si -","- C304 H384 Li8 N8 O16 Si8 -","8","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0958","0.0379","","","0.0819","0.0892","","","","","","0.797","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707974","14.4412","0.0006","19.7582","0.0008","24.0737","0.0011","90","","90","","90","","6869","0.5","149.98","0.11","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tBuPONNOPAu2Cl2","","- C25 H42 Au2 Cl4 N2 O2 P2 -","- C25 H42 Au2 Cl4 N2 O2 P2 -","- C200 H336 Au16 Cl32 N16 O16 P16 -","8","1","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","0.71073","MoKα","","0.0619","0.0368","","","0.0632","0.074","","","","","","1.006","","","","has coordinates,has disorder","268807","2021-09-06","11:28:53",""
"7708002","11.2264","0.0002","11.5091","0.0003","35.7717","0.0008","90","","90","","90","","4621.91","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cl Cu N2 O2 -","- C24 H33 Cl Cu N2 O2 -","- C192 H264 Cl8 Cu8 N16 O16 -","8","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","0.71075","MoKα","K-L~3~","0.074","0.0508","","","0.0909","0.0978","","","","","","1.146","","","","has coordinates,has disorder","269735","2021-10-06","15:44:00",""
"7708013","13.7352","0.0009","11.7608","0.0007","19.1917","0.0013","90","","90","","90","","3100.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H27 N3 P2 Pt -","- C9 H27 N3 P2 Pt -","- C72 H216 N24 P16 Pt8 -","8","1","","Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.","SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12681","12691","10.1039/d1dt02626g","","","0.71073","MoKα","","0.0237","0.0219","","","0.0478","0.0485","","","","","","1.2","","","","has coordinates","269717","2021-10-06","15:38:53",""
"7708062","21.1275","0.0009","19.3012","0.0009","28.9253","0.0014","90","","90","","90","","11795.3","0.9","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H60 Ag O Os P3 Si -","- C68 H60 Ag O Os P3 Si -","- C544 H480 Ag8 O8 Os8 P24 Si8 -","8","1","","Zhou, Haiyu; Bai, Tongtong; Pan, Yanlin; Wei, Yongliang; Wang, Tongdao","Facile synthesis of air-stable heterobimetallic osmium-silver hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12093","12097","10.1039/d1dt02619d","","x-ray","0.71073","MoKα","","0.1003","0.0466","","","0.0847","0.0959","","","","","","0.965","","","","has coordinates","269737","2021-10-06","15:44:49",""
"7708069","14.299","0.004","16.58","0.005","17.771","0.005","90","","90","","90","","4213","2","380","","380","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cl4 In N -","- C12 H28 Cl4 In N -","- C96 H224 Cl32 In8 N8 -","8","1","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.2182","0.0611","","","0.1339","0.197","","","","","","0.941","","","","has coordinates,has disorder","268111","2021-08-17","23:04:45",""
"7708072","13.6589","0.001","16.4433","0.0012","17.4222","0.0012","90","","90","","90","","3913","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cl4 In N -","- C12 H28 Cl4 In N -","- C96 H224 Cl32 In8 N8 -","8","1","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.0386","0.0294","","","0.0678","0.0736","","","","","","1.05","","","","has coordinates","268111","2021-08-17","23:04:46",""
"7708074","9.87611","0.00018","8.40553","0.00015","24.6121","0.0004","90","","90","","90","","2043.15","0.06","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 F7 N Sb2 -","- C5 H6 F7 N Sb2 -","- C40 H48 F56 N8 Sb16 -","8","1","","Davydova, Elena I.; Virovets, Alexander Viktorovich; Presypkina, Eugenia V.; Pomogaeva, Anna Vladimirovna; Lisovenko, Anna S.; Timoshkin, Alexey Y.","Unusual molecular complexes of antimony fluoride dimers with Acetonitrile and Pyridine: structures and bonding","Dalton Transactions","2021","","","","","10.1039/D1DT02412D","","","1.54178","CuKα","","0.0323","0.0246","","","0.0542","0.0557","","","","","","0.927","","","","has coordinates","268112","2021-08-17","23:05:47",""
"7708150","17.6627","0.0003","15.3022","0.0003","18.0163","0.0004","90","","90","","90","","4869.41","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H29 P S Si -","- C27 H29 P S Si -","- C216 H232 P8 S8 Si8 -","8","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54178","CuKα","","0.0395","0.0357","","","0.1045","0.1064","","","","","","1.14","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708169","20.481","0.006","13.685","0.004","33.232","0.01","90","","90","","90","","9314","5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H87 I P2 Pt -","- C43 H87 I P2 Pt -","- C344 H696 I8 P16 Pt8 -","8","1","","Zhu, Yun; Ehnbom, Andreas; Fiedler, Tobias; Shu, Yi; Bhuvanesh, Nattamai; Hall, Michael B.; Gladysz, John A.","Platinum(ii) alkyl complexes of chelating dibridgehead diphosphines P((CH2)n)3P (n = 14, 18, 22); facile cis/trans isomerizations interconverting gyroscope and parachute like adducts","Dalton Transactions","2021","","","","","10.1039/D1DT02321G","","","0.71073","MoKα","","0.0493","0.0353","","","0.0837","0.0918","","","","","","1.076","","","","has coordinates,has disorder","268373","2021-09-02","23:04:36",""
"7708256","12.8083","0.0005","15.1963","0.0006","21.7231","0.0009","90","","90","","90","","4228.2","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 O10 Ru -","- C16 H19 N5 O10 Ru -","- C128 H152 N40 O80 Ru8 -","8","1","","Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.","Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02190g","","","0.71073","MoKα","","0.0696","0.0424","","","0.1033","0.1156","","","","","","1.077","","","","has coordinates","269072","2021-09-09","23:04:31",""
"7708262","10.6082","0.0002","15.4709","0.0003","28.6193","0.0005","90","","90","","90","","4696.95","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Mn O3 P2 -","- C23 H35 Mn O3 P2 -","- C184 H280 Mn8 O24 P16 -","8","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.0414","0.0301","","","0.0696","0.0746","","","","","","1.003","","","","has coordinates","269074","2021-09-09","23:07:28",""
"7708266","16.219","0.0015","13.5863","0.0012","21.3867","0.0019","90","","90","","90","","4712.7","0.7","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H35 Br Fe O2 P2 -","- C22 H35 Br Fe O2 P2 -","- C176 H280 Br8 Fe8 O16 P16 -","8","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.0638","0.0318","","","0.0672","0.0787","","","","","","1.019","","","","has coordinates","269074","2021-09-09","23:07:29",""
"7708285","20.0689","0.0008","20.7054","0.0007","22.4095","0.0008","90","","90","","90","","9311.9","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Al F36 O4 Rh -","- C36 H30 Al F36 O4 Rh -","- C288 H240 Al8 F288 O32 Rh8 -","8","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0804","0.0863","","","","","","1.05","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708324","18.933","0.006","11.39","0.004","28.638","0.009","90","","90","","90","","6176","4","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Li, Gao-Peng; Zhu, Huihui; Hao, Pengfei; Shen, Junju; Fu, Yunlong","The modulation effect of carboxylic acid ligands on the electron transfer photochromism of naphthalene diimide-derived coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT02358F","","","0.71073","MoKα","","0.0528","0.0324","","","0.0728","0.082","","","","","","1.02","","","","has coordinates","269196","2021-09-17","23:06:34",""
"7708343","11.4007","0.0002","11.8465","0.0001","23.9749","0.0003","90","","90","","90","","3238.01","0.07","293","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H18 F6 O3 P2 S Sn -","- C7 H18 F6 O3 P2 S Sn -","- C56 H144 F48 O24 P16 S8 Sn8 -","8","1","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.0305","0.0236","","","0.0518","0.0546","","","","","","1.014","","","","has coordinates","269201","2021-09-17","23:13:00",""
"7708351","19.3913","0.0004","16.0799","0.0004","24.4772","0.0006","90","","90","","90","","7632.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H65 Co Mg N2 -","- C45 H65 Co Mg N2 -","- C360 H520 Co8 Mg8 N16 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0583","0.0434","","","0.1009","0.109","","","","","","1.026","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708356","11.6971","0.0001","13.9203","0.0001","33.1444","0.0002","90","","90","","90","","5396.81","0.07","123","0.1","123","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 Co Ni P2 -","- C28 H45 Co Ni P2 -","- C224 H360 Co8 Ni8 P16 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.026","0.0246","","","0.0663","0.0669","","","","","","1.068","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708360","8.465","0.0005","8.7788","0.0007","21.9237","0.0014","90","","90","","90","","1629.21","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Al B H2 O10 Se3 -","- Al B H2 O10 Se3 -","- Al8 B8 H16 O80 Se24 -","8","1","","Cao, Ming-Yang; Hu, Chun-Li; Kong, Fang; Xiong, Zheyao; Mao, Jiang-Gao","M(B(SeO3)3)H2O(M = Al, Ga):The first boroselenites with a unique sandwich like double-layer structure","Dalton Transactions","2021","","","","","10.1039/D1DT02890A","","","0.71073","MoKα","","0.0334","0.0275","","","0.0545","0.0563","","","","","","1.122","","","","has coordinates","269224","2021-09-20","23:01:22",""
"7708361","8.5773","0.0005","8.8445","0.0005","22.0195","0.0013","90","","90","","90","","1670.44","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Ga H2 O10 Se3 -","- B Ga H2 O10 Se3 -","- B8 Ga8 H16 O80 Se24 -","8","1","","Cao, Ming-Yang; Hu, Chun-Li; Kong, Fang; Xiong, Zheyao; Mao, Jiang-Gao","M(B(SeO3)3)H2O(M = Al, Ga):The first boroselenites with a unique sandwich like double-layer structure","Dalton Transactions","2021","","","","","10.1039/D1DT02890A","","","0.71073","MoKα","","0.0272","0.023","","","0.0545","0.0565","","","","","","1.074","","","","has coordinates","269224","2021-09-20","23:01:23",""
"7708405","13.2657","0.0008","19.8289","0.0011","40.652","0.002","90","","90","","90","","10693.3","1","150","","150","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C34 H86 O4 Si6 Sn2 Yb -","- C34 H86 O4 Si6 Sn2 Yb -","- C272 H688 O32 Si48 Sn16 Yb8 -","8","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Cordier, Marie; Kahlal, Samia; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Bonding analysis in ytterbium(ii) distannyl and related tetryls","Dalton Transactions","2021","","","","","10.1039/D1DT02355A","","x-ray","0.71073","MoKα","","0.0577","0.0378","","","0.0739","0.0801","","","","","","1.151","","","","has coordinates,has disorder","269278","2021-09-23","23:14:05",""
"7708408","18.53744","0.00019","17.36252","0.00016","30.7787","0.0004","90","","90","","90","","9906.33","0.19","99.95","0.1","99.95","0.1","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C41 H66 B Cl2 Cu2 F4 N6 O3 S3 -","- C41 H66 B Cl2 Cu2 F4 N6 O3 S3 -","- C328 H528 B8 Cl16 Cu16 F32 N48 O24 S24 -","8","1","","Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter","An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States","Dalton Transactions","2021","","","","","10.1039/D1DT02075G","","x-ray","1.54184","CuKα","","0.0432","0.0352","","","0.0921","0.099","","","","","","1.023","","","","has coordinates,has disorder","269299","2021-09-24","23:05:10",""
"7708425","17.162","0.0009","20.7881","0.001","21.7424","0.0011","90","","90","","90","","7756.9","0.7","125","2","125","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H43 F6 Fe N5 P Pd Sb -","- C36 H43 F6 Fe N5 P Pd Sb -","- C288 H344 F48 Fe8 N40 P8 Pd8 Sb8 -","8","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0232","0.0207","","","0.0482","0.0497","","","","","","1.077","","","","has coordinates,has disorder","269300","2021-09-24","23:08:41",""
"7708477","9.0324","0.0004","16.1088","0.0008","21.3757","0.0011","90","","90","","90","","3110.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Br2 P2 -","- C30 H46 Br2 P2 -","- C120 H184 Br8 P8 -","4","0.5","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.0453","0.0293","","","0.0697","0.0757","","","","","","1.02","","","","has coordinates","269386","2021-09-29","23:16:01",""
"7708498","10.5546","0.0009","8.3898","0.0007","23.5993","0.0019","90","","90","","90","","2089.7","0.3","110","","110","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H18 O5 -","- C10 H18 O5 -","- C80 H144 O40 -","8","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","1.54178","CuKα","","0.0403","0.038","","","0.1007","0.1042","","","","","","1.083","","","","has coordinates","269444","2021-10-01","23:03:05",""
"7708501","21.0842","0.0016","11.7871","0.0009","21.7655","0.0017","90","","90","","90","","5409.2","0.7","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 O5 P -","- C31 H37 O5 P -","- C248 H296 O40 P8 -","8","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","0.71073","MoKα","","0.0456","0.0341","","","0.0862","0.0945","","","","","","1.063","","","","has coordinates,has disorder","269444","2021-10-01","23:03:06",""
"7708532","19.9283","0.0007","18.5408","0.0007","30.9067","0.0012","90","","90","","90","","11419.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H16 N20 O12 Re4 -","- C36 H16 N20 O12 Re4 -","- C288 H128 N160 O96 Re32 -","8","1","","Karges, Johannes; Seo, Hyeonglim; Cohen, Seth M.","Synthesis of Tetranuclear Rhenium(I) Tricarbonyl Metallacycles","Dalton Transactions","2021","","","","","10.1039/D1DT02435C","","x-ray","0.71073","MoKα","K-L~3~","0.113","0.0825","","","0.1768","0.1904","","","","","","1.109","","","","has coordinates","269858","2021-10-07","22:56:29",""
"7708545","10.9645","0.0007","18.8237","0.0011","25.0238","0.0015","90","","90","","90","","5164.7","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl4 N4 O3 Re -","- C21 H19 Cl4 N4 O3 Re -","- C168 H152 Cl32 N32 O24 Re8 -","8","1","","Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne","Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02161c","","","0.71073","MoKα","","0.0456","0.0284","","","0.0513","0.0561","","","","","","1.09","","","","has coordinates","269903","2021-10-12","22:55:23",""
"7708614","16.4325","0.0002","21.3202","0.0004","25.9216","0.0005","90","","90","","90","","9081.5","0.3","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 B Cu N4 O3 -","- C46 H66 B Cu N4 O3 -","- C368 H528 B8 Cu8 N32 O24 -","8","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","0.71073","MoKα","","0.0996","0.0512","","","0.1032","0.1241","","","","","","1.052","","","","has coordinates,has disorder","270120","2021-10-28","23:37:46",""
"7708660","18.9149","0.0005","17.4523","0.0005","26.6732","0.0007","90","","90","","90","","8805.1","0.4","150","0.1","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H46 Ag2 Cl2 I2 N6 P2 -","- C36 H46 Ag2 Cl2 I2 N6 P2 -","- C288 H368 Ag16 Cl16 I16 N48 P16 -","8","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.054","0.0363","","","0.0834","0.093","","","","","","1.035","","","","has coordinates","270180","2021-10-30","22:55:20",""
"7708661","19.0847","0.0003","16.9234","0.0002","26.5829","0.0004","90","","90","","90","","8585.7","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35.33 H44.67 Cl2.86 Cu2 I1.81 N6 P2 -","- C35.334 H44.668 Cl2.856 Cu2 I1.812 N6 P2 -","- C282.672 H357.344 Cl22.848 Cu16 I14.496 N48 P16 -","8","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.0732","0.0474","","","0.1059","0.1167","","","","","","1.063","","","","has coordinates,has disorder","270180","2021-10-30","22:55:20",""
"7708679","16.2215","0.0006","16.2215","0.0006","24.4132","0.0011","90","","90","","90","","6424","0.4","173","0.5","173","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H47 Fe N2 P3 Si -","- C30 H47 Fe N2 P3 Si -","- C240 H376 Fe8 N16 P24 Si8 -","8","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54184","CuKα","","0.0775","0.067","","","0.1705","0.1829","","","","","","1.087","","","","has coordinates,has disorder","270219","2021-11-03","00:00:10",""
"7708738","21.4367","0.0016","23.8076","0.0017","26.7171","0.0017","90","","90","","90","","13635.2","1.7","296","2","296.11","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H54 Cu2 N6 O47 W12 Zn -","- C28 H54 Cu2 N6 O47 W12 Zn -","- C224 H432 Cu16 N48 O376 W96 Zn8 -","8","1","","Guo, Keke; Yang, Yanli; Dong, Si-Meng; Li, Fengyan; Jiang, Xin-Ye; Xu, Lin","pH-controlled assembly of [ZnW12O40]6–based hybrids from 0D dimer to 2D network: synthesis, crystal structure, and photocatalytic performance in transformation of toluene into benzaldehyde","Dalton Transactions","2021","","","","","10.1039/D1DT02618F","","","1.54184","CuKα","","0.0965","0.0703","","","0.1704","0.1958","","","","","","1.039","","","","has coordinates","270334","2021-11-05","23:58:40",""
"7708740","9.4799","0.0018","14.679","0.003","18.484","0.004","90","","90","","90","","2572.1","0.9","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H2 N10 O9 -","- C6 H2 N10 O9 -","- C48 H16 N80 O72 -","8","1","","Yang, Pengju; Yang, Hongwei; Zhao, Ying; Tang, Jie; Cheng, Guangbin","Novel polynitro azoxypyrazole-based energetic materials with high performance","Dalton Transactions","2021","","","","","10.1039/D1DT03357C","","","0.71073","MoKα","","0.1853","0.1022","","","0.2233","0.2773","","","","","","1.031","","","","has coordinates","270335","2021-11-05","23:59:29",""
"7708814","17.0907","0.001","15.7948","0.0009","32.7765","0.0018","90","","90","","90","","8847.8","0.9","173","","173","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H48 F11 Fe2 N2 P2 S2 Si -","- C29 H49 F11 Fe2 N2 P2 S2 Si -","- C232 H392 F88 Fe16 N16 P16 S16 Si8 -","8","1","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.1156","0.0684","","","0.1579","0.183","","","","","","1.024","","","","has coordinates,has disorder","270628","2021-11-12","23:56:03",""
"7708862","11.3324","0.0001","11.7241","0.0001","23.5687","0.0003","90","","90","","90","","3131.39","0.06","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H18 F6 Ge O3 P2 S -","- C7 H18 F6 Ge O3 P2 S -","- C56 H144 F48 Ge8 O24 P16 S8 -","8","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0265","0.0207","","","0.0486","0.0502","","","","","","1.06","","","","has coordinates","270707","2021-11-17","00:15:46",""
"7708905","15.0253","0.0019","15.749","0.0019","16.4568","0.0017","90","","90","","90","","3894.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 I N2 Si Zn -","- C14 H27 I N2 Si Zn -","- C112 H216 I8 N16 Si8 Zn8 -","8","1","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-State Control of Cobalt(II) and Iron(II) Complexes with Click-Derived Tripodal Ligands Through Non-Covalent and Fluorine-Specific Interactions","Dalton Transactions","2021","","","","","10.1039/D1DT03535E","","","0.71073","MoKα","","0.0795","0.0436","","","0.0892","0.1078","","","","","","1.084","","","","has coordinates","270819","2021-11-23","00:02:39",""
"7708907","18.9685","0.0003","17.2945","0.0003","20.8481","0.0005","90","","90","","90","","6839.2","0.2","150","0.1","150","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C54 H100 Cl6 Gd2 Li2 N2 O6 Si2 -","- C54 H100 Cl6 Gd2 Li2 N2 O6 Si2 -","- C216 H400 Cl24 Gd8 Li8 N8 O24 Si8 -","4","0.5","","Rasamsetty, Amaleswari; Mehta, Sakshi; Ansari, Kamal Uddin; Kumar, Pardeep; Mondal, Abhishake; Shanmugam, Maheswaran","Six-coordinated dinuclear lanthanide(III) amide complexes: investigation of magnetization relaxation dynamics and their electronic structures.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","63","68","10.1039/d1dt03708k","","x-ray","0.71073","MoKα","","0.0763","0.0508","","","0.0906","0.1002","","","","","","1.178","","","","has coordinates","272649","2022-02-04","19:31:25",""
"7708908","18.8863","0.0014","17.2224","0.0017","20.8711","0.0019","90","","90","","90","","6788.7","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C54 H100 Cl6 Li2 N2 O6 Si2 Y2 -","- C54 H100 Cl6 Li2 N2 O6 Si2 Y2 -","- C216 H400 Cl24 Li8 N8 O24 Si8 Y8 -","4","0.5","","Rasamsetty, Amaleswari; Mehta, Sakshi; Ansari, Kamal Uddin; Kumar, Pardeep; Mondal, Abhishake; Shanmugam, Maheswaran","Six-coordinated dinuclear lanthanide(III) amide complexes: investigation of magnetization relaxation dynamics and their electronic structures.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","63","68","10.1039/d1dt03708k","","x-ray","0.71073","MoKα","","0.2168","0.0869","","","0.1998","0.2897","","","","","","1.005","","","","has coordinates","272649","2022-02-04","19:31:26",""
"7708909","18.8807","0.0002","17.2088","0.0002","20.8678","0.0003","90","","90","","90","","6780.24","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C54 H100 Cl6 Dy2 Li2 N2 O6 Si2 -","- C54 H100 Cl6 Dy2 Li2 N2 O6 Si2 -","- C216 H400 Cl24 Dy8 Li8 N8 O24 Si8 -","4","0.5","","Rasamsetty, Amaleswari; Mehta, Sakshi; Ansari, Kamal Uddin; Kumar, Pardeep; Mondal, Abhishake; Shanmugam, Maheswaran","Six-coordinated dinuclear lanthanide(III) amide complexes: investigation of magnetization relaxation dynamics and their electronic structures.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","63","68","10.1039/d1dt03708k","","x-ray","0.71073","MoKα","","0.0503","0.0453","","","0.0906","0.093","","","","","","1.296","","","","has coordinates,has disorder","272649","2022-02-04","19:31:26",""
"7708922","18.1724","0.0019","11.1064","0.0011","28.431","0.003","90","","90","","90","","5738.2","1","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H29 F O P Sb -","- C36 H29 F O P Sb -","- C288 H232 F8 O8 P8 Sb8 -","8","1","","Gonzalez, Vanessa M.; Park, Gyeongjin; Yang, Mengxi; Gabbaï, François P.","Fluoride anion complexation and transport using a stibonium cation stabilized by an intramolecular PO → Sb pnictogen bond","Dalton Transactions","2021","","","","","10.1039/D1DT03370K","","","1.54178","CuKα","","0.0743","0.0533","","","0.115","0.1322","","","","","","1.082","","","","has coordinates","270870","2021-11-25","00:04:42",""
"7708957","15.3579","0.0001","14.2995","0.0001","20.5069","0.0002","90","","90","","90","","4503.53","0.06","100","2","99.98","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N10 O2 W -","- C20 H20 N10 O2 W -","- C160 H160 N80 O16 W8 -","8","1","","Jurowska, Anna; Hodorowicz, Maciej; Kruczała, Krzysztof; Szklarzewicz, Janusz","Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+","Dalton Transactions","2021","","","","","10.1039/D1DT03224K","","x-ray","0.71073","MoKα","","0.0242","0.0187","","","0.0394","0.0406","","","","","","1.028","","","","has coordinates","270922","2021-11-30","00:03:49",""
"7708986","9.0107","0.0006","16.9043","0.0011","29.042","0.002","90","","90","","90","","4423.7","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Br2 N4 Pd -","- C18 H26 Br2 N4 Pd -","- C144 H208 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0957","0.0775","","","0.2051","0.2204","","","","","","1.088","","","","has coordinates","270968","2021-12-02","00:04:10",""
"7709072","17.2181","0.0008","24.2357","0.0012","29.5233","0.0016","90","","90","","90","","12319.9","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H74 N9 O10 Ru2 -","- C66 H74 N9 O10 Ru2 -","- C528 H592 N72 O80 Ru16 -","8","1","","Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong","Diruthenium aryl compounds – tuning of electrochemical responses and solubility","Dalton Transactions","2022","","","","","10.1039/D1DT03957A","","","1.54178","CuKα","","0.0343","0.0316","","","0.0748","0.0765","","","","","","1.022","","","","has coordinates","271418","2021-12-14","23:53:52",""
"7709175","15.901","0.0006","14.1221","0.0005","17.6833","0.0009","90","","90","","90","","3970.9","0.3","174","2","174","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H25.6 Cl2 N6 O8 Zr -","- C11 H25.6 Cl2 N6 O8 Zr -","- C88 H204.8 Cl16 N48 O64 Zr8 -","8","1","","Passadis, Stamatis S.; Hadjithoma, Sofia; Papanikolaou, Michael G.; Keramidas, Anastasios D.; Miras, Haralampos N.; Kabanos, Themistoklis A.","Acid/base responsive assembly/dis-assembly of a family of zirconium(IV) clusters with a cyclic imide-dioxime ligand.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1806","1818","10.1039/d1dt03641f","","","0.71073","MoKα","","0.0538","0.0345","","","0.0733","0.0801","","","","","","1.041","","","","has coordinates,has disorder","272675","2022-02-04","19:40:51",""
"7709181","18.4348","0.0008","16.878","0.0008","41.2991","0.0018","90","","90","","90","","12849.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H99 Cl Ga2 N5 P -","- C68 H99 Cl Ga2 N5 P -","- C544 H792 Cl8 Ga16 N40 P8 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan","Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1612","1616","10.1039/d1dt04299h","","","1.54178","CuKα","","0.0311","0.0305","","","0.0804","0.0808","","","","","","1.061","","","","has coordinates","272693","2022-02-04","19:46:56",""
"7709247","8.394","0.007","9.376","0.008","25.31","0.02","90","","90","","90","","1992","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mo O9 P2 -","- Cs2 Mo O9 P2 -","- Cs16 Mo8 O72 P16 -","8","1","","Abudoureheman, Maierhaba; Zheng, Juanjuan; Wang, Peng; Wei, Bo; Guo, Zhiyong; Chen, Zhaohui; Chen, Yanna","A<sub>6</sub>Mo<sub>2</sub>P<sub>4</sub>O<sub>19</sub> (A = Rb, Cs) and Rb<sub>2</sub>MoP<sub>2</sub>O<sub>9</sub>: new molybdophosphates with distinct polyanionic configurations.","Dalton transactions (Cambridge, England : 2003)","2022","51","4","1481","1488","10.1039/d1dt03756k","","","0.71073","MoKα","","0.056","0.0363","","","0.0694","0.0759","","","","","","1.022","","","","has coordinates","272685","2022-02-04","19:44:27",""
"7709318","12.0127","0.0001","14.4319","0.0002","32.144","0.0005","90","","90","","90","","5572.68","0.13","150","0.3","150","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tBu-PBP-Pt-SH","","- C24 H45 B N2 P2 Pt S -","- C24 H45 B N2 P2 Pt S -","- C192 H360 B8 N16 P16 Pt8 S8 -","8","1","","Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds","Dalton Transactions","2022","","","","","10.1039/D1DT04179G","","x-ray","1.54184","CuKα","","0.0597","0.0416","","","0.108","0.1174","","","","","","1.088","","","","has coordinates","272117","2022-01-18","23:56:18",""
"7709378","14.978","0.0008","15.4832","0.0007","16.1862","0.0008","90","","90","","90","","3753.7","0.3","199.99","","199.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13.33 H16 Cl0.67 Cu0.67 N2 -","- C13.3333 H16 Cl0.666667 Cu0.666667 N2 -","- C160 H192 Cl8 Cu8 N24 -","12","1.5","","Chand, Kuldeep; Chu, Yu-Cheng; Wang, Tzai-Wei; Kao, Chai-Lin; Lin, Ya-Fan; Tsai, Ming-Li; Hsu, Sodio C.N.","Nitric oxide generation study of unsymmetrical β-diketiminato copper(II) nitrite complexes","Dalton Transactions","2022","","","","","10.1039/D1DT03711K","","","0.71073","MoKα","","0.0346","0.0274","","","0.0708","0.0793","","","","","","1.104","","","","has coordinates","272326","2022-01-28","23:50:46",""
"7709431","11.07582","0.00015","18.5823","0.0002","28.4054","0.0005","90","","90","","90","","5846.23","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H40 Au N3 S -","- C35 H40 Au N3 S -","- C280 H320 Au8 N24 S8 -","8","1","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0499","0.0384","","","0.098","0.1069","","","","","","1.014","","","","has coordinates","272800","2022-02-04","23:52:28",""
"7709442","19.6419","0.0018","19.642","0.01","33.131","0.017","90","","90","","90","","12782","9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5.45 H13.09 In1.82 N1.09 Se3.27 -","- In1.81818 Se3.27273 -","- In80 Se144 -","44","5.5","","Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang","New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.","Dalton transactions (Cambridge, England : 2003)","2022","51","8","3248","3253","10.1039/d2dt00174h","","","0.71073","MoKα","","0.1421","0.0697","","","0.188","0.2265","","","","","","0.987","","","","has coordinates","273364","2022-03-04","22:12:30",""
"7709446","18.597","0.013","13.184","0.009","19.167","0.013","90","","90","","90","","4699","6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H34 Cl Fe N7 O4 -","- C16 H34 Cl Fe N7 O4 -","- C128 H272 Cl8 Fe8 N56 O32 -","8","1","","Golovanov, Ivan; Leonov, Anton; Lesnikov, Vladislav; Pospelov, Evgeny; Frolov, Kirill V.; Korlyukov, Alexander; Nelyubina, Yulia V.; Novikov, Valentin V.; Sukhorukov, Alexey Yurievich","Iron(IV) Complexes with Tetraazaadamantane-based Ligands: Synthesis, Structure, Application in Dioxygen Activation and Labeling of Biomolecules","Dalton Transactions","2022","","","","","10.1039/D1DT04104E","","","0.71073","MoKα","","0.1855","0.0678","","","0.1217","0.1653","","","","","","0.915","","","","has coordinates","272862","2022-02-08","23:55:37",""
"7709500","19.3439","0.0003","12.9998","0.0002","21.4322","0.0004","90","","90","","90","","5389.49","0.15","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl2 N2 Se -","- C27 H38 Cl2 N2 Se -","- C216 H304 Cl16 N16 Se8 -","8","1","","Saab, Marina; Nelson, David J.; Leech, Matthew C.; Lam, Kevin; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Reactions of N-heterocyclic carbene-based chalcogenoureas with halogens: a diverse range of outcomes","Dalton Transactions","2022","","","","","10.1039/D2DT00010E","","x-ray","1.54184","CuKα","","0.055","0.0443","","","0.1065","0.1158","","","","","","1.04","","","","has coordinates","272982","2022-02-15","23:59:44",""
"7709521","10.4126","0.0002","21.5074","0.0005","39.7104","0.0008","90","","90","","90","","8893.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H58 N3 Na O3 Se -","- C48 H58 N3 Na O3 Se -","- C384 H464 N24 Na8 O24 Se8 -","8","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0621","0.045","","","0.1023","0.1109","","","","","","1.039","","","","has coordinates","272984","2022-02-16","00:04:48",""
"7709529","17.8026","0.0003","20.9308","0.0003","28.5781","0.0004","90","","90","","90","","10648.8","0.3","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H85 Ag Al N3 Si2 -","- C53 H85 Ag Al N3 Si2 -","- C424 H680 Ag8 Al8 N24 Si16 -","8","1","","Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise","On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds","Dalton Transactions","2022","","","","","10.1039/D2DT00404F","","x-ray","1.54184","CuKα","","0.045","0.0374","","","0.0946","0.1008","","","","","","1.023","","","","has coordinates","272985","2022-02-16","00:07:22",""
"7709576","10.1787","0.0002","16.4316","0.0004","31.9451","0.0007","90","","90","","90","","5342.9","0.2","180","0.1","180","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H43 Li N2 O Si3 -","- C21 H43 Li N2 O Si3 -","- C168 H344 Li8 N16 O8 Si24 -","8","1","","Yin, Zhu-Bao; Wei, Junnian; Xi, Zhenfeng","Trisyl-based multidentate ligands: synthesis and their transition-metal complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00049K","","x-ray","0.71073","MoKα","","0.0558","0.0425","","","0.1116","0.1191","","","","","","1.023","","","","has coordinates","273037","2022-02-18","23:59:36",""
"7709592","17.3309","0.0005","20.9805","0.0006","23.0522","0.0007","90","","90","","90","","8382","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H54 Fe N4 O -","- C41 H54 Fe N4 O -","- C328 H432 Fe8 N32 O8 -","8","1","","Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie","Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization","Dalton Transactions","2022","","","","","10.1039/D2DT00199C","","","1.54178","CuKα","","0.077","0.0526","","","0.1123","0.1272","","","","","","1.028","","","","has coordinates","273120","2022-02-22","23:59:40",""
"7709596","13.526","0.0004","11.4979","0.0003","29.9592","0.0009","90","","90","","90","","4659.3","0.2","302","","302","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga8 Na4 S14 -","- Ga8 Na4 S14 -","- Ga64 Na32 S112 -","8","1","","Luo, Ling; Wang, Linan; Bai, Chen; Zhou, Jiazheng; Wei, Lai; Su, Xin","Na4Ga8S14: A Ga-riched wide band gap ternary alkali-metal sulfide with unique [Ga12S42] 12-menbered rings","Dalton Transactions","2022","","","","","10.1039/D2DT00295G","","","0.71073","MoKα","","0.0404","0.0297","","","0.0522","0.0556","","","","","","1.073","","","","has coordinates","273133","2022-02-23","23:50:52",""
"7709708","10.1997","0.0008","15.3185","0.0011","22.49","0.002","90","","90","","90","","3513.9","0.5","105","7","105.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 B F2 N3 O -","- C21 H16 B F2 N3 O -","- C168 H128 B8 F16 N24 O8 -","8","1","","Panchavarnam, Sabari; Sengupta, Rima; Ravikanth, Mangalampalli","Synthesis, Structure, and Properties of Palladium(II) Complex of α-Formyl Pyrrolyl Dipyrromethene","Dalton Transactions","2022","","","","","10.1039/D2DT00166G","","","0.71073","MoKα","","0.0986","0.056","","","0.121","0.1457","","","","","","1.04","","","","has coordinates","273575","2022-03-09","23:56:46",""
"7709747","17.7212","0.0002","16.1974","0.0002","24.1947","0.0003","90","","90","","90","","6944.78","0.14","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H36 Cl2 F6 N4 O2 P Ru -","- C34 H36 Cl2 F6 N4 O2 P Ru -","- C272 H288 Cl16 F48 N32 O16 P8 Ru8 -","8","1","","Pan, Yunling; Cheng, Lin; Yi, PAN; Man, Wai-Lun; Yiu, Shek-Man; Xie, Jianhui; LAU, Kai Chung; Lau, Tai-Chu","Facile C-N Bond Cleavage of Primary Aliphatic Amines by (Salen)ruthenium(VI) Nitrido Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00600F","","","1.54178","CuKα","","0.0432","0.0349","","","0.0864","0.0926","","","","","","1.026","","","","has coordinates","273686","2022-03-14","23:54:46",""
"7709752","12.0032","0.0007","9.1694","0.0004","19.1587","0.0012","90","","90","","90","","2108.6","0.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N8 O2 Pt S4 -","- C12 H18 N8 O2 Pt S4 -","- C48 H72 N32 O8 Pt4 S16 -","4","0.5","","Jiang, Ming; Yang, Tongfu; Chu, Yong; Zhang, Zhenlei; Sun, Hongbin; Liang, Hong; Yang, Feng","Design of a novel Pt(ii) complex to reverse cisplatin-induced resistance in lung cancer via a multi-mechanism","Dalton Transactions","2022","","","","","10.1039/D1DT03964D","","x-ray","0.71073","MoKα","","0.0799","0.0464","","","0.0877","0.0965","","","","","","1.171","","","","has coordinates","273687","2022-03-14","23:56:32",""
"7709782","18.4902","0.0002","14.7585","0.0002","21.6101","0.0002","90","","90","","90","","5897.13","0.12","273","","273","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H25 Cl Co F6 N5 P -","- C30 H25 Cl Co F6 N5 P -","- C240 H200 Cl8 Co8 F48 N40 P8 -","8","1","","Karumban, Kalai Selvan; Muley, Arabinda; Raut, Rajnikant; Gupta, Parth; Giri, Bishnubasu; Kumbhakar, Sadananda; Misra, Ashish; Maji, Somnath","Mononuclear Co(II) polypyridyl complexes: synthesis, molecular structure, DNA binding/cleavage, radical scavenging, docking studies and anticancer activities","Dalton Transactions","2022","","","","","10.1039/D1DT04144D","","x-ray","1.54184","CuKα","","0.0538","0.0364","","","0.0816","0.091","","","","","","1.029","","","","has coordinates","273821","2022-03-18","23:55:49",""
"7709856","16.9493","0.0008","18.3544","0.0008","47.091","0.002","90","","90","","90","","14649.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H49 F6 P3 Pt -","- C36 H49 F6 P3 Pt -","- C576 H784 F96 P48 Pt16 -","16","2","","Alcaide, María M.; Sánchez, Práxedes; Álvarez, Eleuterio; Maya, Celia; López-Serrano, Joaquín; Peloso, Riccardo","Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii)","Dalton Transactions","2022","","","","","10.1039/D2DT00811D","","","0.71073","MoKα","","0.0691","0.0435","","","0.0977","0.11","","","","","","1.007","","","","has coordinates","274142","2022-03-30","23:07:05",""
"7709900","18.0177","0.0003","19.4122","0.0002","37.8914","0.0007","90","","90","","90","","13253","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H63 Cl4 N3 Pt -","- C75 H63 Cl4 N3 Pt -","- C600 H504 Cl32 N24 Pt8 -","8","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0886","0.0539","","","0.1243","0.1382","","","","","","1.072","","","","has coordinates,has disorder","274183","2022-03-31","22:57:54",""
"7709902","20.1717","0.0003","14.7355","0.0002","21.1479","0.0003","90","","90","","90","","6286","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","BM396","","- C31 H44 Cl2 N2 Pt S -","- C31 H44 Cl2 N2 Pt S -","- C248 H352 Cl16 N16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.046","0.0287","","","0.0424","0.0472","","","","","","1.054","","","","has coordinates","274183","2022-03-31","22:57:55",""
"7709903","18.8483","0.0003","19.1553","0.0003","37.0561","0.0005","90","","90","","90","","13378.9","0.3","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C81 H86 Cl2 N2 O2 Pt S -","- C71 H62 Cl2 N2 O2 Pt S -","- C568 H496 Cl16 N16 O16 Pt8 S8 -","8","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0783","0.0503","","","0.0973","0.1093","","","","","","1.024","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709913","22.2645","0.001","21.7564","0.001","22.6575","0.001","90","","90","","90","","10975.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H90 O13 Si3 Ti -","- C40 H90 O13 Si3 Ti -","- C320 H720 O104 Si24 Ti8 -","8","1","","Pérez-Pérez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Moya-Cabrera, Mónica; Jancik, Vojtech","Hetero-bimetallic alkali titanosilicates [MOTi{OSi(OtBu)3}3]2 (M = Li–Cs) with terminal Ti–O− groups","Dalton Transactions","2022","","","","","10.1039/D2DT00939K","","","0.71073","MoKα","","0.0351","0.028","","","0.0726","0.0779","","","","","","1.032","","","","has coordinates,has disorder","274215","2022-04-01","22:51:49",""
"7709972","14.859","0.003","10.6391","0.0018","29.85","0.005","90","","90","","90","","4718.9","1.5","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N4 Ni O4 -","- C28 H20 N4 Ni O4 -","- C224 H160 N32 Ni8 O32 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.1207","0.0499","","","0.0809","0.097","","","","","","1.019","","","","has coordinates","274459","2022-04-11","23:11:39",""
"7709985","15.3688","0.0004","16.0251","0.0003","22.4547","0.0006","90","","90","","90","","5530.3","0.2","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 I2 N4 Ni O2 -","- C28 H16 Cl2 I2 N4 Ni O2 -","- C224 H128 Cl16 I16 N32 Ni8 O16 -","8","1","","Wang, Zhen-Feng; Wei, Qiao-Chang; Li, Jin-Xian; Zhou, Zhen; Zhang, Shuhua","A new class of nickel(II) oxyquinoline-bipyridine complexes as potent anticancer agents induces apoptosis and autophagy in A549/DDP tumor cells through mitophagy pathways","Dalton Transactions","2022","","","","","10.1039/D2DT00669C","","","0.71073","MoKα","","0.0597","0.0519","","","0.1388","0.1458","","","","","","1.059","","","","has coordinates","274459","2022-04-11","23:11:41",""
"7710073","10.4775","0.0002","18.2342","0.0005","34.1669","0.0007","90","","90","","90","","6527.5","0.3","173","2","173.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H31 Cl2 N3 O P Re -","- C37 H31 Cl2 N3 O P Re -","- C296 H248 Cl16 N24 O8 P8 Re8 -","8","1","","Estrada, Alexander Louis; Wititsuwannakul, Taveechai; Kromm, Klemenz; Hampel, Frank; Hall, Michael B.; Gladysz, John","Syntheses, Rearrangements, and Structural Analyses of Unsaturated Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+","Dalton Transactions","2022","","","","","10.1039/D2DT00890D","","","0.71073","MoKα","","0.0999","0.0416","","","0.0671","0.0793","","","","","","0.973","","","","has coordinates","274589","2022-04-19","23:12:51",""
"7710094","13.8766","0.0019","13.4769","0.0018","14.6208","0.0019","90","","90","","90","","2734.3","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 As N4 S3 V -","- C6 H18 As N4 S3 V -","- C48 H144 As8 N32 S24 V8 -","8","1","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.0557","0.0356","","","0.0959","0.1075","","","","","","1.016","","","","has coordinates,has disorder","274612","2022-04-20","22:59:32",""
"7710095","13.631","0.011","13.926","0.013","15.083","0.014","90","","90","","90","","2863","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 As N4 Se3 V -","- C6 H18 As N4 Se3 V -","- C48 H144 As8 N32 Se24 V8 -","8","1","","Duan, Shuping; Xu, Ya; Zhou, Jian; Xiao, Zunhong; Zou, Hua-Hong","Rare examples of hybrid chalcogenoarsenate(III) incorporating trivalent vanadium complexes.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt00251e","","","0.71073","MoKα","","0.0989","0.0602","","","0.1322","0.1631","","","","","","1.053","","","","has coordinates,has disorder","274612","2022-04-20","22:59:32",""
"7710159","20.2225","0.0004","18.7068","0.0004","20.302","0.0004","90","","90","","90","","7680.2","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H51 N2 P -","- C46 H51 N2 P -","- C368 H408 N16 P8 -","8","1","","Merschel, Arne; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Georg; Ghadwal, Rajendra S.","Crystalline phosphino-functionalized mesoionic olefins (p-MIOs)","Dalton Transactions","2022","","","","","10.1039/D2DT01314B","","x-ray","0.71073","MoKα","","0.0753","0.0492","","","0.1133","0.1262","","","","","","1.023","","","","has coordinates","274817","2022-05-02","23:20:51",""
"7710214","24.277","0.007","22.228","0.006","41.74","0.03","90","","90","","90","","22524","18","192","","192","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C96 H98 F24 N6 O8 P4 Rh4 -","- C96 H98 F24 N6 O8 P4 Rh4 -","- C768 H784 F192 N48 O64 P32 Rh32 -","8","1","","Bai, Sha; Wang, Li-Feng; Wu, Zhen-Wei; Feng, Ting; Han, Ying-Feng","Supramolecular-controlled regioselective photochemical [4+4] cycloaddition within Cp*Rh-based metallarectangles","Dalton Transactions","2022","","","","","10.1039/D2DT01094A","","","0.71073","MoKα","","0.103","0.0596","","","0.1558","0.1834","","","","","","1.014","","","","has coordinates","275308","2022-05-10","22:48:21",""
"7710290","9.7307","0.0019","18.031","0.004","31.013","0.006","90","","90","","90","","5441.4","1.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H27 B F4 O2 Ru2 -","- C31 H27 B F4 O2 Ru2 -","- C248 H216 B8 F32 O16 Ru16 -","8","1","","Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio","η6-Coordinated ruthenabenzenes from three-component assembly on a diruthenium μ-allenyl scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT01071B","","","0.71073","MoKα","","0.164","0.1521","","","0.3418","0.3502","","","","","","1.165","","","","has coordinates","275563","2022-05-19","22:51:20",""
"7710354","14.919","0.002","17.057","0.002","19.439","0.002","90","","90","","90","","4946.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Zn(TMC-N-E), Zn(3Me-cyclam-N-EtOH)","Zinc(II) N-triméhyl-N-ethanol-cyclam","","- C15 H38 Cl4 N4 O3 Zn2 -","- C15 H36 Cl4 N4 O3 Zn2 -","- C120 H288 Cl32 N32 O24 Zn16 -","8","1","","AlHaddad, Nancy; Lelong, Evan; Suh, Jong-Min; Cordier, Marie; Lim, Mi Hee; Royal, Guy; Platas-Iglesias, Carlos; Bernard, Hélène; Tripier, Raphaël","Copper(ii) and zinc(ii) complexation with N-ethylene hydroxycyclams and consequences on the macrocyclic backbone configuration","Dalton Transactions","2022","","","","","10.1039/D2DT00941B","","x-ray","0.71073","MoKα","","0.093","0.0629","","","0.1699","0.192","","","","","","1.049","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7710407","13.2731","0.0003","12.4955","0.0003","13.2763","0.0003","90","","90","","90","","2201.93","0.09","295","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H11 Co N2 O6 P3 -","- C3 H11 Co N2 O6 P3 -","- C24 H88 Co8 N16 O48 P24 -","8","1","","Mączka, Mirosław; Gągor, Anna; Stefańska, Dagmara; Zaręba, Jan K.; Pikul, Adam","Structural, magnetic and photoluminescence properties of new hybrid hypophosphites: discovery of the first noncentrosymmetric and two cobalt-based members","Dalton Transactions","2022","","","","","10.1039/D2DT01212J","","x-ray","0.71073","MoKα","","0.0356","0.0255","","","0.0546","0.0578","","","","","","1.072","","","","has coordinates","275844","2022-06-06","22:57:23",""
"7710421","13.2069","0.0004","16.4828","0.0006","22.8799","0.0008","90","","90","","90","","4980.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H45 N4 O14 P3 -","- C13 H41 N4 O14 P3 -","- C104 H328 N32 O112 P24 -","8","1","","Pazderová, Lucia; Benešová, Martina; Havlíčková, Jana; Vojtíčková, Margareta; Kotek, Jan; Lubal, Přemysl; Ullrich, Martin; Walther, Martin; Schulze, Sabine; Neuber, Christin; Rammelt, Stefan; Pietzsch, Hans-Jürgen; Pietzsch, Jens; Kubíček, Vojtěch; Hermann, Petr","Cyclam with a phosphinate-bis(phosphonate) pendant arm is a bone-targeting carrier of copper radionuclides.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9541","9555","10.1039/d2dt01172g","","","1.54178","CuKα","","0.0619","0.0533","","","0.1403","0.1463","","","","","","1.056","","","","has coordinates,has disorder","276608","2022-07-06","08:07:05",""
"7710427","17.3441","0.0013","23.078","0.002","25.295","0.002","90","","90","","90","","10124.8","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H36 Mo12 N4 Na O55 P -","- C8 H17 Mo12 N4 Na O54 P -","- C64 H136 Mo96 N32 Na8 O432 P8 -","8","1","","Greijer, Björn H; Nestor, Gustav; Eriksson, Jan E.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Factors influencing stoichiometry and stability of polyoxometalate - peptide complexes.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9511","9521","10.1039/d2dt00717g","","","0.71073","MoKα","","0.0419","0.0373","","","0.1177","0.1212","","","","","","1.008","","","","has coordinates","276619","2022-07-06","08:10:28",""
"7710477","16.7058","0.0008","17.841","0.0009","21.8589","0.0012","90","","90","","90","","6515","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H35 N2 P2 Rh -","- C41 H35 N2 P2 Rh -","- C328 H280 N16 P16 Rh8 -","8","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","1.54178","CuKα","","0.0551","0.0404","","","0.092","0.0999","","","","","","1.038","","","","has coordinates","276011","2022-06-13","22:57:59",""
"7710508","11.2541","0.0002","14.2448","0.0002","24.6718","0.0003","90","","90","","90","","3955.2","0.1","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H15 Cl2 F2 N3 Pd -","- C20 H15 Cl2 F2 N3 Pd -","- C160 H120 Cl16 F16 N24 Pd8 -","8","1","","Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.","Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups","Dalton Transactions","2022","","","","","10.1039/D2DT00892K","","x-ray","0.71073","MoKα","","0.0306","0.0245","","","0.0618","0.0642","","","","","","1.023","","","","has coordinates","276072","2022-06-16","22:53:49",""
"7710653","16.2977","0.0001","16.1957","0.0001","16.9334","0.0001","90","","90","","90","","4469.62","0.05","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl3 N V -","- C20 H31 Cl3 N V -","- C160 H248 Cl24 N8 V8 -","8","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.0271","0.0256","","","0.0687","0.0699","","","","","","1.055","","","","has coordinates","276491","2022-07-01","22:52:42",""
"7710681","14.8725","0.0014","16.2572","0.0016","22.557","0.002","90","","90","","90","","5453.9","0.9","297","","297","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Mo N2 Ru S2 -","- C26 H38 Mo N2 Ru S2 -","- C208 H304 Mo8 N16 Ru8 S16 -","8","1","","Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping","A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine","Dalton Transactions","2022","","","","","10.1039/D2DT01378A","","","0.71073","MoKα","","0.067","0.0399","","","0.0797","0.0927","","","","","","1.048","","","","has coordinates,has disorder","276578","2022-07-05","22:53:17",""
"7710683","12.0479","0.0001","14.5349","0.0002","32.1411","0.0003","90","","90","","90","","5628.39","0.1","169.99","0.1","169.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tBu-PBP-Pt-BH4","","- C24 H48 B2 N2 P2 Pt -","- C24 H48 B2 N2 P2 Pt -","- C192 H384 B16 N16 P16 Pt8 -","8","1","","Chang, Jiarui; Ding, Man; Kang, Jiaxin; Zhang, Jie; Chen, Xuenian","Coordination mode and stability of the tetrahydroborate ligand in group 10 metal pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01357F","","x-ray","1.54184","CuKα","","0.0364","0.0334","","","0.0786","0.0805","","","","","","1.098","","","","has coordinates","276579","2022-07-05","22:54:23",""
"7710684","11.6767","0.0001","14.5335","0.0001","32.1537","0.0003","90","","90","","90","","5456.59","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tBu-PBP-Ni-BH4","","- C24 H48 B2 N2 Ni P2 -","- C24 H48 B2 N2 Ni P2 -","- C192 H384 B16 N16 Ni8 P16 -","8","1","","Chang, Jiarui; Ding, Man; Kang, Jiaxin; Zhang, Jie; Chen, Xuenian","Coordination mode and stability of the tetrahydroborate ligand in group 10 metal pincer complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01357F","","x-ray","1.54184","CuKα","","0.0357","0.0321","","","0.082","0.0839","","","","","","1.059","","","","has coordinates","276579","2022-07-05","22:54:23",""
"7710697","18.8282","0.0008","9.5569","0.0004","42.2102","0.0013","90","","90","","90","","7595.3","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H28 Cl6 Co N4 -","- C40 H28 Cl6 Co N4 -","- C320 H224 Cl48 Co8 N32 -","8","1","","Milani, Jorge Luiz Sônego; da Mata, Alvaro Farias Arruda; Oliveira, Igor Santos; Valdo, Ana Karoline Silva Medanha; Terra, Felipe Martins; Rabelo, Renato; Cangussu, Danielle; Cano, Joan; Lloret, Francesc; Julve, Miguel; das Chagas, Rafael Pavão","Single-molecule magnet behaviour and catalytic properties of tetrahedral Co(II) complexes bearing chloride and 1,2-disubstituted benzimidazole as ligands","Dalton Transactions","2022","","","","","10.1039/D2DT01440H","","","1.54178","CuKα","","0.1224","0.062","","","0.1436","0.1721","","","","","","1.018","","","","has coordinates","276825","2022-07-22","23:58:39",""
"7710773","9.891","0.002","12.172","0.002","30.653","0.006","90","","90","","90","","3690.4","1.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dicarbonyldichloridobis(methylphenylsulfane)ruthenium","","- C16 H16 Cl2 O2 Ru S2 -","- C16 H16 Cl2 O2 Ru S2 -","- C128 H128 Cl16 O16 Ru8 S16 -","8","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0523","0.0399","","","0.0944","0.1001","","","","","","1.051","","","","has coordinates","276845","2022-07-23","00:22:41",""
"7710804","14.546","0.0004","22.2303","0.0007","25.7237","0.0009","90","","90","","90","","8318.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H54 Cl N Nb -","- C50.997 H53.993 Cl N Nb -","- C407.976 H431.944 Cl8 N8 Nb8 -","8","1","","de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger","A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways","Dalton Transactions","2022","","","","","10.1039/D2DT02063G","","","0.71073","MoKα","","0.0615","0.0484","","","0.0868","0.0911","","","","","","1.123","","","","has coordinates,has disorder","276949","2022-07-26","22:54:46",""
"7710891","16.6873","0.0002","11.3724","0.0001","19.4505","0.0002","90","","90","","90","","3691.21","0.07","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C176 H232 N24 -","8","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0429","0.0408","","","0.1015","0.1038","","","","","","1.043","","","","has coordinates","277050","2022-08-02","22:58:52",""
"7710914","17.8918","0.0013","18.6494","0.0014","19.6329","0.0015","90","","90","","90","","6550.9","0.8","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H32 F12 N6 P2 Ru -","- C29 H32 F12 N6 P2 Ru -","- C232 H256 F96 N48 P16 Ru8 -","8","1","","Kumar, Rakesh; Awasthi, Ayushi; Gupta, Sikha; Eerlapally, Raju; Draksharapu, Apparao","Spectroscopic characterization of a Ru(III)-OCl intermediate: A structural mimic for haloperoxidase enzyme","Dalton Transactions","2022","","","","","10.1039/D2DT01947G","","","0.71073","MoKα","","0.0489","0.0364","","","0.0718","0.0792","","","","","","1.095","","","","has coordinates","277062","2022-08-03","22:54:57",""
"7710966","11.7933","0.0003","15.7809","0.0003","37.6134","0.0008","90","","90","","90","","7000.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N2 Pb -","- C19 H22 N2 Pb -","- C304 H352 N32 Pb16 -","16","2","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","0.71073","MoKα","","0.0898","0.056","","","0.0781","0.0855","","","","","","1.069","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7710987","28.1279","0.0006","19.5282","0.0004","36.8338","0.0007","90","","90","","90","","20232.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H85 F24 Fe2 N7 P8 Ru -","- C90 H85 F24 Fe2 N7 P8 Ru -","- C720 H680 F192 Fe16 N56 P64 Ru8 -","8","1","","xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu","The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration","Dalton Transactions","2022","","","","","10.1039/D2DT01313D","","x-ray","1.3405","GaKα","","0.0964","0.0622","","","0.1531","0.1715","","","","","","1.052","","","","has coordinates","277265","2022-08-16","22:48:29",""
"7711018","18.4417","0.0001","18.3074","0.0001","34.0176","0.0002","90","","90","","90","","11485","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H63 Cu N2 O2 -","- C74 H63 Cu N2 O2 -","- C592 H504 Cu8 N16 O16 -","8","1","","Ibni Hashim, Ishfaq; Tzouras, Nikolaos V.; Ma, Xinyuan; Bourda, Laurens; Van Hecke, Kristof; Nolan, Steven P.; Cazin, Catherine S. J.","Improved synthetic routes to N-heterocyclic carbene-metal-diketonato complexes of gold and copper","Dalton Transactions","2022","","","","","10.1039/D2DT02276A","","x-ray","1.54184","CuKα","","0.0502","0.0418","","","0.113","0.1194","","","","","","1.027","","","","has coordinates,has disorder","277313","2022-08-18","22:55:30",""
"7711038","16.358","0.019","8.262","0.01","20.2","0.02","90","","90","","90","","2730","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl5 N2 Pb2 -","- C5 H10 Cl5 N2 Pb2 -","- C40 H80 Cl40 N16 Pb16 -","8","1","","Wang, Yuyin; Sun, Chen; Su, Bin; Li, Xianfeng; Meng, Xiangxi; Lou, Huiru; Cheng, Ziwen; Wang, Ying; Lin, Guoming","Highly Efficient Broadband White-light Emission in Two-dimensional Semi-conductive Hybrid Lead–Chlorine Halide","Dalton Transactions","2022","","","","","10.1039/D2DT02108K","","","0.71073","MoKα","","0.0652","0.0368","","","0.082","0.0938","","","","","","1.061","","","","has coordinates","277334","2022-08-19","23:06:30",""
"7711040","21.3382","0.0007","17.6313","0.0005","25.4672","0.0007","90","","90","","90","","9581.3","0.5","150","2","150","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C118 H102 B2 Br0 F0 Fe N18 O2 P0 Ru0 -","- C118 H102 B2 Fe N18 O2 -","- C472 H408 B8 Fe4 N72 O8 -","4","0.5","","Francis, Samuel; Rice, Craig; Scattergood, Paul A.; Elliott, Paul","Synthesis and characterisation of group 8 tris(1-benzyl-1,2,3-triazol-4-yl)-p-anisoylmethane complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02503E","","","0.71073","MoKα","","0.0951","0.0628","","","0.1267","0.1391","","","","","","1.09","","","","has coordinates","277348","2022-08-22","22:50:52",""
"7711210","18.5324","0.0014","19.6563","0.0015","41.276","0.003","90","","90","","90","","15036","1.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H49 B N6 O1.25 S4 Zn -","- C31 H46 B N6 O S4 Zn -","- C496 H736 B16 N96 O16 S64 Zn16 -","16","2","","Sherbow, Tobias J.; Li, Keyan; Zakharov, Lev N.; Pluth, Michael D.","Synthesis and reactivity of a tris(carbene) zinc chloride complex","Dalton Transactions","2022","","","","","10.1039/D2DT02809C","","","1.54178","CuKα","","0.1304","0.0759","","","0.1827","0.2145","","","","","","1.023","","","","has coordinates,has disorder","277738","2022-09-08","22:47:36",""
"7711323","21.1966","0.0012","16.7104","0.001","23.044","0.0014","90","","90","","90","","8162.3","0.8","180","0.1","180","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","EtCAACScSi3","","- C34 H68 N Sc Si3 -","- C34 H68 N Sc Si3 -","- C272 H544 N8 Sc8 Si24 -","8","1","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.1018","0.0681","","","0.1662","0.185","","","","","","1.034","","","","has coordinates,has disorder","278138","2022-09-26","15:25:21",""
"7711324","21.2782","0.0004","17.1989","0.0003","41.7376","0.001","90","","90","","90","","15274.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H64 N Sc Si3 -","- C32 H64 N Sc Si3 -","- C512 H1024 N16 Sc16 Si48 -","16","2","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0563","0.04","","","0.0966","0.1031","","","","","","1.046","","","","has coordinates","278138","2022-09-26","15:25:25",""
"7711328","21.5528","0.0004","17.1763","0.0003","42.258","0.0006","90","","90","","90","","15643.8","0.5","179.99","0.1","179.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H64 Lu N Si3 -","- C32 H64 Lu N Si3 -","- C512 H1024 Lu16 N16 Si48 -","16","2","","Xiao, Yuyuan; Liu, Ziyu; Liang, Jiefeng; Yang, Kexin; Huang, Wenliang","Trivalent Rare-Earth Metal Cyclic (Alkyl)(Amino)Carbene Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02759C","","x-ray","0.71073","MoKα","","0.0558","0.0324","","","0.0654","0.0734","","","","","","1.012","","","","has coordinates","278138","2022-09-26","15:25:48",""
"7711332","10.9392","0.0003","8.0482","0.0003","37.8833","0.0012","90","","90","","90","","3335.28","0.19","150","0.1","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N2 O P Se -","- C17 H17 N2 O P Se -","- C136 H136 N16 O8 P8 Se8 -","8","1","","Sanjay Kumar, Siddharth; Rangarajan, Shalini; Kunchur, Harish S.; Balakrishna, Maravanji Shivaramaiah","A greener approach towards the synthesis of N-heterocyclic thiones and selones using mechanochemical technique","Dalton Transactions","2022","","","","","10.1039/D2DT02322A","","","0.71073","MoKα","","0.1185","0.0528","","","0.1165","0.1419","","","","","","1.025","","","","has coordinates","278140","2022-09-26","15:26:11",""
"7711336","18.2919","0.0005","9.442","0.0003","25.3572","0.0007","90","","90","","90","","4379.5","0.2","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H24 Cu N4 O7 -","- C21 H24 Cu N4 O7 -","- C168 H192 Cu8 N32 O56 -","8","1","","Ghosh, Dipankar; Damodaran, Krishna K.","Analysing the Role of Anions in the Synthesis of Catalytic Active Urea-based MOF","Dalton Transactions","2022","","","","","10.1039/D2DT02421G","","","1.54178","CuKα","","0.0759","0.0632","","","0.1641","0.1713","","","","","","1.172","","","","has coordinates","278198","2022-09-26","22:49:38",""
"7711337","15.2644","0.0006","18.3812","0.0006","25.627","0.0009","90","","90","","90","","7190.4","0.4","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H46 Cl4 N P Pd -","- C38 H46 Cl4 N P Pd -","- C304 H368 Cl32 N8 P8 Pd8 -","8","1","","Santamaría, Nazaret; Velasco, Clara; Marín, Mario; Maya, Celia; Nicasio, M. Carmen","LPdCl2(amine) Complexes Supported by Terphenyl Phosphanes: Applications in Aryl Amination Reactions","Dalton Transactions","2022","","","","","10.1039/D2DT01354A","","","0.56086","AgKα","","0.0536","0.036","","","0.0688","0.075","","","","","","1.05","","","","has coordinates,has disorder","278199","2022-09-26","22:50:53",""
"7711353","9.8775","0.0007","18.0953","0.0011","27.2297","0.0019","90","","90","","90","","4866.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H32 Mn3 N7 O22 -","- C36 H32 Mn3 N7 O22 -","- C144 H128 Mn12 N28 O88 -","4","0.5","","Yadav, Anand; Kumari, Sarita; Yadav, Preety; Hazra, Arpan; Chakraborty, Anindita; Kanoo, Prakash","Open metal site (OMS)-inspired investigation of adsorption and catalytic functions in a porous metal–organic framework (MOF)","Dalton Transactions","2022","","","","","10.1039/D2DT02098J","","","0.71073","MoKα","","0.0997","0.0914","","","0.1996","0.204","","","","","","1.162","","","","has coordinates","278227","2022-09-27","22:49:08",""
"7711389","18.7386","0.0008","22.8598","0.001","18.0928","0.0007","90","","90","","90","","7750.2","0.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly{[bis(2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO'')(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO,kO':kO',kO'')triaquasodium(I)dysprosium(III)] octahydrate}","","- C28 H46 Dy N4 Na O23 -","- C28 H46 Dy N4 Na O23 -","- C224 H368 Dy8 N32 Na8 O184 -","8","1","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Zabala-Lekuona, Andoni; Rodríguez Diéguez, Antonio; Cepeda, Javier","An Experimental and Theoretical Study of the Magnetic Relaxation in Heterometallic Coordination Polymers Based on 6-methyl-2-oxonicotinate and Lanthanide(III) Ions with Square Antriprismatic Environment","Dalton Transactions","2022","","","","","10.1039/D2DT02401B","","","0.71073","MoKα","","0.0209","0.0184","","","0.0477","0.0496","","","","","","1.068","","","","has coordinates","278340","2022-10-04","22:54:42",""
"7711396","19.484","0.004","19.062","0.004","38.558","0.008","90","","90","","90","","14321","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C51.5 H107 Na13 O11 -","- C51.5 H107 Na13 O11 -","- C412 H856 Na104 O88 -","8","1","","Cebi, Erkam; Streit, Sarah Marie; Klett, Jan","Size- and shape-adaptable mixed-alkoxide-aggregates: encapsulation of tetrafluoroborate and butadiynediide.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01517j","","","0.71073","MoKα","","0.0439","0.0312","","","0.0844","0.0875","","","","","","0.915","","","","has coordinates,has disorder","278342","2022-10-04","22:57:08",""
"7711490","15.2084","0.0007","19.1822","0.0007","37.2725","0.0014","90","","90","","90","","10873.5","0.8","240","1","240","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H70 B Co N4 O5 -","- C61 H70 B Co N4 O5 -","- C488 H560 B8 Co8 N32 O40 -","8","1","","Chegerev, Maxim; Korchagin, Denis V.; Shilov, Gennady V.; Efimov, N. N.; Starikov, Andrey; Piskunov, Alexandr Vladimirovich; Chernyshev, Anatoly V.; Bulgakov, Alexei; Minkin, Vladimir I.; Palii, Andrei; Aldoshin, Sergey M.","Magnetically bistable cobalt-dioxolene complexes with tetradentate N-donor base","Dalton Transactions","2022","","","","","10.1039/D2DT02874C","","x-ray","0.71073","MoKα","","0.1861","0.1062","","","0.2889","0.3434","","","","","","1.082","","","","has coordinates,has disorder","278575","2022-10-13","23:04:38",""
"7711616","25.774","0.005","17.081","0.003","28.009","0.005","90","","90","","90","","12331","4","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H30 Cl2 Mn N4 O -","- C33 H30 Cl2 Mn N4 O -","- C528 H480 Cl32 Mn16 N64 O16 -","16","2","","Liu, Lingling; Zhu, Tong; Cai, Changting; Wang, Lianke; Li, Shengli; Lian, Xiao; Feng, Yan; Tian, Yupeng; Zhang, Qiong","Ligand-regulated three-photon AIE properties of manganese(II) complexes for photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02410a","","","0.71073","MoKα","","0.1557","0.0775","","","0.1764","0.2455","","","","","","1.105","","","","has coordinates,has disorder","278886","2022-11-01","09:08:06",""
"7711704","20.8456","0.0002","34.2952","0.0004","28.337","0.0003","90","","90","","90","","20258.2","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H134 B3 Cr F12 N14 -","- C102 H134 B3 Cr F12 N14 -","- C816 H1072 B24 Cr8 F96 N112 -","8","1","","Stein, Laura; Wang, Cui; Förster, Christoph; Resch-Genger, Ute; Heinze, Katja","Bulky ligands protect molecular ruby from oxygen quenching","Dalton Transactions","2022","","","","","10.1039/D2DT02950B","","","0.71073","MoKα","","0.0743","0.0565","","","0.1461","0.1515","","","","","","0.934","","","","has coordinates,has disorder","279049","2022-11-07","23:58:10",""
"7711723","16.4219","0.0018","15.5131","0.0014","19.111","0.002","90","","90","","90","","4868.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H44 N4 O5 -","- C21 H44 N4 O5 -","- C168 H352 N32 O40 -","8","1","","Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.","CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides","Dalton Transactions","2022","","","","","10.1039/D2DT02262A","","","0.71073","MoKα","","0.0548","0.0472","","","0.1364","0.1448","","","","","","1.02","","","","has coordinates","279126","2022-11-08","23:59:51",""
"7711728","11.4139","0.0002","15.3554","0.0003","28.04","0.0005","90","","90","","90","","4914.43","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tBu-PNCNP-Pd-H","","- C22 H42 N2 P2 Pd -","- C22 H42 N2 P2 Pd -","- C176 H336 N16 P16 Pd8 -","8","1","","Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian","Reactions and catalytic applications of a PNCNP pincer palladium hydride complex","Dalton Transactions","2022","","","","","10.1039/D2DT03131K","","x-ray","1.54184","CuKα","","0.0541","0.0455","","","0.1152","0.1222","","","","","","1.067","","","","has coordinates","279128","2022-11-09","00:02:27",""
"7711731","16.9062","0.0002","14.971","0.0002","21.5306","0.0003","90","","90","","90","","5449.45","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tBu-PNCNP-Pd0OH","","- C22 H48 N2 O4 P2 Pd -","- C22 H48 N2 O4 P2 Pd -","- C176 H384 N16 O32 P16 Pd8 -","8","1","","Chang, Jiarui; Ding, Man; Mao, Jia-Xue; Zhang, Jie; Chen, Xuenian","Reactions and catalytic applications of a PNCNP pincer palladium hydride complex","Dalton Transactions","2022","","","","","10.1039/D2DT03131K","","x-ray","1.54184","CuKα","","0.0358","0.0305","","","0.0754","0.0785","","","","","","1.039","","","","has coordinates","279128","2022-11-09","00:02:27",""
"7711745","12.7205","0.0002","8.76982","0.00017","15.3669","0.0002","90","","90","","90","","1714.28","0.05","100","2","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Tang, Yongxing; Staples, Richard J.","Effects of nitric acid concentration for nitration of fused [1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-diamine","Dalton Transactions","2022","","","","","10.1039/D2DT03255D","","x-ray","1.54184","CuKα","","0.0341","0.0307","","","0.0786","0.0805","","","","","","1.033","","","","has coordinates","279220","2022-11-11","00:00:58",""
"7711800","7.188","0.0008","18.634","0.002","27.924","0.003","90","","90","","90","","3740.2","0.7","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N6 O2 Sn2 -","- C34 H50 N6 O2 Sn2 -","- C136 H200 N24 O8 Sn8 -","4","0.5","","Singh, Vivek Kumar; Joshi, Prakash Chandra; Kumar, Hemant; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Stannylene cyanide and its use as a cyanosilylation catalyst.","Dalton transactions (Cambridge, England : 2003)","2022","51","44","16906","16914","10.1039/d2dt02721f","","","0.71073","MoKα","","0.0558","0.0311","","","0.0649","0.0766","","","","","","1.0595","","","","has coordinates","279338","2022-11-17","00:04:36",""
"7711842","11.9146","0.0005","16.9265","0.0007","32.3157","0.0013","90","","90","","90","","6517.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-ttpy-sac-pz","","- C36 H24 N7 O6 Ru S3 -","- C36 H24 N7 O6 Ru S3 -","- C288 H192 N56 O48 Ru8 S24 -","8","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.","Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02203f","","x-ray","0.71073","MoKα","","0.0554","0.0387","","","0.0833","0.0936","","","","","","1.093","","","","has coordinates,has disorder","279520","2022-11-23","23:56:04",""
"7711916","6.0777","0.0001","22.5621","0.0005","22.9459","0.0006","90","","90","","90","","3146.47","0.12","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N6 O3 Re -","- C15 H11 N6 O3 Re -","- C120 H88 N48 O24 Re8 -","8","1","","Thanasekaran, Pounraj; Huang, Jui-Hsiang; Jhou, Cing-Rou; Tsao, Hsiang-Chun; Mendiratta, Shruti; Su, Cing-Huei; Liu, Ching-Ping; Liu, Yen-Hsiang; Huang, Jui-Hsien; Lu, Kuang-Lieh","A neutral mononuclear rhenium(I) complex with a rare <i>in situ</i>-generated triazolyl ligand for the luminescence ""turn-on"" detection of histidine.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","703","709","10.1039/d2dt03705j","","","0.71073","MoKα","","0.0219","0.0193","","","0.0428","0.044","","","","","","1.071","","","","has coordinates","283336","2023-05-05","02:38:25",""
"7711919","38.4705","0.0002","42.4265","0.0001","31.9924","0.0001","90","","90","","90","","52217","0.3","103","1","103","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZrMOP-ben-tetrahedron","","","- C192 H155 Cl4 O41 Zr12 -","- C192 H155 Cl4 O41 Zr12 -","- C1536 H1240 Cl32 O328 Zr96 -","8","1","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","x-ray","1.54184","CuKα","","0.0934","0.0852","","","0.196","0.2022","","","","","","1.064","","","","has coordinates,has disorder","283284","2023-05-05","02:04:16",""
"7712000","14.2726","0.0017","12.0903","0.0017","17.953","0.002","90","","90","","90","","3098","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Al O4 S -","- C12 H21 Al O4 S -","- C96 H168 Al8 O32 S8 -","8","1","","Tabernero, Vanessa; Teresa Muñoz, M; Palenzuela, Miguel; Gomila, Rosa M.; Frontera, Antonio; Mosquera, Marta E. G.","σ-Hole triel bonds in aluminium derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","551","555","10.1039/d2dt03581b","","x-ray","0.71073","MoKα","","0.0987","0.0488","","","0.1319","0.1529","","","","","","1.024","","","","has coordinates","283337","2023-05-05","02:38:49",""
"7712020","17.1453","0.0003","19.0113","0.0002","30.2806","0.0005","90","","90","","90","","9870.1","0.3","150","0.2","150","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H77 B3 Li O4 P3 Sn -","- C43 H77 B3 Li O4 P3 Sn -","- C344 H616 B24 Li8 O32 P24 Sn8 -","8","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","","0.71073","MoKα","","0.0773","0.0397","","","0.0795","0.0931","","","","","","1.01","","","","has coordinates,has disorder","283277","2023-05-05","01:57:55",""
"7712099","15.49117","0.00005","19.31164","0.00007","24.55861","0.00009","90","","90","","90","","7346.95","0.04","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Li2 Ni O4 -","- C42 H50 Li2 Ni O4 -","- C336 H400 Li16 Ni8 O32 -","8","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0405","0.0395","","","0.1031","0.1038","","","","","","1.041","","","","has coordinates","283323","2023-05-05","02:25:29",""
"7712100","12.16221","0.0001","28.5694","0.0003","42.1061","0.0003","90","","90","","90","","14630.5","0.2","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H102 Li4 Ni2 O4 -","- C70 H102 Li4 Ni2 O4 -","- C560 H816 Li32 Ni16 O32 -","8","1","","Borys, Andryj M.; Hevia, Eva","Diphenylacetylene stabilised alkali-metal nickelates: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2098","2105","10.1039/d3dt00069a","","x-ray","1.54184","CuKα","","0.0566","0.0524","","","0.1352","0.1377","","","","","","1.069","","","","has coordinates","283323","2023-05-05","02:25:29",""
"7712219","20.7298","0.0002","29.4124","0.0002","29.6444","0.0002","90","","90","","90","","18074.6","0.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C88 H81 F12 N O12 P6 Pb2 S4 -","- C88 H81 F12 N O12 P6 Pb2 S4 -","- C704 H648 F96 N8 O96 P48 Pb16 S32 -","8","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","x-ray","0.71073","MoKα","K-L~3~","0.0244","0.0191","","","0.0426","0.0448","","","","","","1.017","","","","has coordinates,has disorder","283245","2023-05-05","01:47:01",""
"7712236","18.9031","0.0013","26.3085","0.0017","30.518","0.002","90","","90","","90","","15177","1.7","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40.54 H46.83 Cl F3 N3 Ni O0.4 -","- C40.5415 H46.8285 Cl F3 N3 Ni O0.398 -","- C648.664 H749.256 Cl16 F48 N48 Ni16 O6.368 -","16","2","","Chiu, Weiling; Nadeau, Ben E.; Patrick, Brian O.; Love, Jennifer","Investigating the Mechanism of Ni-Mediated Trifluoromethylthiolation of Aryl Halides using AgSCF3","Dalton Transactions","2023","","","","","10.1039/D2DT03758K","","x-ray","0.71073","MoKα","","0.0687","0.0413","","","0.0987","0.1127","","","","","","1.018","","","","has coordinates,has disorder","280716","2023-02-01","00:02:14",""
"7712273","14.8421","0.0012","22.3318","0.0016","23.2202","0.0018","90","","90","","90","","7696.4","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl2 Cu N2 O10 P2 -","- C42 H32 Cl2 Cu N2 O10 P2 -","- C336 H256 Cl16 Cu8 N16 O80 P16 -","8","1","","Feng, Haosheng; Luo, Shao-Xiong Lennon; Croy, Robert G.; Essigmann, John M.; Swager, Timothy M.","Interaction of <i>N</i>-nitrosamines with binuclear copper complexes for luminescent detection.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03848j","","","0.71073","MoKα","","0.055","0.0417","","","0.0977","0.1055","","","","","","1.085","","","","has coordinates","280985","2023-02-20","09:51:06",""
"7712298","18.2031","0.001","24.9358","0.0016","26.8374","0.0017","90","","90","","90","","12181.7","1.3","193","2","193","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65 H47 B Cl3 F20 N O S Si -","- C65 H47 B Cl3 F20 N O S Si -","- C520 H376 B8 Cl24 F160 N8 O8 S8 Si8 -","8","1","","Dajnak, Aymeric; Shi, Limiao; Altınbaş Özpınar, Gül; Lenk, Romaric; Saffon-Merceron, Nathalie; Baceiredo, Antoine; Kato, Tsuyoshi; Müller, Thomas; Maerten, Eddy","Imine-stabilized silylium ions: synthesis, structure and application in catalysis","Dalton Transactions","2023","52","10","3052","3058","10.1039/D3DT00168G","","","0.71073","MoKα","","0.0944","0.0661","","","0.1569","0.1764","","","","","","1.057","","","","has coordinates,has disorder","282621","2023-04-13","12:20:54",""
"7712308","10.7356","0.0016","10.1583","0.0016","15.31","0.002","90","","90","","90","","1669.6","0.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H4 N16 O8 -","- C10 H4 N16 O8 -","- C40 H16 N64 O32 -","4","0.5","","Tang, Jie; Xiong, Hualin; Tang, Yongxing; Yang, Hongwei; Cheng, Guangbin","The design and synthesis of new advanced energetic materials based on pyrazole-triazole backbones.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00001j","","","0.71073","MoKα","","0.0684","0.0488","","","0.1209","0.1331","","","","","","1.031","","","","has coordinates,has disorder","280997","2023-02-20","10:08:32",""
"7712452","14.8863","0.0007","14.2089","0.0007","19.652","0.001","90","","90","","90","","4156.8","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H33 Br N Ni O P -","- C19 H33 Br N Ni O P -","- C152 H264 Br8 N8 Ni8 O8 P8 -","8","1","","Adilkhanova, Aziza; Frolova, Valeriya F.; Yessengazin, Azamat; Öztopçu, Özgür; Gudun, Kristina A.; Segizbayev, Medet; Matsokin, Nikita A.; Dmitrienko, Anton; Pilkington, Melanie; Khalimon, Andrey Y.","Synthesis and catalytic performance of nickel phosphinite pincer complexes in deoxygenative hydroboration of amides","Dalton Transactions","2023","52","9","2872","2886","10.1039/D2DT03801C","","","0.71073","MoKα","","0.0771","0.0461","","","0.0884","0.0993","","","","","","1.027","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712524","15.0602","0.0007","8.3101","0.0003","19.5118","0.0008","90","","90","","90","","2441.94","0.18","299.99","0.1","300.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H7 I3 N2 Pb S -","- C3 H7 I3 N2 Pb S -","- C24 H56 I24 N16 Pb8 S8 -","8","1","","Xu, Yan; Xu, Ke; He, Lei; Mu, Jie; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong","Effect of Pd(II) uptake on high-temperature phase transitions in a hybrid organic-inorganic perovskite semiconductor.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3815","3820","10.1039/d2dt03526j","","","0.71073","MoKα","","0.0828","0.0664","","","0.1718","0.183","","","","","","0.977","","","","has coordinates","283330","2023-05-05","02:35:46",""
"7712632","18.7355","0.001","11.1267","0.0005","5.0897","0.0003","90","","90","","90","","1061.02","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trilithium silicon dioxonitride","","","- Eu0.012 Li2.989 N O2 Si -","- Eu0.0129 Li2.9871 N O2 Si -","- Eu0.2064 Li47.7936 N16 O32 Si16 -","16","2","","Rießbeck, Kilian Max; Wimmer, Daniel Sebastian; Seibald, Markus; Baumann, Dominik; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert","Polymorphism and polymorph-dependent luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2+","Dalton Transactions","2023","","","","","10.1039/D2DT03921D","","x-ray","0.71073","MoKα","","0.0667","0.038","","","0.0778","0.0876","","","","1.31","1.31","1.18","","","","has coordinates","281897","2023-03-15","23:57:43",""
"7712638","16.225","0.0006","24.0393","0.001","25.4474","0.001","90","","90","","90","","9925.4","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51.5 H70 N4 P S -","- C45 H59 N4 P S -","- C360 H472 N32 P8 S8 -","8","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0802","0.0566","","","0.1536","0.1659","","","","","","1.014","","","","has coordinates,has disorder","281900","2023-03-16","00:02:46",""
"7712741","18.3371","0.0007","18.7052","0.0007","21.1107","0.0008","90","","90","","90","","7241","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H31 Cd I N12 O7 S -","- C31 H31 Cd I N12 O7 S -","- C248 H248 Cd8 I8 N96 O56 S8 -","8","1","","Yang, Chen; Wang, Qi; Zhang, Kou-Lin","Preparation, characterization and electrochemical sensing performance of a novel pristine Cd-MOF and the composite with carbon nanotubes","Dalton Transactions","2023","","","","","10.1039/D3DT00353A","","","0.71073","MoKα","","0.1301","0.0644","","","0.0958","0.1129","","","","","","1.082","","","","has coordinates","282441","2023-04-05","22:54:43",""
"7712758","11.0487","0.0001","15.7247","0.0002","20.1868","0.0002","90","","90","","90","","3507.2","0.06","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Ga N2 -","- C17 H29 Ga N2 -","- C136 H232 Ga8 N16 -","8","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","1.54184","CuKα","","0.0266","0.024","","","0.0646","0.0661","","","","","","1.044","","","","has coordinates","282602","2023-04-11","23:05:08",""
"7712759","11.1648","0.001","15.7523","0.0016","20.039","0.0016","90","","90","","90","","3524.3","0.6","100","10","100","10","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Al N2 -","- C17 H29 Al N2 -","- C136 H232 Al8 N16 -","8","1","","Werner, Luis; Hock, Andreas; Luz, Christian; Riethmann, Melanie; Radius, Udo","Subvalent Group 13 Molecules by Carbene-induced Hydrogen Abstraction","Dalton Transactions","2023","","","","","10.1039/D3DT00765K","","","0.71073","MoKα","","0.0569","0.0419","","","0.1071","0.1162","","","","","","1.031","","","","has coordinates","282602","2023-04-11","23:05:08",""
"7712777","18.1964","0.0003","17.2411","0.0003","36.1385","0.0006","90","","90","","90","","11337.6","0.3","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 Cl2 O2 P2 Pt -","- C30 H30 Cl2 O2 P2 Pt -","- C480 H480 Cl32 O32 P32 Pt16 -","16","2","","Baweja, Saral; Gabler, Tom; Lönnecke, Peter; Hey-Hawkins, Evamarie","Metal phosphine aldehyde complexes and their application in Cu-free Sonogashira and Suzuki-Miyaura cross-coupling reactions","Dalton Transactions","2023","","","","","10.1039/D3DT00507K","","","0.71073","MoKα","","0.052","0.0384","","","0.0733","0.0779","","","","","","1.1","","","","has coordinates","282678","2023-04-17","22:59:12",""
"7712830","18.7713","0.0015","21.0313","0.0017","27.802","0.002","90","","90","","90","","10975.8","1.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62.25 H43.5 Cl2.5 Ir N4 O4 S -","- C62.25 H43.5 Cl2.5 Ir N4 O4 S -","- C498 H348 Cl20 Ir8 N32 O32 S8 -","8","1","","Tatarin, Sergei V.; Smirnov, Daniil E.; Taydakov, Ilya V.; Metlin, Mikhail T.; Emets, Victor; Bezzubov, Stanislav","Tailoring the π-system of benzimidazole ligands towards stable light-harvesting cyclometalated iridium(III) complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00200D","","x-ray","0.71073","MoKα","","0.0624","0.0572","","","0.1348","0.1376","","","","","","1.187","","","","has coordinates,has disorder","282754","2023-04-19","23:53:15",""
"7712872","12.5836","0.0006","14.5133","0.0007","24.974","0.0011","90","","90","","90","","4561","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Cl2 N2 Pt S2 -","- C26 H16 Cl2 N2 Pt S2 -","- C208 H128 Cl16 N16 Pt8 S16 -","8","1","","Corral-Zorzano, Andrea; Gómez de Segura, David; Lalinde, Elena; Moreno, M. Teresa","Phosphorescent 2-phenylbenzothiazole Pt<sup>IV</sup> bis-cyclometalated complexes with phenanthroline-based ligands.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00801k","","x-ray","0.71076","MoKα","","0.0156","0.015","","","0.0345","0.0349","","","","","","1.102","","","","has coordinates","282862","2023-04-26","22:58:19",""
"7712903","19.825","0.015","19.385","0.014","28.47","0.02","90","","90","","90","","10941","14","296.15","","296.15","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C36 H74 B Cl3 Fe3 N10 S3 Si W -","- C36 H74 B Cl3 Fe3 N10 S3 Si W -","- C288 H592 B8 Cl24 Fe24 N80 S24 Si8 W8 -","8","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","0.71073","MoKα","","0.1418","0.096","","","0.1786","0.2041","","","","","","1.224","","","","has coordinates,has disorder","282934","2023-05-01","22:51:48",""
"7712921","13.8328","0.0002","10.7428","0.0002","28.2055","0.0004","90","","90","","90","","4191.42","0.12","200","0.1","200","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 F2 N2 O4 Ti -","- C22 H26 F2 N2 O4 Ti -","- C176 H208 F16 N16 O32 Ti8 -","8","1","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.0421","0.0329","","","0.089","0.0938","","","","","","1.035","","","","has coordinates","282966","2023-05-03","22:58:37",""
"7712987","6.8847","0.0005","15.7843","0.0008","38.549","0.002","90","","90","","90","","4189.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 Cl2 N4 Zn -","- C24 H14 Cl2 N4 Zn -","- C192 H112 Cl16 N32 Zn8 -","8","1","","Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.","Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex","Dalton Transactions","2023","","","","","10.1039/D3DT00347G","","x-ray","1.54184","CuKα","","0.1385","0.0928","","","0.1489","0.162","","","","","","1.244","","","","has coordinates","283634","2023-05-09","22:51:19",""
"7713129","17.2249","0.0003","14.0349","0.0003","18.3854","0.0004","90","","90","","90","","4444.67","0.16","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Cl N2 Pd -","- C21 H31 Cl N2 Pd -","- C168 H248 Cl8 N16 Pd8 -","8","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0478","0.0311","","","0.0654","0.0737","","","","","","1.071","","","","has coordinates","283948","2023-05-22","22:57:22",""
"7713257","10.6081","0.0002","9.5189","0.0002","41.2655","0.0007","90","","90","","90","","4166.88","0.14","295.61","0.18","295.61","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl Fe N4 O3 Re -","- C20 H14 Cl Fe N4 O3 Re -","- C160 H112 Cl8 Fe8 N32 O24 Re8 -","8","1","","Jakopec, Silvio; Gourdon-Grünewaldt, Lisa; Čipor, Ivona; Meščić Macan, Andrijana; Perić, Berislav; Piantanida, Ivo; Cariou, Kevin; Gasser, Gilles; Kirin, Srećko I; Raić-Malić, Silvana","Synthesis, characterisation and biological evaluation of monometallic Re(I) and heterobimetallic Re(I)/Fe(II) complexes with a 1,2,3-triazolyl pyridine chelating moiety.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01070h","","","1.54184","CuKα","","0.0593","0.0522","","","0.1416","0.1473","","","","","","1.074","","","","has coordinates","284609","2023-06-29","10:46:47",""
"7713282","18.683","0.003","14.963","0.002","19.074","0.003","90","","90","","90","","5332.2","1.4","100.15","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1","","- C27 H39 N2 O3 V -","- C27 H39 N2 O3 V -","- C216 H312 N16 O24 V8 -","8","1","","Wu, Ruiyao; Niu, Zhen; Xia, Zhu; He, Jianyun; Bai, Chenxi","Vanadium complexes bearing 8-anilide-5,6,7-trihydroquinoline ligands for ethylene (co-)polymerization.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8636","8644","10.1039/d3dt01065a","","","0.71073","MoKα","","0.0803","0.0506","","","0.1167","0.1381","","","","","","1.045","","","","has coordinates","284620","2023-06-29","10:59:11",""
"7713303","16.7567","0.0012","21.2461","0.001","16.9058","0.0007","90","","90","","90","","6018.7","0.6","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H15 Cl15 N2 O Se4 -","- C8 H15 Cl15 N2 O Se4 -","- C64 H120 Cl120 N16 O8 Se32 -","8","1","","Bonnin, Maxime A.; Feldmann, Claus","Oxychloridoselenites(IV) with cubane-derived anions and stepwise chlorine-to-oxygen exchange.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01424j","","","1.34143","GaKα","","0.0337","0.024","","","0.0583","0.0603","","","","","","0.934","","","","has coordinates","284626","2023-06-29","11:05:46",""
"7713323","14.013","0.003","13.767","0.003","24.041","0.005","90","","90","","90","","4637.9","1.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl2 Cu N4 O3 S -","- C23 H20 Cl2 Cu N4 O3 S -","- C184 H160 Cl16 Cu8 N32 O24 S8 -","8","1","","Singh, Karampal; Northcote-Smith, Joshua; Singh, Kuldip; Suntharalingam, Kogularamanan","Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01294h","","","0.71073","MoKα","","0.0622","0.0419","","","0.0909","0.0967","","","","","","0.949","","","","has coordinates","284729","2023-06-30","22:46:50",""
"7713389","20.132","0.002","11.9175","0.0016","28.727","0.004","90","","90","","90","","6892.3","1.5","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H58 F18 N14 Ni2 O2 S6 -","- C47 H58 F18 N14 Ni2 O2 S6 -","- C188 H232 F72 N56 Ni8 O8 S24 -","4","0.5","","Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.","Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01052j","","","0.71073","MoKα","","0.0754","0.0558","","0.0839","0.0823","0.0823","","","","","","1.0001","","","","has coordinates,has disorder","284793","2023-07-04","23:06:58",""
"7713459","16.6136","0.0013","21.0053","0.0016","24.6615","0.0019","90","","90","","90","","8606.2","1.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ir(phpyr-CF3)2tmd","","- C204 H166 F24 Ir4 N8 O9 -","- C204 H166 F24 Ir4 N8 O9 -","- C408 H332 F48 Ir8 N16 O18 -","2","0.25","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0526","0.0304","","","0.0788","0.0891","","","","","","1.057","","","","has coordinates,has disorder","285190","2023-07-12","23:08:20",""
"7713531","18.4496","0.0005","17.9295","0.0005","33.6445","0.0009","90","","90","","90","","11129.3","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl4 Mn N4 O6 Re -","- C22 H24 Cl4 Mn N4 O6 Re -","- C352 H384 Cl64 Mn16 N64 O96 Re16 -","16","2","","Bagchi, Sukanya; Kamilya, Sujit; Mehta, Sakshi; Mandal, Subhankar; Bandyopadhyay, Arka; Narayan, Awadhesh; Ghosh, Subrata; Mondal, Abhishake","Spin-State Switching: Chemical Modulation and the Impact of Intermolecular Interactions in Manganese(III) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01707A","","","0.71073","MoKα","","0.0469","0.0286","","","0.0487","0.0544","","","","","","1.03","","","","has coordinates","285284","2023-07-19","23:02:02",""
"7713537","22.8904","0.0011","14.1561","0.0006","24.2635","0.0013","90","","90","","90","","7862.3","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C336 H352 N32 O80 -","16","2","","Villaman, David; Vega, Andres; Santa María de la Parra, Lucía; Leon, Ignacio; Levin, Pedro; Toro, Patricia M.","Anticancer activity of Ni(II) and Zn(II) complexes based on new unsymmetrical salophen-type ligands: Synthesis, characterization and single-crystal X-ray diffraction","Dalton Transactions","2023","","","","","10.1039/D3DT00800B","","","0.71073","MoKα","","0.1167","0.0579","","","0.1484","0.1875","","","","","","1.002","","","","has coordinates,has disorder","285286","2023-07-19","23:03:51",""
"7713832","9.7164","0.0002","13.4856","0.0002","26.2318","0.0004","90","","90","","90","","3437.19","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H25 Cl Cr N2 -","- C16 H25 Cl Cr N2 -","- C128 H200 Cl8 Cr8 N16 -","8","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0408","0.0371","","","0.0903","0.0924","","","","","","1.051","","","","has coordinates,has disorder","285917","2023-08-30","23:02:49",""
"7713942","15.6194","0.0003","22.2002","0.0004","23.7789","0.0004","90","","90","","90","","8245.4","0.3","99.98","","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Ag N O4 P2 Si2 -","- C42 H48 Ag N O4 P2 Si2 -","- C336 H384 Ag8 N8 O32 P16 Si16 -","8","1","","Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana","New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions","Dalton Transactions","2023","","","","","10.1039/D3DT01692G","","x-ray","1.54184","CuKα","","0.0631","0.0603","","","0.1738","0.1783","","","","","","1.073","","","","has coordinates","286311","2023-09-12","22:59:50",""
"7713951","12.3813","0.0004","14.5936","0.0004","17.3975","0.0006","90","","90","","90","","3143.51","0.17","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H18 Cl N3 O3 Zn -","- C15 H18 Cl N3 O3 Zn -","- C120 H144 Cl8 N24 O24 Zn8 -","8","1","","Das, Athulya; Sankaralingam, Muniyandi","Are Zn(II) pincer complexes efficient apoptosis inducers? A deeper insight against A549 lung cancer cells","Dalton Transactions","2023","","","","","10.1039/D3DT02419A","","","1.54178","CuKα","","0.0916","0.0641","","","0.1544","0.182","","","","","","1.096","","","","has coordinates","286347","2023-09-14","22:57:57",""
"7714016","8.9968","0.0011","8.5684","0.0011","16.2469","0.0018","90","","90","","90","","1252.4","0.3","295.74","0.1","295.74","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cd N14 -","- C8 H8 Cd N14 -","- C32 H32 Cd4 N56 -","4","0.5","","Xie, Haohui; Weng, Jiao-Lin; Song, Ji-Xing; Yang, Wen-Jing; Wang, Qin; Cui, Meng; Zheng, Fa-Kun; Qiu, Renhui; Xu, Jian-Gang","Refinement of the sensitive azides via in situ generated azole-based metal−organic frameworks towards stable energetic materials","Dalton Transactions","2023","","","","","10.1039/D3DT01804K","","x-ray","0.71073","MoKα","","0.0587","0.0348","","","0.077","0.0851","","","","","","1.037","","","","has coordinates","286492","2023-09-23","22:47:05",""
"7714094","8.0396","0.0002","15.6897","0.0004","58.4856","0.0016","90","","90","","90","","7377.3","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N2 P -","- C17 H25 N2 P -","- C272 H400 N32 P16 -","16","2","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0849","0.0761","","","0.1771","0.1811","","","","","","1.199","","","","has coordinates","286642","2023-10-03","22:53:43",""
"7714104","10.9389","0.0003","16.6305","0.0004","25.9319","0.0006","90","","90","","90","","4717.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 N2 P -","- C24 H39 N2 P -","- C192 H312 N16 P8 -","8","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","1.54178","CuKα","","0.0349","0.0329","","","0.089","0.0917","","","","","","1.063","","","","has coordinates,has disorder","286642","2023-10-03","22:57:16",""
"7714130","16.2664","0.0003","9.3324","0.0002","23.3511","0.0005","90","","90","","90","","3544.8","0.13","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl I N2 Pt S -","- C18 H12 Cl I N2 Pt S -","- C144 H96 Cl8 I8 N16 Pt8 S8 -","8","1","","Gitlina, Anastasiia Yu.; Petrovskii, Stanislav; Luginin, Maksim; Melnikov, Alexei S.; Rychagova, Elena A.; Ketkov, Sergey Yu.; Grachova, Elena V.","X/Y Platinum(II) complexes: some features of supramolecular assembly via halogen bonding","Dalton Transactions","2023","","","","","10.1039/D3DT02970K","","","0.71073","MoKα","","0.0193","0.0173","","","0.0372","0.0379","","","","","","1.148","","","","has coordinates","286833","2023-10-06","22:58:50",""
"7714156","18.3903","0.0007","17.3243","0.0009","21.8453","0.0012","90","","90","","90","","6959.9","0.6","120","2","120","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C38 H36 B Cl F4 Fe N P Pd S -","- C38 H36 B Cl F4 Fe N P Pd S -","- C304 H288 B8 Cl8 F32 Fe8 N8 P8 Pd8 S8 -","8","1","","Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr","Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors","Dalton Transactions","2023","","","","","10.1039/D3DT02717A","","","0.71073","MoKα","","0.0671","0.0416","","","0.104","0.1195","","","","","","1.034","","","","has coordinates","286838","2023-10-06","23:08:22",""
"7714201","15.938","0.0003","16.7591","0.0002","25.872","0.0003","90","","90","","90","","6910.58","0.17","123","2","123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-t-butylgallium 8-hydroxyquinolinolate","","- C17 H24 Ga N O -","- C17 H24 Ga N O -","- C272 H384 Ga16 N16 O16 -","16","2","","Duffin, Rebekah N.; Andrews, Philip Craig","Structure-activity effects in the anti-leishmanial activity of di-alkyl gallium quinolin-8-olates","Dalton Transactions","2023","","","","","10.1039/D3DT02542J","","","1.54184","CuKα","","0.0657","0.0523","","","0.1347","0.1448","","","","","","1.032","","","","has coordinates,has disorder","286945","2023-10-12","23:07:26",""
"7714226","15.8846","0.0008","7.6949","0.0003","22.225","0.001","90","","90","","90","","2716.6","0.2","232.99","0.1","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","C7H16PbBr3","","- C7 H16 Br3 N Pb -","- C7 H16 Br3 N Pb -","- C56 H128 Br24 N8 Pb8 -","8","1","","Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu","The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02924G","","","0.71073","MoKα","","0.0888","0.0498","","","0.102","0.1148","","","","","","1.076","","","","has coordinates","286966","2023-10-13","22:56:16",""
"7714228","17.0361","0.0008","7.6699","0.0003","21.3038","0.0012","90","","90","","90","","2783.7","0.2","298.23","0.1","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[C7H16N]PbBr2-233K","","- C7 Br3 N Pb -","- C7 Br3 N Pb -","- C56 Br24 N8 Pb8 -","8","1","","Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu","The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites","Dalton Transactions","2023","","","","","10.1039/D3DT02924G","","x-ray","0.71073","MoKα","","0.1511","0.0805","","","0.1858","0.224","","","","","","1.068","","","","has coordinates,has disorder","286966","2023-10-13","22:56:17",""
"7714244","19.691","0.007","15.587","0.007","20.196","0.009","90","","90","","90","","6199","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H90 Cl2 P2 Rh2 Si4 -","- C64 H90 Cl2 P2 Rh2 Si4 -","- C256 H360 Cl8 P8 Rh8 Si16 -","4","0.5","","Abeynayake, Niroshani S.; Le, Nghia; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Webster, Charles Edwin; Montiel-Palma, Virginia","Unexpected alkyl isomerization at the silicon ligand of an unsaturated Rh complex: combined experiment and theory","Dalton Transactions","2023","","","","","10.1039/D3DT02087H","","","0.71073","MoKα","","0.0426","0.0316","","","0.081","0.0894","","","","","","1.062","","","","has coordinates","287022","2023-10-18","22:55:07",""
"7714253","13.80951","0.00016","14.64287","0.00017","20.4888","0.0002","90","","90","","90","","4143.06","0.08","173.01","0.1","173.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 N3 O Pd -","- C13 H13 Cl2 N3 O Pd -","- C104 H104 Cl16 N24 O8 Pd8 -","8","1","","Reusser, Esaie; Albrecht, Martin","Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03182A","","x-ray","1.54184","CuKα","","0.0425","0.0394","","","0.1222","0.125","","","","","","1.095","","","","has coordinates","287024","2023-10-18","22:58:16",""
"7714269","15.8107","0.0008","18.733","0.0008","19.3851","0.0009","90","","90","","90","","5741.5","0.5","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H43 Li N2 O2 -","- C31 H43 Li N2 O2 -","- C248 H344 Li8 N16 O16 -","8","1","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.0461","0.0411","","","0.1023","0.1069","","","","","","1.026","","","","has coordinates,has disorder","287067","2023-10-20","23:05:40",""
"7714272","9.101","0.003","22.767","0.007","37.013","0.012","90","","90","","90","","7669","4","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F2 N2 -","- C19 H25 B F2 N2 -","- C304 H400 B16 F32 N32 -","16","2","","Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli","Blue Emissive Amidinate Based Tetra coordinate Boron Compounds","Dalton Transactions","2023","","","","","10.1039/D3DT03378C","","","0.71073","MoKα","","0.188","0.1061","","","0.2389","0.2858","","","","","","1.043","","","","has coordinates,has disorder","287067","2023-10-20","23:05:41",""
"7714276","16.9579","0.0004","17.0098","0.0005","28.8179","0.0008","90","","90","","90","","8312.5","0.4","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H74 N2 Ru2 -","- C44 H66 N2 Ru2 -","- C352 H528 N16 Ru16 -","8","1","","Takao, Toshihiro; Shimogawa, Ryuichi; Fujita, Ryosuke; Egawa, Shu","Synthesis of Diruthenium μ-η4-α-Diimine Complex via Dehydrogenative Coupling of Cyclic Amines and Its Role in Dehydrogenative Oxidation of Pyrrolidine","Dalton Transactions","2023","","","","","10.1039/D3DT03187J","","","0.71069","MoKα","","0.0487","0.0358","","","0.0819","0.087","","","","","","1.022","","","","has coordinates,has disorder","287068","2023-10-20","23:07:56",""
"7714300","12.4512","0.0011","18.8303","0.0014","24.5695","0.0019","90","","90","","90","","5760.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H42 B O P -","- C33 H42 B O P -","- C264 H336 B8 O8 P8 -","8","1","","Aman, Michal; Dostál, Libor; R°užička, Aleš; Ruzickova, Zdenka; Jambor, Roman","B-substituted group 1 phosphides: Synthesis and reactivity","Dalton Transactions","2023","","","","","10.1039/D3DT02568C","","","0.71073","MoKα","","0.0892","0.0715","","","0.139","0.1435","","","","","","1.227","","","","has coordinates","287098","2023-10-24","23:00:22",""
"7714314","8.8488","0.0004","16.8077","0.0009","29.576","0.0016","90","","90","","90","","4398.8","0.4","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Cl N P -","- C22 H33 Cl N P -","- C176 H264 Cl8 N8 P8 -","8","1","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.0877","0.0625","","","0.1566","0.1711","","","","","","1.053","","","","has coordinates","287119","2023-10-25","22:57:21",""
"7714316","15.5985","0.0009","19.432","0.0013","29.7451","0.0016","90","","90","","90","","9016","0.9","298","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 I N P -","- C22 H33 I N P -","- C352 H528 I16 N16 P16 -","16","2","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.0873","0.0456","","","0.1029","0.1255","","","","","","1.009","","","","has coordinates,has disorder","287119","2023-10-25","22:57:22",""
"7714317","9.2049","0.0008","16.6408","0.0013","29.176","0.003","90","","90","","90","","4469.1","0.7","302","2","302","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Br N P -","- C22 H33 Br N P -","- C176 H264 Br8 N8 P8 -","8","1","","Kundu, Subrata; Yadav, Ritu; Das, Bindusagar; Singh, Ashi; Anmol, Anmol; Sharma, Ankita; Majumder, Chinmoy","Bicyclic (Alkyl)(Amino)Carbene (BICAAC) Supported Phosphinidenes","Dalton Transactions","2023","","","","","10.1039/D3DT02765A","","","0.71073","MoKα","","0.0587","0.0393","","","0.0962","0.1067","","","","","","1.063","","","","has coordinates,has disorder","287119","2023-10-25","22:57:22",""
"7714356","11.4548","0.0007","15.301","0.001","28.4594","0.0017","90","","90","","90","","4988.1","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Br2 F6 O Rh -","- C21 H31 Br2 F6 O Rh -","- C168 H248 Br16 F48 O8 Rh8 -","8","1","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0865","0.0705","","","0.1581","0.165","","","","","","1.213","","","","has coordinates","287184","2023-11-01","00:01:54",""
"7714360","18.4463","0.0003","22.9213","0.0004","25.6566","0.0004","90","","90","","90","","10847.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 F3 O Rh -","- C28 H44 F3 O Rh -","- C448 H704 F48 O16 Rh16 -","16","2","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.0514","0.0417","","","0.0916","0.0968","","","","","","1.109","","","","has coordinates,has disorder","287184","2023-11-01","00:01:54",""
"7714445","18.4614","0.0002","12.6536","0.0002","19.6198","0.0002","90","","90","","90","","4583.25","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tBu-POCN-Ni-SPh","","- C25 H30 N Ni O P S -","- C25 H30 N Ni O P S -","- C200 H240 N8 Ni8 O8 P8 S8 -","8","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.039","0.034","","","0.0889","0.0919","","","","","","1.036","","","","has coordinates","287500","2023-11-09","23:56:00",""
"7714468","10.758","0.0002","13.7934","0.0003","31.8783","0.0006","90","","90","","90","","4730.4","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H33 Cl2 Co N5 O -","- C18 H33 Cl2 Co N5 O -","- C144 H264 Cl16 Co8 N40 O8 -","8","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0647","0.0541","","","0.1579","0.1661","","","","","","1.07","","","","has coordinates","287631","2023-11-16","00:00:06",""
"7714470","15.2438","0.0002","16.37741","0.00019","17.6591","0.0002","90","","90","","90","","4408.66","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H29 Cl Co N6 O5 -","- C18 H29 Cl Co N6 O5 -","- C144 H232 Cl8 Co8 N48 O40 -","8","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.059","0.0485","","","0.136","0.1439","","","","","","1.051","","","","has coordinates","287631","2023-11-16","00:00:06",""
"7714473","15.3931","0.0002","16.2764","0.0002","17.5144","0.0003","90","","90","","90","","4388.13","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Cl Co N8 O4 -","- C17 H29 Cl Co N8 O4 -","- C136 H232 Cl8 Co8 N64 O32 -","8","1","","Zahradníková, Eva; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Trigonal prismatic coordination geometry imparted by a macrocyclic ligand: an approach to large axial magnetic anisotropy for Co(II)","Dalton Transactions","2023","","","","","10.1039/D3DT02639F","","","1.54184","CuKα","","0.0588","0.0502","","","0.1459","0.1531","","","","","","1.042","","","","has coordinates","287631","2023-11-16","00:00:07",""
"7714586","11.4502","0.0005","21.0742","0.0011","24.4213","0.0011","90","","90","","90","","5893","0.5","149.97","","149.97","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H12 B2 F20 Si -","- C29 H12 B2 F20 Si -","- C232 H96 B16 F160 Si8 -","8","1","","Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.","Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","1178","1189","10.1039/d3dt03660j","","","0.71073","MoKα","","0.0638","0.036","","","0.0715","0.0854","","","","","","1.043","","","","has coordinates","289556","2024-02-04","12:14:21",""
"7714662","13.8972","0.0001","15.6087","0.0001","41.3288","0.0003","90","","90","","90","","8964.93","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H72 B2 N2 -","- C52 H72 B2 N2 -","- C416 H576 B16 N16 -","8","1","","Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger","CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","449","453","10.1039/d3dt03787h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0595","0.0463","","","0.1211","0.1287","","","","","","1.073","","","","has coordinates","289528","2024-02-04","12:03:21",""
"7714680","15.2257","0.0012","12.0543","0.0009","21.5492","0.0017","90","","90","","90","","3955","0.5","297","2","297.06","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Br N3 O2 Zn -","- C21 H20 Br N3 O2 Zn -","- C168 H160 Br8 N24 O16 Zn8 -","8","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0366","0.0262","","","0.0611","0.0656","","","","","","1.026","","","","has coordinates","289545","2024-02-04","12:07:01",""
"7714686","15.507","0.004","11.929","0.003","21.331","0.005","90","","90","","90","","3945.9","1.7","150","2","150.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N4 O4 Zn -","- C21 H20 N4 O4 Zn -","- C168 H160 N32 O32 Zn8 -","8","1","","Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit","Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","949","965","10.1039/d3dt03768a","","x-ray","0.71073","MoKα","","0.0735","0.0451","","","0.1051","0.1249","","","","","","1.037","","","","has coordinates,has disorder","289545","2024-02-04","12:07:01",""
"7714833","6.2321","0.0002","10.9604","0.0003","35.1593","0.0009","90","","90","","90","","2401.6","0.12","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N7 O8 -","- C6 H9 N7 O8 -","- C48 H72 N56 O64 -","8","1","","Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.","Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","903","907","10.1039/d3dt03954d","","x-ray","1.54184","CuKα","","0.0502","0.0432","","","0.1124","0.1168","","","","","","1.055","","","","has coordinates","289538","2024-02-04","12:04:55",""
"7714837","10.785","0.0006","18.8928","0.0012","27.6382","0.0015","90","","90","","90","","5631.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Cl2 P2 Ru -","- C28 H40 Cl2 P2 Ru -","- C224 H320 Cl16 P16 Ru8 -","8","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","0.71073","MoKα","","0.0854","0.0455","","","0.0899","0.1136","","","","","","1.138","","","","has coordinates,has disorder","289496","2024-02-04","11:55:28",""
"7714996","18.459","0.003","19.596","0.003","20.09","0.003","90","","90","","90","","7267","2","298","2","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Cl N6 O2 Ru2 -","- C38 H36 Cl N6 O2 Ru2 -","- C304 H288 Cl8 N48 O16 Ru16 -","8","1","","Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu","Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru<sup>II</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5010","5019","10.1039/d3dt01861j","","","0.71073","MoKα","","0.0411","0.0386","","","0.0931","0.095","","","","","","1.185","","","","has coordinates","290975","2024-04-04","23:34:07",""
"7715037","15.299","0.0007","15.0695","0.0005","25.0075","0.001","90","","90","","90","","5765.4","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 O6 Ru2 S2 W -","- C27 H32 O6 Ru2 S2 W -","- C216 H256 O48 Ru16 S16 W8 -","8","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","x-ray","0.71073","MoKα","","0.0498","0.0314","","","0.075","0.0829","","","","","","1.053","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715040","15.288","0.008","15.103","0.007","24.967","0.012","90","","90","","90","","5765","5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H32 Mo O6 Ru2 S2 -","- C27 H32 Mo O6 Ru2 S2 -","- C216 H256 Mo8 O48 Ru16 S16 -","8","1","","Bairagi, Subhash; Giri, Soumen; Patel, Deepak Kumar; Luong, Diana; Fokwa, Boniface P. T.; Ghosh, Sundargopal","Hetero-trimetallic complexes comprising bridging boryl and borylene ligands: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3191","3205","10.1039/d3dt03907b","","","0.71073","MoKα","","0.0441","0.0294","","","0.0589","0.0661","","","","","","1.128","","","","has coordinates","290202","2024-03-04","20:23:10",""
"7715106","16.3251","0.0009","15.086","0.0008","23.0509","0.0014","90","","90","","90","","5677","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H25 Cd N5 O5 -","- C35 H25 Cd N5 O5 -","- C280 H200 Cd8 N40 O40 -","8","1","","Li, Jiahao; Mao, Anruo; Hu, Xinyu; Wang, Likui; Wang, Dawei; Duan, Zheng-Chao","Preparation of a novel cadmium-containing coordination polymer and catalytic application in the synthesis of <i>N</i>-alkylated aminoquinoline derivatives <i>via</i> the borrowing hydrogen approach.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5064","5072","10.1039/d3dt04221a","","","0.71076","MoKα","","0.0388","0.028","","","0.0671","0.0743","","","","","","1.021","","","","has coordinates,has disorder","290963","2024-04-04","23:31:15",""
"7715120","24.0573","0.0008","36.8217","0.0013","10.7953","0.0004","90","","90","","90","","9562.8","0.6","193","","193","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C98 H102 Cl2 Dy2 N12 O12 P2 -","- C98 H102 Cl2 Dy2 N12 O12 P2 -","- C392 H408 Cl8 Dy8 N48 O48 P8 -","4","0.5","","Yao, Min-Xia; Gao, Yu-Qi; An, Zhong-Wu; Zhu, Dong-Mei","The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in Dy<sup>III</sup> complexes with <i>D</i><sub>5h</sub> configuration based on an aggregation-induced-emission-active ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","5133","5146","10.1039/d3dt04257j","","","0.71073","MoKα","","0.0844","0.051","","","0.0936","0.1103","","","","","","1.087","","","","has coordinates,has disorder","290962","2024-04-04","23:31:06",""
"7715147","20.2465","0.0004","24.7118","0.0004","28.626","0.0005","90","","90","","90","","14322.4","0.4","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C164.9 H125.79 K8 O8 -","- C164.898 H125.796 K8 O8 -","- C659.592 H503.184 K32 O32 -","4","0.5","","Davison, Nathan; Hemingway, Jack M.; Waddell, Paul G.; Lu, Erli","Lithium, sodium and potassium enolate aggregates and monomers: syntheses and structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4719","4728","10.1039/d4dt00211c","","x-ray","1.54184","CuKα","","0.0645","0.0555","","","0.163","0.1697","","","","","","1.039","","","","has coordinates,has disorder","290923","2024-04-04","23:21:09",""
"7715260","11.9119","0.0009","15.6223","0.0012","19.5264","0.0015","90","","90","","90","","3633.7","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 O10 V2 -","- C36 H44 N2 O10 V2 -","- C144 H176 N8 O40 V8 -","4","0.5","","Glenister, Mollie A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Canaj, Angelos B.; Brechin, Euan K.; Redshaw, Carl","Reaction of Ph<sub>2</sub>C(X)(CO<sub>2</sub>H) (X = OH, NH<sub>2</sub>) with [VO(OR)<sub>3</sub>] (R = Et, <i>n</i>Pr): structure, magnetic susceptibility and ROP capability.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5351","5355","10.1039/d4dt00078a","","","0.71073","MoKα","","0.0511","0.0412","","","0.1041","0.1094","","","","","","1.055","","","","has coordinates","290979","2024-04-04","23:35:54",""
"7715276","17.4523","0.0005","18.7939","0.0004","20.0698","0.0006","90","","90","","90","","6582.8","0.3","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C39 H38 Cl2 N2 O3 Ru -","- C39 H38 Cl2 N2 O3 Ru -","- C312 H304 Cl16 N16 O24 Ru8 -","8","1","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","","0.0267","0.0244","","","0.0645","0.0659","","","","","","1.064","","","","has coordinates","290985","2024-04-04","23:38:50",""
"7715278","18.6545","0.0012","16.0577","0.0013","23.8797","0.0016","90","","90","","90","","7153.1","0.9","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C41 H45 Cl4 N O Ru -","- C41 H45 Cl4 N O Ru -","- C328 H360 Cl32 N8 O8 Ru8 -","8","1","","Talcik, Jakub; Serrato, Melinda R.; Del Vecchio, Antonio; Colombel-Rouen, Sophie; Morvan, Jennifer; Roisnel, Thierry; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy; Mauduit, Marc","Cyclic (amino)(barrelene)carbene Ru-complexes: synthesis and reactivity in olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5346","5350","10.1039/d4dt00102h","","x-ray","0.71073","MoKα","","0.1394","0.0576","","","0.1029","0.1307","","","","","","0.991","","","","has coordinates","290985","2024-04-04","23:38:50",""
"7715288","19.4572","0.0003","24.5273","0.0003","20.2217","0.0004","90","","90","","90","","9650.5","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H50 Cu F6 N2 O P3 -","- C53 H50 Cu F6 N2 O P3 -","- C424 H400 Cu8 F48 N16 O8 P24 -","8","1","","Meyer, Marco; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Introducing sterically demanding substituents and π-π-interactions into [Cu(P^P)(N^N)]<sup>+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5453","5465","10.1039/d4dt00276h","","x-ray","1.54186","CuKα","","0.0643","0.0574","","","0.1506","0.1643","","","","","","1.085","","","","has coordinates","290981","2024-04-04","23:37:59",""
"7715365","19.726","0.0019","19.9703","0.0019","15.5564","0.0015","90","","90","","90","","6128.2","1","150.15","","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H34 F9 N4 O4 Yb -","- C25 H34 F9 N4 O4 Yb -","- C200 H272 F72 N32 O32 Yb8 -","8","1","","Zgrabik, Joshua C.; Bhuniya, Balaka; Branstad Phillips, Thomas; Barroso, Jorge; Vlaisavljevich, Bess; Daly, Scott R.","Volatile lanthanide complexes with fluorinated heptadentate ligands.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","2998","3009","10.1039/d3dt04198k","","","0.71073","MoKα","","0.0447","0.0379","","","0.0848","0.0881","","","","","","1.186","","","","has coordinates","290060","2024-03-04","06:37:05",""
"7715391","12.3946","0.0002","16.3096","0.0002","33.9295","0.0005","90","","90","","90","","6858.88","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H25 Ga N2 -","- C18 H25 Ga N2 -","- C288 H400 Ga16 N32 -","16","2","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0518","0.0384","","","0.0941","0.1007","","","","","","1.021","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715485","13.3382","0.0001","17.8016","0.0001","17.8489","0.0001","90","","90","","90","","4238.07","0.05","150.3","0.5","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H31 Au B10 N2 -","- C13 H31 Au B10 N2 -","- C104 H248 Au8 B80 N16 -","8","1","","Hill, Michael; Pearce, Kyle G.; Morris, Louis; Robinson, Thomas; Johnson, Andrew Lee; Mahon, Mary F.","From Alkaline Earth to Coinage Metal Carboranyls","Dalton Transactions","2024","","","","","10.1039/D4DT00478G","","","1.54184","CuKα","","0.0208","0.0208","","","0.0541","0.0541","","","","","","1.296","","","","has coordinates","290588","2024-03-22","00:02:40",""
"7715486","17.6117","0.0001","13.295","0.0001","17.8699","0.0001","90","","90","","90","","4184.19","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H31 B10 Cu N2 -","- C13 H31 B10 Cu N2 -","- C104 H248 B80 Cu8 N16 -","8","1","","Hill, Michael; Pearce, Kyle G.; Morris, Louis; Robinson, Thomas; Johnson, Andrew Lee; Mahon, Mary F.","From Alkaline Earth to Coinage Metal Carboranyls","Dalton Transactions","2024","","","","","10.1039/D4DT00478G","","","1.54184","CuKα","","0.0288","0.0283","","","0.0805","0.0809","","","","","","1.069","","","","has coordinates","290588","2024-03-22","00:02:40",""
"7715521","19.8904","0.0003","17.0117","0.0003","23.7088","0.0003","90","","90","","90","","8022.3","0.2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H48 Cu4 Fe6 N12 O18 S2 -","- C78 H48 Cu4 Fe6 N12 O18 S2 -","- C312 H192 Cu16 Fe24 N48 O72 S8 -","4","0.5","","Hsu, Ming-Chi; Lin, Ru Yan; Sun, Tzu-Yen; Huang, Yu-Xin; Li, Min-Sian; Li, Yu-Huei; Chen, Hui-Lung; Shieh, Minghuey","Inorganic−organic-hybrid Cu−dipyridyl semiconducting polymers based on redox-active cluster [SFe3(CO)9]2−: filling the gap in iron carbonyl chalcogenide polymers","Dalton Transactions","2024","","","","","10.1039/D4DT00254G","","","0.71073","MoKα","","0.0511","0.0299","","","0.0639","0.0714","","","","","","1.014","","","","has coordinates","290657","2024-03-27","00:08:05",""
"7715525","7.349","0.0004","11.7365","0.0006","15.2447","0.0008","90","","90","","90","","1314.88","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H7 F3 N O2 P -","- C2 H7 F3 N O2 P -","- C16 H56 F24 N8 O16 P8 -","8","1","","Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr","Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging","Dalton Transactions","2024","","","","","10.1039/D4DT00507D","","","1.54178","CuKα","","0.0259","0.0259","","","0.0759","0.0759","","","","","","1.101","","","","has coordinates","290659","2024-03-27","00:10:01",""
"7715648","13.7527","0.0002","21.6279","0.0004","34.0256","0.0005","90","","90","","90","","10120.6","0.3","173.01","0.1","173.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H70 Li2 Ni O6 -","- C60 H70 Li2 Ni O6 -","- C480 H560 Li16 Ni8 O48 -","8","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights","Dalton Transactions","2024","","","","","10.1039/D4DT00889H","","x-ray","0.71073","MoKα","","0.073","0.046","","","0.1154","0.1276","","","","","","1.034","","","","has coordinates,has disorder","290766","2024-04-03","22:58:38",""
"7715661","13.3353","0.0003","18.175","0.0004","26.2092","0.0006","90","","90","","90","","6352.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H32 N6 Zn -","- C38 H32 N6 Zn -","- C304 H256 N48 Zn8 -","8","1","","Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien","Tunable Zinc Benzamidinate Complexes: Coordination Modes and Catalytic Activity in the Ring-Opening Polymerization of L-lactide","Dalton Transactions","2024","","","","","10.1039/D4DT00188E","","","0.71073","MoKα","","0.0433","0.0276","","","0.0738","0.0779","","","","","","1.034","","","","has coordinates","290768","2024-04-03","22:59:52",""
"7715676","22.657","0.004","25.548","0.004","29.827","0.006","90","","90","","90","","17265","5","100","2","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C79 H85 Au2 Cl6 F12 O4 P4 Sb2 -","- C79 H85 Au2 Cl6 F12 O4 P4 Sb2 -","- C632 H680 Au16 Cl48 F96 O32 P32 Sb16 -","8","1","","Ghosh, Moushakhi; Parvin, Nasrina; PANWARIA, PRAKASH; Tothadi, Srinu; Bakthavatsalam, Rangarajan; Therambram, Arshad; Khan, Shabana","Diverse Structural Reactivity Pattern of a POCOP Ligand with Coinage Metals","Dalton Transactions","2024","","","","","10.1039/D3DT03921H","","","0.71073","MoKα","","0.1324","0.063","","","0.0945","0.1127","","","","","","1.049","","","","has coordinates","290865","2024-04-04","22:57:29",""
"7715743","15.5808","0.0012","16.7471","0.0013","21.2634","0.0018","90","","90","","90","","5548.3","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Al N P S -","- C29 H37 Al N P S -","- C232 H296 Al8 N8 P8 S8 -","8","1","","George, Tanner; Masuda, Jason Douglas","Contrasting a Series of Bidentate Amido Phosphine Oxide, Sulfide, or Selenide Ligands and Complexes of Dimethyl Aluminum and Indium","Dalton Transactions","2024","","","","","10.1039/D4DT00662C","","","0.71073","MoKα","","0.0614","0.0383","","","0.0819","0.0982","","","","","","1.123","","","","has coordinates","291239","2024-04-16","23:06:29",""
"7715745","15.4976","0.0003","16.8142","0.0004","21.3983","0.0004","90","","90","","90","","5576","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Al N P Se -","- C29 H37 Al N P Se -","- C232 H296 Al8 N8 P8 Se8 -","8","1","","George, Tanner; Masuda, Jason Douglas","Contrasting a Series of Bidentate Amido Phosphine Oxide, Sulfide, or Selenide Ligands and Complexes of Dimethyl Aluminum and Indium","Dalton Transactions","2024","","","","","10.1039/D4DT00662C","","","0.71073","MoKα","","0.0398","0.0289","","","0.067","0.071","","","","","","1.033","","","","has coordinates","291239","2024-04-16","23:06:29",""
"7715747","15.6585","0.0002","16.9162","0.0002","21.4668","0.0004","90","","90","","90","","5686.18","0.14","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 In N P Se -","- C29 H37 In N P Se -","- C232 H296 In8 N8 P8 Se8 -","8","1","","George, Tanner; Masuda, Jason Douglas","Contrasting a Series of Bidentate Amido Phosphine Oxide, Sulfide, or Selenide Ligands and Complexes of Dimethyl Aluminum and Indium","Dalton Transactions","2024","","","","","10.1039/D4DT00662C","","","0.71073","MoKα","","0.0165","0.015","","","0.0375","0.0383","","","","","","1.019","","","","has coordinates","291239","2024-04-16","23:06:29",""
"7715748","15.744","0.0007","16.8069","0.0006","21.3702","0.001","90","","90","","90","","5654.7","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 In N P S -","- C29 H37 In N P S -","- C232 H296 In8 N8 P8 S8 -","8","1","","George, Tanner; Masuda, Jason Douglas","Contrasting a Series of Bidentate Amido Phosphine Oxide, Sulfide, or Selenide Ligands and Complexes of Dimethyl Aluminum and Indium","Dalton Transactions","2024","","","","","10.1039/D4DT00662C","","","0.71073","MoKα","","0.0392","0.0255","","","0.0528","0.0623","","","","","","1.133","","","","has coordinates","291239","2024-04-16","23:06:29",""
"7715779","11.8738","0.0004","13.8926","0.0004","23.7305","0.0008","90","","90","","90","","3914.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 B N -","- C22 H32 B N -","- C176 H256 B8 N8 -","8","1","","Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg; Lamm, Jan-Hendrik; Mitzel, Norbert Werner","Bidentate Boron Lewis Acids: Synthesis by Tin Boron Exchange Reaction and Host-Guest Complex Formation","Dalton Transactions","2024","","","","","10.1039/D4DT00782D","","x-ray","0.71073","MoKα","","0.0713","0.0521","","","0.133","0.1443","","","","","","1.038","","","","has coordinates","291268","2024-04-17","22:57:42",""
"7715791","10.6947","0.0008","22.085","0.0016","40.285","0.003","90","","90","","90","","9515","1.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Cl13 N4 Pd4 S4 -","- C31 H35 Cl13 N4 Pd4 S4 -","- C248 H280 Cl104 N32 Pd32 S32 -","8","1","","Vila, Jose M.; Reigosa, Francisco; Pereira, M. Teresa; Polo, Paula M.","Reactivity of Schiff base-[C,N,S] pincer palladacycles: hydrolysis renders singular trinuclear, tetranuclear, and heteropentanuclear Pd3W2 coordinated complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00756E","","","0.71073","MoKα","","0.0832","0.0727","","","0.1326","0.1378","","","","","","1.0448","","","","has coordinates,has disorder","291298","2024-04-19","23:49:35",""
"8000005","12.734","0.003","15.289","0.003","21.844","0.004","90","","90","","90","","4253","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H29 Cl Fe N8 O4 -","- C18 H29 Cl Fe N8 O4 -","- C144 H232 Cl8 Fe8 N64 O32 -","8","1","","Nicolas Bréfuel; Sergiu Shova; Jean-Pierre Tuchagues; Naohide Matsumoto","An Abrupt Spin Crossover FeII Complex Based on Homochiral Chain","Chemistry Letters","2005","34","8","1092","","10.1246/cl.2005.1092","","","0.71073","MoKα","","0.0593","0.0465","","","0.1132","0.1188","","","","","","1.01","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8000006","13.306","0.003","15.655","0.003","21.288","0.004","90","","90","","90","","4434.4","1.5","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H29 Cl Fe N8 O4 -","- C18 H29 Cl Fe N8 O4 -","- C144 H232 Cl8 Fe8 N64 O32 -","8","1","","Nicolas Bréfuel; Sergiu Shova; Jean-Pierre Tuchagues; Naohide Matsumoto","An Abrupt Spin Crossover FeII Complex Based on Homochiral Chain","Chemistry Letters","2005","34","8","1092","","10.1246/cl.2005.1092","","","0.71073","MoKα","","0.0983","0.0431","","","0.0717","0.0879","","","","","","0.997","","","","has coordinates,has disorder","277875","2022-09-15","11:59:40",""
"8000007","23.109","0.001","26.16","0.001","36.85","0.001","90","","90","","90","","22276","1","223.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C114 H88 Co5 O19 -","- C114 H88 Co5 O19 -","- C912 H704 Co40 O152 -","8","1","","Ho-Chol Chang; Nao Nishida; Susumu Kitagawa","Formation of a Ligand-based Mixed-valence Cluster Triggered by Dehydration Condensation of Semiquinonates with o-Phenylenediamines","Chemistry Letters","2005","34","3","402","","10.1246/cl.2005.402","","","0.7107","MoKα","","","0.104","","","","0.2654","","","","","","2.08","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000094","13.96","0.006","18.284","0.008","22.604","0.01","90","","90","","90","","5770","4","193.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H31 B N6 O Ru -","- C32 H31 B N6 O Ru -","- C256 H248 B8 N48 O8 Ru8 -","8","1","","Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao","Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue","Chemistry Letters","2006","35","11","1224","","10.1246/cl.2006.1224","","","0.7107","MoKα","","","0.059","","","","0.215","","","","","","1.006","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000393","33.383","0.0009","38.6374","0.0011","39.1118","0.001","90","","90","","90","","50448","2","161","","161","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C216 H180 Au Cu24 P12 -","- C216 H180 Au Cu24 P12 -","- C1728 H1440 Au8 Cu192 P96 -","8","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1036","0.0534","","","0.1259","0.1428","","","","","","0.97","","","","has coordinates","236670","2020-10-21","18:00:00",""
"8000395","7.8696","0.0003","7.664","0.0002","22.6439","0.0007","90","","90","","90","","1365.71","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br4 Cd F4 N2 -","- C4 H12 Br4 Cd F4 N2 -","- C16 H48 Br16 Cd4 F16 N8 -","4","0.5","","Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.","Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.","The journal of physical chemistry letters","2020","11","1","199","205","10.1021/acs.jpclett.9b03213","","x-ray","1.54184","CuKα","","0.0383","0.0373","","","0.1067","0.108","","","","","","1.092","","","","has coordinates","246583","2020-10-21","18:00:00",""
"8000436","8.4897","0.0006","10.6452","0.0006","30.8917","0.0019","90","","90","","90","","2791.8","0.3","100","2","100.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C136 H128 F8 N8 O16 -","8","1","","Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu","Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media.","The journal of physical chemistry letters","2020","","","5433","5438","10.1021/acs.jpclett.0c01545","","","0.71073","MoKα","","0.0672","0.0541","","","0.1375","0.1457","","","","","","1.063","","","","has coordinates","253500","2020-10-21","18:00:00",""
"8000458","11.3576","0.001","8.0121","0.0006","67.179","0.006","90","","90","","90","","6113.2","0.9","100","2","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cl2 N6 O2 -","- C32 H32 Cl2 N6 O2 -","- C256 H256 Cl16 N48 O16 -","8","1","","Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu","Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence","The Journal of Physical Chemistry Letters","2020","","","9178","9183","10.1021/acs.jpclett.0c02623","","","0.71073","MoKα","","0.0839","0.079","","","0.1588","0.1607","","","","","","1.246","","","","has coordinates","258433","2020-10-21","18:00:00",""
"8100005","11.3252","0.0018","7.9588","0.0011","16.664","0.003","90","","90","","90","","1502","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 Ni O6 -","- C14 H14 Co N2 O6 -","- C56 H56 Co4 N8 O24 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyridine)-μ~2~-squarato(1,3)- cobalt(II), Co(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","29","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100010","7.9823","0.0011","12.0284","0.0015","15.721","0.0017","90","","90","","90","","1509.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O6 Zn -","- C14 H14 N2 O6 Zn -","- C56 H56 N8 O24 Zn4 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyridine)-μ~2~-squarato(1,3)- zinc(II), Zn(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","31","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100023","15.9227","0.0006","16.6085","0.0005","39.822","0.002","90","","90","","90","","10531.1","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N3 O3 P S -","- C30 H24 N3 O3 P S -","- C480 H384 N48 O48 P16 S16 -","16","2","","Biesemeier, Frank; Harms, Klaus; Müller, Ulrich","Crystal structure of tetraphenylphosphonium 4-azido-benzenesulfonate, P(C~6~H~5~)~4~[N~3~C~6~H~4~SO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","41","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100034","7.8226","0.0016","16.812","0.003","17.299","0.003","90","","90","","90","","2275.1","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","thallium-pentabromopalladate","","","- Br5 Pd Tl3 -","- Br5 Pd Tl3 -","- Br40 Pd8 Tl24 -","8","1","","Heines, Peter; Duchâteau, Manfred; Keller, Hans-Lothar","Crystal structure of trithallium-pentabromopalladate(II), Tl~3~PdBr~5~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","1","7","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100037","17.4185","0.0015","10.6391","0.0009","17.4453","0.0015","90","","90","","90","","3232.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","gymnorrhizol","","","- C9 H18 O3 S6 -","- C9 H18 O3 S6 -","- C72 H144 O24 S48 -","8","1","","Sun, Yan-Qiu; Zahn, Gernot; Guo, Yue-Wei","Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane-4,9,14- triol, C~9~H~18~O~3~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","121","123","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100040","11.89","0.003","7.9087","0.0015","14.664","0.004","90","","90","","90","","1378.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N4 Ni O6 -","- C10 H12 N4 Ni O6 -","- C40 H48 N16 Ni4 O24 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyrazole)-μ~2~-squarato(1,3) nickel(II), Ni(C~4~O~4~)(C~3~H~4~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","135","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100069","7.79","0.003","24.645","0.004","9.867","0.002","90","","90","","90","","1894","1","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 N O4 P -","- C7 H12 N O4 P -","- C56 H96 N8 O32 P8 -","8","1","","Smirani, Wajda; Ben Slimane, Amel; Rzaigui, Mohamed","Crystal structure of 4-methylanilinium dihydrogenphosphate, (p-CH~3~C~6~H~4~NH~3~)(H~2~PO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","189","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100075","11.422","0.002","11.475","0.002","13.582","0.002","90","","90","","90","","1780.2","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl(2-aminoethanethiolato)tin(IV)","","","- C4 H12 Cl N S Sn -","- C4 H12 Cl N S Sn -","- C32 H96 Cl8 N8 S8 Sn8 -","8","1","","Couce, Maria D.; Faraglia, Giuseppina; Russo, Umberto; Graziani, Rodolfo; Valle, Giovanni","Crystal structure of chlorodimethyl(2-aminoethanethiolato)tin(IV), (NH~2~CH~2~CH~2~S)SnCl(CH~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","195","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100117","10.871","0.003","7.564","0.002","29.083","0.009","90","","90","","90","","2391.6","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","","Li, Xia; Zou, Ying-Quan","Crystal structure of 1-(2-furyl)-3-(p-methoxyphenyl)-1,3-propanedione, C~14~H~12~O~4~, the enol form","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","281","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100121","9.8365","0.0006","12.0017","0.0005","23.9197","0.0013","90","","90","","90","","2823.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O6 -","- C13 H16 N2 O6 -","- C104 H128 N16 O48 -","8","1","","Frey, Wolfgang; Lee, Ja Young; Jäger, Volker","Crystal structure of diethyl rel-(3aR,3bR,6aS,7aR)-3b,6a,7,7a-tetrahydro- 3aH-cyclopenta-[1,2-d:3,4-d']-diisoxazole-3,6-dicarboxylate, C~13~H~16~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","289","290","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100141","14.922","0.002","8.605","0.009","15.308","0.009","90","","90","","90","","1966","2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 F2 N2 -","- C11 H8 F2 N2 -","- C88 H64 F16 N16 -","8","1","","Polamo, Mika; Talja, Markku","Crystal structure of 2-(2,6-difluorophenylamino)pyridine, C~11~H~8~F~2~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","317","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100176","5.5515","0.0011","11.017","0.002","13.597","0.003","90","","90","","90","","831.6","0.3","120","1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H3 F2 N -","- C4 H3 F2 N -","- C32 H24 F16 N8 -","8","1","","Leroy, Jacques; Bondon, Arnaud; Toupet, Loic; Meerschaut, Alain","Crystal structure of 3,4-difluoro-1H-pyrrole, C~4~H~3~F~2~N","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","389","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100195","10.592","0.003","11.877","0.003","36.833","0.009","90","","90","","90","","4634","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C192 H240 O72 -","24","3","","Peters, K.; Peters, E.-M.; Linker, T.","Crystal structure of (1R,3S,5R)-3-hydroxy-2-methylene-6-oxa-bicyclo [3.2.1.]octan-7-one, C~8~H~10~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","459","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100205","17.354","0.004","8.8651","0.0018","24.388","0.005","90","","90","","90","","3752.1","1.3","193","2","566","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C160 H136 N8 O32 S8 -","8","1","","Itoh, Kuniaki; Iwata, Shine","Crystal structure of 3-cyano-3-phenylsulfonyl-2-methoxycarbonylethene- 1-phenylcyclopropane, C~20~H~17~NO~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","455","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100348","10.9923","0.0013","7.7056","0.001","41.77","0.005","90","","90","","90","","3538","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cu2 O12 -","- C36 H36 Cu2 O12 -","- C144 H144 Cu8 O48 -","4","0.5","","Zhu, Hai-Liang; Meng, Fan-Jin; Liu, Qiong-Xin; Fun, Hoong-Kun","Crystal structure of bis(diaqua-dicinnamatocopper(II)), C~36~H~36~Cu~2~O~12~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100364","10.19753","0.00001","9.56517","0.00001","11.16753","0.00002","90","","90","","90","","1089.29","0.04","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Sr3 Cr N4","","","- Cr N4 Sr3 -","- Cr N4 Sr3 -","- Cr8 N32 Sr24 -","8","1","","Niewa, R.; Zherebtsov, D. A.; Höhn, P.","Crystal structure of tristrontium tetranitridochromate(VI), Sr~3~[CrN~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","163","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100452","12.1705","0.0009","7.4205","0.0017","22.7584","0.0005","90","","90","","90","","2055.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H10 N4 O2 S -","- C7 H10 N4 O2 S -","- C56 H80 N32 O16 S8 -","8","1","","Wu, Wen-shi; Feng, Yun-Long","Crystal structure of (2-picoloylcarbonyl)thiosemicarbazone, C~7~H~10~N~4~O~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","527","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100467","7.9143","0.0012","12.02","0.002","15.718","0.003","90","","90","","90","","1495.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 Ni O6 -","- C14 H14 N2 Ni O6 -","- C56 H56 N8 Ni4 O24 -","4","0.5","","Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel","Crystal structure of diaqua-bis(pyridine)-m2-squarato(1,3)nickel(II), Ni(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","541","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100610","19.87","0.004","16.78","0.02","10.52","0.006","90","","90","","90","","3507","4","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O -","- C24 H18 O -","- C192 H144 O8 -","8","1","","Amarasekara, A. S.; Russell, R. A.; Warrener, R. N.; Tiekink, E. R. T.","Crystal structure of (1α,8α,9β,12β)-1,8-diphenyl- 13-oxatetracyclo-[6.4.1.0^2,7^.0^9,12^]trideca-2,4,6,10-tetraene, C~24~H~18~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","213","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100628","11.1037","0.0015","12.4238","0.0016","19.332","0.003","90","","90","","90","","2666.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Mo2 N2 O6 S2 -","- C24 H20 Mo2 N2 O6 S2 -","- C96 H80 Mo8 N8 O24 S8 -","4","0.5","","Walters, M. A.; Sireci, A.; Incarvito, Ch. D.; Rheingold, A. L.","Crystal structure of bis(acetonitrile)bis[μ-(benzylthiolato)] hexacarbonyl-di(molybdenum), [Mo(CO)~3~(SCH~2~C~6~H~5~)(CH~3~CN)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","271","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100719","8.527","0.0017","10.986","0.002","16.328","0.003","90","","90","","90","","1529.6","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H10 Ca O6 S -","- C2 H10 Ca O6 S -","- C16 H80 Ca8 O48 S8 -","8","1","","Guillaume, Bruno; Cendrowski-Guillaume, Sophie; Nierlich, Martine","Crystal structure of tetra(aqua)(μ-2-mercaptoacetato-S,O,O)calcium, Ca(SCH~2~COO)(H~2~O)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","441","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100757","13.517","0.002","7.34","0.002","29.033","0.002","90","","90","","90","","2880.5","0.8","93.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C168 H112 N16 O16 -","8","1","","Mizuguchi, Jin; Senju, Takatoshi","Crystal structure of 5,12-dihydro-5-methylquino[2,3-b]acridine-7,14-dione, C~21~H~14~N~2~O~2~, at 93 K","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","523","524","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100792","8.856","0.001","18.318","0.003","21.918","0.005","90","","90","","90","","3555.6","1.1","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Co N2 O10 S -","- C12 H20 Co N2 O10 S -","- C96 H160 Co8 N16 O80 S8 -","8","1","","Zhu, Hai-Liang; Pan, Yong-Jun; Wang, Xian-Jiang; Yu, Kai-Bei","Crystal structure of tetraaqua(o-phenanthroline)cobalt(II) sulfate dihydrate, [C~12~H~8~N~2 ~)Co(H~2~O)~4~]SO~4~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","601","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100815","13.194","0.003","25.878","0.005","15.881","0.003","90","","90","","90","","5422.3","1.9","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- As7 Rb3 -","- As7 Rb3 -","- As112 Rb48 -","16","2","","Hönle, Wolfgang; Buresch, Juta; Wolf, Juliane; Peters, Karl; Chang, Jen-Hui; von Schnering, Hans Georg","Crystal structure of the low-temperature modification of trirubidium heptaarsenide, LT-Rb~3~As~7~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","103378","2020-10-21","18:00:00",""
"8100819","12.466","0.003","22.489","0.004","12.592","0.002","90","","90","","90","","3530.1","1.2","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- As7 Li3 -","- As7 Li3 -","- As112 Li48 -","16","2","","Hönle, Wolfgang; Buresch, Juta; Peters, Karl; Chang, Jen-Hui; von Schnering, Hans Georg","Crystal structure of the low-temperature modification of trilithium heptaarsenide, LT-Li~3~As~7~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","485","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100821","13.33","0.002","26.042","0.003","15.983","0.003","90","","90","","90","","5548","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- As2.5 K3 Sb4.5 -","- As2.65 K3 Sb4.35 -","- As42.4 K48 Sb69.6 -","16","2","","Hönle, Wolfgang; Buresch, Juta; Peters, Karl; Chang, Jen-Hui; von Schnering, Hans Georg","Crystal structure of tripotassium heptapentelides K~3~[As~x~Sb~1-x~]~7~ with x = 5/14 and x = 13/14","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","491","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"8100822","13.102","0.005","25.737","0.009","15.199","0.006","90","","90","","90","","5125","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- As6.6 K3 Sb0.4 -","- As6.59 K3 Sb0.41 -","- As105.44 K48 Sb6.56 -","16","2","","Hönle, Wolfgang; Buresch, Juta; Peters, Karl; Chang, Jen-Hui; von Schnering, Hans Georg","Crystal structure of tripotassium heptapentelides K~3~[As~x~Sb~1-x~] ~7~ with x = 5/14 and x = 13/14","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","491","493","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100830","11.908","0.0009","11.9649","0.0009","30.1603","0.0002","90","","90","","90","","4296.6","0.6","295","","295","","","","","","","","","3","P b c a","","61","","","","- C27 H26 S -","- C27 H26 S -","- C216 H208 S8 -","8","1","","Rahmani, Hossein; Taeb, Abbas; Tadjarodi, Azadeh; Pirelahi, Hooshang","Crystal structure of 4-ethyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~27~H~26~S and of 4-tert-butyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~29~H~30~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","47","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","103177","2020-10-21","18:00:00",""
"8100863","21.94","0.014","12.254","0.004","11.411","0.003","90","","90","","90","","3068","2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","1","","Irngartinger, Hermann; Oeser, Thomas; Dábrowski, Janusz","Crystal structure of 3-(3-oxo-3-naphthyl-propenylamino)-1-naphthyl- prop-2-en-1-one, C~26~H~19~NO~2 ~and of 1-{(4,4-dimethyl)3-oxopent- 1-enylamino}-4,4-dimethyl-pent-1-en-3-one, C~14~H~23~NO~2~, two bisacylvinylamines with bifurcated hydrogen bonding","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","126","128","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8100883","12.159","0.002","10.661","0.002","14.813","0.002","90","","90","","90","","1920.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C56 H56 N24 O48 -","8","1","","Frey, Wolfgang; Kantlehner, Willi; Ziegler, Georg; Scherr, Oliver","Crystal structure of tris(diformylamino)methane, C~7~H~7~N~3~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","97","98","","","","","","","","0.0427","","","0.1068","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100886","14.496","0.002","13.338","0.002","14.722","0.002","90","","90","","90","","2846.3","0.5","296.2","","296.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Br N2 O3 Re -","- C10 H18 Br N2 O3 Re -","- C80 H144 Br8 N16 O24 Re8 -","8","1","","Horn, E.; Onai, S.","Crystal structure of aquo-(N,N,N',N'-1,1,4,4-tetramethylethenediamine)- tricarbonyl-manganese(I) tetrafluoroborate, [(H~2~O)(CO)~3~(C~6~H~16~N~2~)Mn](BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","73","76","10.1524/ncrs.2001.216.14.73","","","","","","","0.0419","","","0.0504","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8100905","14.4557","0.0016","5.8975","0.0006","4.9371","0.0005","90","","90","","90","","420.9","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Hg O6 V2 -","- Hg O6 V2 -","- Hg4 O24 V8 -","4","0.5","","Mormann, Thomas J.; Jeitschko, Wolfgang","Redetermination of the crystal structure of high-temperature modification of the mercury(II) hexaoxodivanadate(V), β-HgV~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100972","23.517","0.003","25.616","0.003","11.769","0.002","90","","90","","90","","7090","2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 Cl P2 Pt -","- C42 H35 Cl P2 Pt -","- C336 H280 Cl8 P16 Pt8 -","8","1","","Crisp, M. G.; Rendina, L. M.; Tiekink, E.R.T.","Refinement of the crystal structure of trans-chloro-phenyl-bis (triphenylphosphine)platinum(II) at 173 K, C~42~H~35~ClP~2~Pt","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","249","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100993","8.877","0.002","18.509","0.001","22.087","0.002","90","","90","","90","","3629","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","","Zheng, Yue-Qing; Lin, Jian-Li","Crystal structure of tetraaqua-(1,10-phenanthroline-N,N')manganese(II) sulfate dihydrate, [Mn(H~2~O)~4~(phen)]SO~4~ · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","353","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100997","13.8","0.004","20.598","0.009","22.405","0.005","90","","90","","90","","6368.7","3.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H46 O4 Si4 -","- C26 H46 O4 Si4 -","- C208 H368 O32 Si32 -","8","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe; Portella, Charles","Crystal structure of 1S*,7S*-bis(trimethylsilylcarbonyl)-2S*,6S*-dihydroxy- 2S*,6S*-bis(trimethylsilyl)-1,2,3,5,6,7hexahydro-s-indacene, C~26~H~46~O~4~Si~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","363","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101035","19.522","0.008","21.932","0.004","10.45","0.002","90","","90","","90","","4474","2","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Hg N3 S2 -","- C21 H26 Cl Hg N3 S2 -","- C168 H208 Cl8 Hg8 N24 S16 -","8","1","","Tiekink, E. R. T.","Crystal structure of the 1,10-phenanthroline adduct of chloro-(di- n-butyldithiocarbamato)mercury(II), C~21~H~26~ClHgN~3~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","439","440","10.1524/ncrs.2001.216.14.461","","","","","","","","","","","","","","","","","","","","","has coordinates","134159","2020-10-21","18:00:00",""
"8101053","12.158","0.004","13.915","0.004","24.747","0.005","90","","90","","90","","4186.7","2.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 Mn N2 O8 -","- C20 H23 Mn N2 O8 -","- C160 H184 Mn8 N16 O64 -","8","1","","Pauly, J.; Winter, M.; Hegetschweiler, K.; Hazenkamp, M. F.; Bachmann, F.; Dannacher, J.","Crystal structure of acetato-aqua-[N,N'-bis(4-methoxy-salicylidene) ethane-1,2-diaminato]-manganese(III) hydrate, C~20~H~23~MnN~2~O~7~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","477","478","","","","","","","","0.0566","","","0.1128","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8101058","9.126","0.002","9.001","0.002","13.543","0.003","90","","90","","90","","1112.5","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Li2 Ni O8 S2 -","- Li2 Ni O8 S2 -","- Li16 Ni8 O64 S16 -","8","1","","Isasi, Josefa; Jaulmes, Sylvie","Crystal structure of dilithium nickel disulfate, Li~2~Ni(SO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","331","332","","","","","","","","0.0362","","","0.0827","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101080","21.78","0.02","12.58","0.01","9.694","0.005","90","","90","","90","","2655","3","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of 2-(2-hydroxy-1-naphthyl)-1-phenyl-1-ethanone, C~18~H~14~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","541","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101133","16.561","0.003","15.434","0.004","13.578","0.003","90","","90","","90","","3470","2","20","","20","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Hu, M.-L.; Jin, Z.-M.; Miao, Q.; Fang, L.-P.","Crystal structure of tris(acetylacetonato)iron(III), C~15~H~21~O~6~Fe, at 20 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","597","598","","","","","","","","0.053","","","0.059","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101186","9.221","0.0011","9.877","0.0006","20.783","0.002","90","","90","","90","","1892.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","guanidinium salicilate","","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C64 H88 N24 O24 -","8","1","","Fleck, Michel; Tillmanns, Ekkehart; Haussühl, Siegfried","Crystal structure of guanidinium salicilate, C(NH~2~)~3~C~7~H~5~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","105","106","","","","","","","","0.0411","","","0.1047","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101247","10.615","0.005","14.257","0.002","16.509","0.002","90","","90","","90","","2498.4","1.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O4 -","- C16 H12 O4 -","- C128 H96 O32 -","8","1","","Shoja, M.; Krikava, A","Crystal structure of 8-hydroxy-7-methoxyflavone, C~16~H~12~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","271","272","","","","","","","","0.091","","","0.097","","","","","","","","","","","has coordinates","206173","2020-10-21","18:00:00",""
"8101253","15.957","0.003","7.958","0.002","26.041","0.005","90","","90","","90","","3307","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3aS^*^.4S^*^7aR^*^-4-Ethoxy-3a,7a-dihydro-3,7-diphenyl-4H-1,5-dioxa-2,6-diaza- indene","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Schmidt, E.; Reißig, H.-U.; Rademacher, O.","Crystal structure of 3a<i>S</i>*,4<i>S</i>*,7a<i>R</i>*-4-ethoxy-3a, 7a-dihydro-3,7-diphenyl-4<i>H</i>-1,5-dioxa-2,6-diaza-indene, C~19~H~18~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","283","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101297","11.4595","0.0016","8.4396","0.0005","26.2962","0.0019","90","","90","","90","","2543.2","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BrCH\δbC(TeBrClPh)(CH2OH)","","","- C9 H9 Br2 Cl O Te -","- C9 H9 Br2 Cl O Te -","- C72 H72 Br16 Cl8 O8 Te8 -","8","1","","Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Dorneles, Luciano","Crystal structure of (2E)-3-bromo-2-[bromo(chloro)phenyl-λ^4 ^-tellanyl]-2-propen-1-ol, BrCH=C(TeBrClPh)(CH~2~OH)","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","459","460","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8101299","8.568","0.002","10.741","0.002","18.287","0.004","90","","90","","90","","1682.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Ba2 Mn2 O9 Si2 -","- Ba2 Mn2 O9 Si2 -","- Ba16 Mn16 O72 Si16 -","8","1","","Kaiser, Joachim W.; Jeitschko, Wolfgang","Crystal structure of dibarium dimanganese disilicium nonaoxide Ba~2~Mn~2~Si~2~O~9~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","313","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101322","8.7643","0.0001","10.3305","0.0002","36.0581","0.0001","90","","90","","90","","3264.69","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 S3 -","- C16 H14 N2 S3 -","- C128 H112 N16 S24 -","8","1","","Tarafder, M. T. H.; Saravanan, N.; Crouse, K. A.; Yamin, Bohari M.; Raj, S. Shanmuga Sundara; Razak, I. A.; Fun, Hoong-Kun","Crystal structure of 2,5-di-S-benzyl(1-thia-3,4-diazacyclopenta-2, 5-diene), C~16~H~14~N~2~S~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","485","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101346","8.6733","0.0001","16.936","0.0001","23.7983","0.0001","90","0.01","90","0.01","90","0.01","3495.76","0.08","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C152 H144 I8 N8 O8 -","8","1","","Kakou-Yao, R.; Uncuta, C.; Aycard, J.P.","Crystal structure of N-(4-methyl-6-phenyl-2H-pyran-2-ylidene)-N-methyl benzenaminium iodide, C~19~H~18~INO","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","563","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101350","7.8307","0.0007","12.39","0.0011","15.4824","0.0019","90","","90","","90","","1502.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cu N2 O6 -","- C14 H14 Cu N2 O6 -","- C56 H56 Cu4 N8 O24 -","4","0.5","","Krupicka, Erik; Grünert, Anke; Lentz, Axel","Crystal structure of polymeric diaquabis(pyridine)-μ~2~-squarato (1,3)copper(II), [Cu(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","573","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101356","16.775","0.003","9.539","0.002","23.524","0.005","90","","90","","90","","3764.2","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N O -","- C21 H29 N O -","- C168 H232 N8 O8 -","8","1","","Kaltia, Seppo; Matikainen, Jorma; Hase, Tapio; Mutikainen, Ilpo","Crystal structure of 5-(1-pentyl)-2,3,3aα,4,5,7aα-hexahydroindene- 4α-carboxanilide, C~21~H~29~NO","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","585","586","","","","","","","","0.0915","","","0.2029","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101498","8.565","0.002","9.813","0.002","32.226","0.006","90","","90","","90","","2708.5","1","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 -","- C15 H20 N2 -","- C120 H160 N16 -","8","1","","Mrozek, Agnieszka; Karolak-Wojciechowska, Janina; Yalçin, Ismail; Şener, Esin","Crystal structure of 2[2'-cyclohexyl]ethyl benzimidazole, C15H20N2","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","181","182","","","","","","","","0.0636","","","","","","","","","","","","","","has coordinates","131587","2020-10-21","18:00:00",""
"8101532","11.225","0.002","14.354","0.003","16.926","0.003","90","","90","","90","","2727.2","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H22 Cl Co N4 O5 -","- C7 H22 Cl Co N4 O5 -","- C56 H176 Cl8 Co8 N32 O40 -","8","1","","Düpre, Y.; Bartscherer, E.; Maas, O.; Sander, J.; Hegetschweiler, K.","Crystal structure of carbonato[tris(2-aminoethyl)amine]cobalt(III) chloride dihydrate, [Co(tren)CO~3~]Cl · 2 H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","405","405","","","","","","","","0.038","","","0.0987","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101550","12.501","0.001","11.752","0.001","13.923","0.002","90","","90","","90","","2045.5","0.4","","","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cl10 Cs4 O Ru2 -","- Cl5 Cs2 O0.5 Ru -","- Cl40 Cs16 O4 Ru8 -","8","1","","da Silva, Roberto Santana; Zukerman-Schpector, J.; Tfouni, Elia; Lever, A. B. P.","Crystal structure of cesium μ-oxo-bis[pentachlororuthenate(IV)], Cs~4~[Ru~2~Cl~10~O]","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","303","304","10.1515/ncrs-1999-0304","","","","","","","0.0616","","","0.1915","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8101551","7.427","0.002","7.781","0.002","14.523","0.003","90","","90","","90","","839.3","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","rubidium sulfamate","","","- H2 N O3 Rb S -","- H2 N O3 Rb S -","- H16 N8 O24 Rb8 S8 -","8","1","","Schreuer, Jürgen","Crystal structure of rubidium sulfamate, RbH~2~NSO~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","305","305","","","","","","","","0.0311","","","0.0575","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101571","13.725","0.001","13.261","0.001","18.083","0.002","90","","90","","90","","3291.2","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Li N O4 -","- C16 H22 Li N O4 -","- C128 H176 Li8 N8 O32 -","8","1","","Langlotz, Ira; Marsch, Michael; Harms, Klaus; Boche, Gernot","Crystal structure of (benzylcyano-N)-(1,4,7,10-tetraoxocyclodecane-O,O',O'',O''')-lithium, C~16~H~22~LiNO~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","509","510","10.1515/ncrs-1999-0455","","","","","","","0.0786","","","0.2118","","","","","","","","","","","has coordinates","180614","2020-10-21","18:00:00",""
"8101675","14.775","0.003","5.222","0.001","15.604","0.003","90","","90","","90","","1203.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-di(1-imidazolylbutan) dihydrate","","- C10 H18 N4 O2 -","- C10 H18 N4 O2 -","- C40 H72 N16 O8 -","4","0.5","","M. Królikowska; J. Garbarczyk","Crystal structures of 1,4-di(1-imidazolyl)butane dihydrochloride, (C~10~H~16~N~4~)Cl~2~, and 1,4-di(1-imidazolyl)butane dihydrate, C~10~H~14~N~4~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","103","104","","","","1.54178","CuKα","","0.154","0.0774","","","0.2224","0.3112","","","","","","1.076","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101714","7.2466","0.0006","14.2417","0.0011","14.5062","0.0011","90","","90","","90","","1497.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Lutidine hydrochloride","2,6-dimethylpyridinium hydrochloride","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C56 H80 Cl8 N8 -","8","1","","H. Nuss; J. Nuss; M. Jansen","Crystal structure of 2,6-dimethylpyridinium hydrochloride, (C~7~H~10~N)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","95","96","","","","0.71073","MoKα","","0.0665","0.0489","","","0.1233","0.1366","","","","","","1.08","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101739","12.388","0.002","19.225","0.003","18.534","0.003","90","","90","","90","","4414","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(R,R,R~S~;S,S,S~S~) 4-bromobenzylsulfinylacetic acid N,N-bis-1-(phenylethyl)amide","","- C24 H24 Br N O2 S -","- C24 H24 Br N O2 S -","- C192 H192 Br8 N8 O16 S8 -","8","1","","Jablonska-Pikus, T.; Kosior, J.; Kurys, K.; Koziol, A. E.","Crystal structure of (R,R,R~S~;S,S,S~S~)-4-bromobenzyl-sulfinylacetic acid N,N-bis-1-(phenylethyl)amide, C~24~H~24~BrNO~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","175","176","","","","1.54178","CuKα","","0.1669","0.0538","","","0.0887","0.1147","","","","","","0.97","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101747","11.981","0.002","14.89","0.004","17.239","0.004","90","","90","","90","","3075.4","1.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-chlorophenyl)-2-[(4-nitro phenyl)imino]-1,3-thiazolan-4-one","","- C15 H10 Cl N3 O3 S -","- C15 H10 Cl N3 O3 S -","- C120 H80 Cl8 N24 O24 S8 -","8","1","","F. Matloubi Moghaddam; L. Hojabri","Crystal structure of 3-(4-chlorophenyl)-2-[(4-nitro-phenyl)imino]- 1,3-thiazolan-4-one, C~15~H~10~ClN~3~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","205","206","","","","0.71073","MoKα","","0.0793","0.0532","","","0.1133","0.123","","","","","","1.012","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101771","5.0299","0.001","18.894","0.004","36.178","0.007","90","","90","","90","","3438.2","1.2","100","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","p-methyl-N-(2-phenyl-1H-indol-7-yl)-benzene-sulfonamide","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C168 H144 N16 O16 S8 -","8","1","","X.-H. Huang; Q.-F. Zhang; H. H. Y. Sung","Crystal structures of p-methyl-N-(2-phenyl-1H-indol-7-yl)-benzene- sulfonamide, C~21~H~18~N~2~O~2~S, and p-methoxy-N-(2-phenyl-1H-indol- 7-yl)-benzene-sulfonamide, C~21~H~18~N~2~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","258","260","","","","0.71073","MoKα","","0.073","0.0515","","","0.0942","0.1202","","","","","","0.963","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101830","9.3909","0.0019","10.769","0.002","31.959","0.006","90","","90","","90","","3232","1.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzyltrimethylammonium dithiobenzoate","benzyltrimethylammonium dithiobenzoate","","- C17 H21 N S2 -","- C17 H21 N S2 -","- C136 H168 N8 S16 -","8","1","","A. Mahjoub","Crystal structure of benzyltrimethylammonium dithiobenzoate, [C~6~H~5~CH~2~N (CH~3~)~3~][C~6~H~5~CS~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","473","474","","","","0.71073","MoKα","","0.1807","0.0316","","","0.0744","0.0789","","","","","","0.748","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101840","10.623","0.003","7.187","0.003","29.912","0.008","90","","90","","90","","2283.7","1.3","173.1","","173.1","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(p-chlorobenzoate)","","- C18 H28 Cl2 Cu N4 O6 -","- C18 H28 Cl2 Cu N4 O6 -","- C72 H112 Cl8 Cu4 N16 O24 -","4","0.5","","J.-C. Lee; H. Takahashi; Y. Matsui","Crystal structure of diaquabis(ethylenediamine-k^2^N,N')copper(II) bis(p-chlorobenzoate), [Cu(C~2~H~8~N~2~)~2~(H~2~O)~2~](C~7~H~4~ClO~2~) ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","491","492","","","x-ray","0.71073","MoKα","","0.0375","0.0236","","","0.0243","0.0282","","","","","","1.013","","","","has coordinates","194598","2020-10-21","18:00:00",""
"8101888","7.5577","0.0008","15.6315","0.0017","30.62","0.003","90","","90","","90","","3617.4","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-hydroxyethylammonium [(2-methoxysalicylaldehydato)benzoylhydrazonato-O,N,O']dioxovanadate(V)","","- C17 H20 N3 O6 V -","- C17 H20 N3 O6 V -","- C136 H160 N24 O48 V8 -","8","1","","Zhou, Y.-Z.; Hu, D.-D.; Chen, R.-J.; Tu, S.-J.","Crystal structure of 2-hydroxyethylammonium [(2-meth-oxysalicylaldehydato) benzoylhydrazonato-O,N,O']-dioxovanadate(V), [C~2~H~8~NO][VO~2~(C~15~H~12~N~2~O~3~)]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","623","624","","","","0.71073","MoKα","","0.0564","0.0373","","","0.0898","0.0991","","","","","","1.04","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101953","11.914","0.004","16.368","0.005","18.237","0.006","90","","90","","90","","3556","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dimethanol-bis(1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-olato)- dicopper(II) dibromide","","- C28 H46 Br2 Cu2 N8 O4 -","- C28 H46 Br2 Cu2 N8 O4 -","- C112 H184 Br8 Cu8 N32 O16 -","4","0.5","","Zhang, G.-F.; Dou, Y.-L.; She, J.-B.; Yin, M.-H.","Crystal structure of dimethanol-bis(1,3-bis(3,5-dimethylpyrazol-1- yl)-propan-2-olato)dicopper(II) dibromide, [Cu~2~(C~13~H~19~N~4~O) ~2~(CH~3~OH)~2~]Br~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","181","182","","","","0.71073","MoKα","","0.1061","0.0602","","","0.1489","0.1846","","","","","","1.026","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101979","10.646","0.001","8.185","0.001","26.402","0.004","90","","90","","90","","2300.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","carbohydrazide p-toluenesulfonate","","- C16 H28 N8 O8 S2 -","- C16 H28 N8 O8 S2 -","- C64 H112 N32 O32 S8 -","4","0.5","","Yang, L.; Yu, W.; Wu, T.; Zhang, T.-L.; Zhang, J.-G.; Guo, J.-Y.; Wu, R.-F.; Ren, F.-J.","Crystal structure of carbohydrazidium(1+) p-toluene-sulfonate, (NH~2~NHCONHNH~3~)[CH~3~C~6~H~4~SO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","281","282","","","","0.71073","MoKα","","0.0597","0.0378","","","0.0872","0.0929","","","","","","1.002","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102000","13.295","0.002","13.113","0.002","23.252","0.003","90","","90","","90","","4053.7","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(cyclopropyl-4-bromosalicylaldiminato)cobalt(II)","","- C20 H18 Br2 Co N2 O2 -","- C20 H18 Br2 Co N2 O2 -","- C160 H144 Br16 Co8 N16 O16 -","8","1","","Wei, Y.-J.; Wang, F.-W.","Crystal structure of bis(cyclopropyl-4-bromosalicylaldiminato)cobalt (II), Co(C~20~H~18~BrNO)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","325","326","","","","0.71073","MoKα","","0.09","0.0512","","","0.1284","0.1511","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102051","12.886","0.004","10.226","0.003","26.694","0.007","90","","90","","90","","3517.5","1.8","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(1-naphthylmethyl)-6-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]-thiadiazine","","- C21 H16 N4 S -","- C21 H16 N4 S -","- C168 H128 N32 S8 -","8","1","","Lei, X.-X.; Chen, Z.-F.; Zhang, L.-X.; Zhang, A.-J.","Crystal structure of 3-(1-naphthylmethyl)-6-phenyl-7H-1,2,4-triazolo [3,4-b][1,3,4]-thiadiazine, C~21~H~16~N~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","475","476","","","","0.71073","MoKα","","0.0864","0.0769","","","0.2501","0.2574","","","","","","1.214","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102070","13.999","0.008","13.295","0.007","25.97","0.015","90","","90","","90","","4833","5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil-1-acetate)","","- C24 H20 F2 N6 O8 -","- C24 H20 F2 N6 O8 -","- C192 H160 F16 N48 O64 -","8","1","","Chen, F.; Xiang, G.-Q.","Crystal structure of 1,2-bis(pyridin-1-ium-4-yl)ethylene bis(5-fluorouracil- 1-acetate), (C~12~H~12~N~2~)[C~6~H~4~FN~2~O~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","514","516","","","","0.71073","MoKα","","0.8107","0.0782","","","0.1736","0.1933","","","","","","1.106","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102092","8.06","0.002","11.318","0.002","11.547","0.002","90","","90","","90","","1053.4","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-bis(4-pyridyl)-glycol","","- C24 H24 N4 O4 -","- C24 H24 N4 O4 -","- C48 H48 N8 O8 -","2","0.25","","Li, J.; Li, D.-S.; Fu, F.; Wang, D.-J.; Dai, J.-Y.; Qi, G.-C.","Crystal structure of 1,2-bis(4-pyridyl)-glycol, C~24~H~24~N~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","125","126","","","","0.71073","MoKα","","0.0667","0.0461","","","0.1231","0.1345","","","","","","1.017","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102095","8.1047","0.0004","23.9262","0.0012","35.7168","0.0017","90","","90","","90","","6926","0.6","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-diethanol-bis(hexafluoroacetyl acetonato)nickel(II) 4,4,5,5-tetramethyl-2-(thiophenal-2-yl)imidazoline-1-oxyl-3-oxide) solvate","","- C25 H29 F12 N2 Ni O8 S -","- C25 H29 F12 N2 Ni O8 S -","- C200 H232 F96 N16 Ni8 O64 S8 -","8","1","","Wang, L.-Y.; Wang, X.-Q.; Jiang, K.; Ma, L.-F.; Wang, J.-G.","Crystal structure of trans-diethanol-bis(hexafluoroacetylacetonato)- nickel(II) 4,4,5,5-tetramethyl-2-(thiophenal-2-yl)imidazoline-1-oxyl- 3-oxide solvate, Ni(C~2~H~5~OH)~2~[C~3~HO~2~(CF~3~)~2~]~2~ · C~7~H~15~N~2~O~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","143","145","","","","0.71073","MoKα","","0.0626","0.0491","","","0.139","0.1535","","","","","","1.031","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102104","35.939","0.002","10.4219","0.0007","10.1829","0.0008","90","","90","","90","","3814","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(2-tert-butyl-5-methyl-4H-1,3-dioxin-4-yl)-2-(trimethylsilyl)- ethanesulfonamide","","- C14 H29 N O4 S Si -","- C14 H29 N O4 S Si -","- C112 H232 N8 O32 S8 Si8 -","8","1","","Tatarov, E.; Bruhn, C.; Frauenrath, H.","Crystal structure of N-((2R*,4S*)-2-tert-butyl-5-methyl-4H-1,3-dioxin- 4-yl)-2-(trimethylsilyl)ethanesulfonamide, C~14~H~29~NO~4~Si","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","139","140","","","","0.71073","MoKα","","0.0633","0.0396","","","0.096","0.1047","","","","","","1.014","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102208","14.3314","0.0012","19.3918","0.0016","25.521","0.002","90","","90","","90","","7092.6","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","azido-(2-bromo-4-chloro-6-((2-diethylaminoethylimino)methyl)phenolato)- (2-bromo-4-chloro-6-((2-diethylhdrogenaminoethylimino)methyl)phenolato)- cobalt(III) nitrate","","- C26 H35 Br2 Cl2 Co N8 O5 -","- C26 H35 Br2 Cl2 Co N8 O5 -","- C208 H280 Br16 Cl16 Co8 N64 O40 -","8","1","","Peng, San-Jun; Wu, Dao-Xin; Song, Liu-Bin","Crystal structure of azido(2-bromo-4-chloro-6-((2-diethylaminoethylimino) methyl)phenolato)(2-bromo-4-chloro-6-((2-diethylhydrogenaminoethylimino) methyl)phenolato)cobalt(III) nitrate, [Co(C~13~H~17~BrClN~2~O)(C~13~H~18~BrClN~2~O)(N~3~)][NO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","427","429","","","","0.71073","MoKα","","0.1741","0.0621","","","0.1363","0.1887","","","","","","0.987","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102241","9.2513","0.0006","8.4347","0.0005","24.105","0.0015","90","","90","","90","","1881","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(1,3,4-thiadiazolium-2-thiolato)lead(II)","","- C4 H2 N4 Pb S4 -","- C4 H2 N4 Pb S4 -","- C32 H16 N32 Pb8 S32 -","8","1","","Qin, Jian-Hua; Hu, Pu-Zhou; Wang, Jian-Ge; Zhao, Bang-Tun","Crystal structure of poly-bis(1,3,4-thiadiazolium-2-thiolato)lead (II), Pb(C~2~HN~2~S~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","451","452","","","","0.71073","MoKα","","0.0176","0.0153","","","0.0346","0.0356","","","","","","1.055","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102261","9.1171","0.0015","14.639","0.002","16.626","0.003","90","","90","","90","","2219","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 2-(1-acetamido-4-oxocyclohexa-2,5-dienyl)acetate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","1","","Brian O. Patrick; Brian A. Mendelsohn; Marco A. Ciufolini","Crystal structure of methyl 2-(1-acetamido-4-oxocyclohexa-2,5-dienyl)-acetate, C11H13NO4","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","205","","","","","0.71073","MoKα","","0.0593","0.0422","","","0.1085","0.1235","","","","","","1.046","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102277","11.1814","0.0001","11.4383","0.0001","18.8671","0.0002","90","","90","","90","","2413.03","0.04","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","diaquabis(μu-betaine-O,O')tris(copper(II)dichloride)","","- C10 H26 Cl6 Cu3 N2 O6 -","- C10 H26 Cl6 Cu3 N2 O6 -","- C40 H104 Cl24 Cu12 N8 O24 -","4","0.5","","Leonore Wiehl; Jürgen Schreuer; Eiken Haussühl; Peggy Hofmann","Crystal structure of diaquabis(m-betaine-O,O')tris-(copper(II) dichloride), (C5H11NO2)2 · 3CuCl2 · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","487","","","","","0.71073","MoKα","","0.0336","0.0254","","","0.0574","0.0653","","","","","","1.183","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102298","12.731","0.003","12.945","0.003","14.871","0.003","90","","90","","90","","2450.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Monoaquabis(pyridine-2-carboxylato-N,O)copper(II)","","- C12 H10 Cu N2 O5 -","- C12 H10 Cu N2 O5 -","- C96 H80 Cu8 N16 O40 -","8","1","","Jian-Ping Zou; Qiu-Ju Xing","Crystal structure of monoaqua-bis(pyridine-2-carboxylato-κ2N,O)copper(II), Cu(H2O)(C6H4NO2)2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","273","","","","","0.71073","MoKα","","0.1495","0.0634","","","0.1269","0.1663","","","","","","1.001","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102302","12.2909","0.0004","12.6265","0.0004","14.6083","0.0005","90","","90","","90","","2267.08","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N4 O8 S2 -","- C20 H24 N4 O8 S2 -","- C80 H96 N16 O32 S8 -","4","0.5","","Zi-Liang Wang; Lin-Heng Wei","Crystal structure of bis(3-aminopyridinium)1,5-naphthalene-disulfonate dihydrate, [(C5H7N2)2][C10H6O6S2] · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","281","","","","","0.71073","MoKα","","0.0366","0.0307","","","0.0857","0.0893","","","","","","1.051","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102329","13.7544","0.0003","15.1793","0.0004","21.6466","0.0004","90","","90","","90","","4519.42","0.18","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co2 O8 S -","- C20 H28 Co2 O8 S -","- C160 H224 Co16 O64 S8 -","8","1","","Alexander Schwärzler; Klaus Wurst; Gerhard Laus; Günther Bonn; Herwig Schottenberger","Crystal structure of bis(cobaltocenium) sulfate tetrahydrate, [(C5H5)2Co]2(SO4) · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","421","","","","","0.71073","MoKα","","0.0461","0.0364","","","0.0775","0.0808","","","","","","1.045","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8102333","15.566","0.0008","17.4892","0.0009","18.161","0.0012","90","","90","","90","","4944.1","0.5","210","2","210","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(2-ethylthiomethyl)pyridine-platinum(II) hexachloroplatinate","","- C16 H22 Cl6 N2 Pt2 S2 -","- C16 H22 Cl6 N2 Pt2 S2 -","- C128 H176 Cl48 N16 Pt16 S16 -","8","1","","Simone Hahn; Alexandra Kelling; Uwe Schilde; Hans-Jürgen Holdt","Crystal structure of bis(2-ethylthiomethylpyridine)platinum(II) hexachloroplatinate, [Pt(C8H11NS)2][PtCl6]","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","491","","","","","0.71073","MoKα","","0.0456","0.0298","","","0.0512","0.0551","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102411","20.935","0.005","13.964","0.003","22.386","0.005","90","","90","","90","","6544","3","193","2","193","2","","","","","","","Purchased from Aldrich","5","P b c a","-P 2ac 2ab","61","Chloropropham","Isopropyl-N-(3-chlorophenyl)carbamate","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C240 H288 Cl24 N24 O48 -","24","3","","Richard J. Staples; Julian A. Gingold","Crystal structure of isopropyl-N-(3-chlorophenyl)carbamate, C10H12ClNO2, Chloropropham","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","121","","","","","0.71073","MoKα","","0.0629","0.0407","","","0.0972","0.1057","","","","","","0.962","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102426","11.9194","0.00012","8.9144","0.0001","15.1025","0.0002","90","","90","","90","","1604.71","0.03","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Co N2 O6 -","- C14 H18 Co N2 O6 -","- C56 H72 Co4 N8 O24 -","4","0.5","","Lei Yang; Suping Li; Qiufen Wang","Crystal structure of diaqua-bis(pyridyl-N)butanedioatocobalt(II), Co(C5H5N)2(H2O)2(C4H4O4)","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","2","217","","","","","0.71073","MoKα","","0.0492","0.0291","","","0.074","0.0831","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102468","6.7627","0.0002","13.837","0.0004","16.5247","0.0005","90","","90","","90","","1546.31","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 Ni O10 -","- C12 H14 N4 Ni O10 -","- C48 H56 N16 Ni4 O40 -","4","0.5","","Hui-Liang Wen; Bo-Wen Lai; Xiao-Qin Wu; Xu-Liang Nie; Xiao-Bo Hu","Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-O,N)nickel, [Ni(H2O)2(C6H5N2O4)2]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","455","","","","","0.71073","MoKα","","0.0308","0.0263","","","0.0745","0.0782","","","","","","1.027","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102480","10.469","0.002","7.153","0.0014","26.363","0.005","90","","90","","90","","1974.2","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C88 H96 O32 -","8","1","","Xiaochuan Li; Woo Taik Lim; Sung-Hoon Kim; Young-A Son","Refinement of crystal structure of b-phenylglutaric acid, C11H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","491","","","","","0.76999","SynchrotronRadiation","","0.0736","0.0579","","","0.1528","0.1675","","","","","","1.118","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102552","13.828","0.002","7.0102","0.0012","19.472","0.003","90","","90","","90","","1887.6","0.5","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Pyrid-4-yibenzoic acid, C~12~H~9~NO~2~","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Feng-Xing Niu; Ji-Wu Wang; Xiang-Yang Hou; Yuan-Yuan Lian; Long Tang; Zhu-Lian Zhang","Crystal structure of 3-pyrid-4-ylbenzoic acid, C12H9NO2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","539","","","","","0.71073","MoKα","","0.0649","0.0425","","","0.104","0.119","","","","","","1.053","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102752","27.3541","0.0014","18.5693","0.0009","18.5693","0.0009","90","","90","","90","","9432.2","0.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H38 N12 Ni3 O4 S2 -","- C50 H38 N12 Ni3 O4 S2 -","- C400 H304 N96 Ni24 O32 S16 -","8","1","","Jing Zhang; Long-Guan Zhu","Crystal structure of tetrakis[m3-bis(2-pyridyl)amido]-di(2-thiophenecarboxylato)trinickel(II), Ni3(C10H8N3)4(C5H3O2S)2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","478","","","","","0.71073","MoKα","","0.0603","0.044","","","0.1283","0.142","","","","","","1.066","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102754","15.1396","0.0018","6.713","0.0008","23.575","0.003","90","","90","","90","","2396","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C96 H72 Br8 N16 O16 -","8","1","","Hong Li; Li-Ming Qiang; Jun-Ling Si; Duo-Bin Mao","Crystal structure of N-(4-bromophenyl)-4-nitrobenzeneamine, C12H9BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","473","","","","","0.71073","MoKα","","0.0818","0.0367","","","0.1077","0.1458","","","","","","0.877","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102832","15.807","0.002","16.875","0.002","21.296","0.003","90","","90","","90","","5680.6","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(2,4-dibromo-6-((2-(dimethylamino)ethylimino)methyl)phenolato)cobalt(II), Co(C~7~H~3~Br~2~O)~2~(C~5~H~12~N~2)~2","","- C24 H30 Br4 Co N4 O2 -","- C24 H30 Br4 Co N4 O2 -","- C192 H240 Br32 Co8 N32 O16 -","8","1","","Yuguang Li; Xiongwei Dong; Jian Zhou; Banfeng Ruan","Crystal structure of bis{2,4-dibromo-6-[(2-dimethylaminoethylimino)methyl]phenolato}cobalt(II), Co(C15H15Br2ON2)2","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","691","","","","","0.71073","MoKα","","0.0729","0.0318","","","0.0492","0.0536","","","","","","1.011","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102858","10.145","0.004","9.052","0.004","14.833","0.006","90","","90","","90","","1362.2","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1H-1,2,4-triazole-3-mercaptoacetic acid","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C32 H40 N24 O16 S8 -","8","1","","Yu-Ting Wang; Rong-Sheng Xin; Jian-Ge Wang","Crystal structure of 1H-1,2,4-triazole-3-mercaptoacetic acid, C4H5N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","751","","","","","0.71073","MoKα","","0.0297","0.0273","","","0.075","0.0775","","","","","","1.05","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102865","14.888","0.003","10.331","0.002","17.724","0.004","90","","90","","90","","2726.1","1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(+)-sinoracutine,C~17~H~17~NO~3~","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","","Bing-Rui Liu; Xiao-Ling Wang; Jun-Ru Wang","Crystal structure of 11-hydroxy-10-methoxy-3-methyl-1,2,3,3a-tetrahydro-4H-benzo[6,7]indeno-[1,7a-b]pyrrol-4-one, C17H17NO3, a (+)-sinoracutine at 93 K","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","733","","","","","0.71073","MoKα","","0.0627","0.0569","","","0.1374","0.1421","","","","","","0.999","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102987","14.105","0.003","15.729","0.003","22.892","0.005","90","","90","","90","","5078.8","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H50 Na2 O62 W12 -","- H50 Na2 O62 W12 -","- H200 Na8 O248 W48 -","4","0.5","","Bi-Song Zhang","Crystal structure of hexakis(m3-hydroxo)-tetra(m2-hydroxo)-octadeca(m2-oxo)-tetradecaoxo-disodium(I) dodecatungsten dodecahydrate, [Na(H2O)4]2(H10W12O42) · 12H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","317","","","","","0.71073","MoKα","","0.0549","0.0439","","","0.1027","0.107","","","","","","1.065","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103001","9.5526","0.0004","12.319","0.0004","20.1123","0.0008","90","","90","","90","","2366.78","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- B4 Co3 Cs2 H6 O28 P6 -","- B4 Co3 Cs1.994 H6 O28 P6 -","- B16 Co12 Cs7.976 H24 O112 P24 -","4","0.5","","Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep","Crystal structure of dicaesium diaquatricobalt(II) (phosphate-borate-hydrogenphosphate), Cs2Co3(H2O)2[B4P6O24(OH)2]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","1","","10.1524/ncrs.2009.224.14.1","","","0.71073","MoKα","","","0.0383","","","","0.0942","","","","","","1.172","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103021","17.6043","0.0004","19.997","0.0005","22.5109","0.0006","90","","90","","90","","7924.6","0.3","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Crystal structure of {[μ-bis(diphenylphosphino) methane]-bis-μ-iodo-quinoline-isoquinolinedicopper(I)}, [Cu~2~(dppm)(C~9~H~7~N)(i-C~9~H~7~N)I~2~]","","- C43 H36 Cu2 I2 N2 P2 -","- C43 H36 Cu2 I2 N2 P2 -","- C344 H288 Cu16 I16 N16 P16 -","8","1","","Qiong-Hua Jin; Li-Li Zhou; Xiao-Dong Yang; Jing-Jing Sun; Pei-Zhou Li","Crystal structure of [m-bis(diphenylphosphino) methane]-bis-m-iodo-quinoline-isoquinolinedicopper(I), [Cu2(CH2(P(C6H5)2)2)(C9H7N)(i-C9H7N)]I2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","139","","","","","0.71073","MoKα","","0.0865","0.0441","","","0.0871","0.0997","","","","","","1.018","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103044","14.1472","0.0015","15.9636","0.0018","22.507","0.002","90","","90","","90","","5083","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","sexammonium bichromium doudecwolframate hydrate, [Cr(H~2~O)~4~]~2~W~12~O~42~ (NH~4~)~6~ (H2O)~6~","","- Cr2 H52 N6 O56 W12 -","- Cr2 H52 N6 O56 W12 -","- Cr8 H208 N24 O224 W48 -","4","0.5","","Hai-Xing Liu","Crystal structure of hexaammonium octaaquadichromium-hexakis(m3-oxo)-icosikaidikis(m2-oxo)-tetradecaoxo-dodecatungsten hexahydrate, (NH4)6[Cr2(H2O)8W12O42] · 6H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","231","","","","","0.71073","MoKα","","0.0472","0.0316","","","0.0709","0.0764","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103070","14.1952","0.0007","7.4719","0.0004","22.6302","0.0012","90","","90","","90","","2400.3","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Bis(2-pyridyl)imido)chloroplatinum(II)","","- C12 H8 Cl N3 O2 Pt -","- C12 H8 Cl N3 O2 Pt -","- C96 H64 Cl8 N24 O16 Pt8 -","8","1","","Kwang Ha","Crystal structure of (bis(2-pyridyl)imido)chloroplatinum(II), PtCl(C12H8N3O2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","55","","","","","0.71073","MoKα","","0.0777","0.0336","","","0.0596","0.0789","","","","","","1.028","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103169","11.9394","0.0005","7.6572","0.0003","22.4747","0.0009","90","","90","","90","","2054.69","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-(thiophen-2-ylmethylene)furan-2-carbohydrazide","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C80 H64 N16 O16 S8 -","8","1","","Heng-Yu Qian; Quan-Ling Wang; Zhi-Gang Yin; Chun-Xia Zhang","Crystal structure of N'-(2-thienylmethylene)-furan-2-carbohydrazide, C10H8N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","419","","","","","0.71073","MoKα","","0.0796","0.0602","","","0.1733","0.188","","","","","","1.054","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103230","14.6136","0.0004","12.5955","0.0005","19.9486","0.0007","90","","90","","90","","3671.9","0.2","233","2","233","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C10 H21 F3 N2 O3 S Si2 -","- C10 H21 F3 N2 O3 S Si2 -","- C80 H168 F24 N16 O24 S8 Si16 -","8","1","","Carmen Froschauer; Klaus Wurst; Gerhard Laus; Herwig Schottenberger","Crystal structure of 1,3-bis(trimethylsilyl)imidazolium trifluoromethanesulfonate, (C9H21N2Si2)(CF3SO3)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","545","","","","","0.71073","MoKα","","0.0698","0.0499","","","0.1028","0.1095","","","","","","1.048","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103243","9.9298","0.0007","18.0293","0.0013","24.5124","0.0017","90","","90","","90","","4388.4","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N2 Ni O8 -","- C25 H18 N2 Ni O8 -","- C200 H144 N16 Ni8 O64 -","8","1","","Xiao-Dong Li; Kun Wang; Feng-Feng Guo","Crystal structure of catena-aqua(2,2'-bipyridine)-(3-(4-carboxyphenoxy)phthalato)nickel(II), Ni(H2O)(C10H8N2)(C15H8O7)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","573","","","","","0.71073","MoKα","","0.036","0.0263","","","0.0642","0.0691","","","","","","1.031","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103247","15.449","0.003","16.714","0.003","16.714","0.003","90","","90","","90","","4315.8","1.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(Tris(1-pyrazolylethyl)-amine-<i>N</i>,<i>N'</i>,<i>N''</i>, <i>N'''</i>)-argentum^I^] hexafluorophosphate","","- C15 H21 Ag F6 N7 P -","- C15 H21 Ag F6 N7 P -","- C120 H168 Ag8 F48 N56 P8 -","8","1","","Zhong-Hai Ni; Guo-Ling Li; Jing Nie","Crystal structure of (tris(1-pyrazolylethyl)amine-?4N,N',N'',N''')silver(I)] hexafluorophosphate, [Ag(C15H21N7](PF6)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","579","","","","","0.71073","MoKα","","0.07","0.0688","","","0.199","0.1996","","","","","","1.239","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103255","5.7327","0.0006","13.3469","0.0014","14.593","0.0015","90","","90","","90","","1116.6","0.2","200","2","200","2","","","","","","","commercial","4","P b c a","-P 2ac 2ab","61","2-picolyl-<i>N</i>-oxide","2-methyl-pyridine-<i>N</i>-oxide","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","1","","Richard Betz; Thomas Gerber; Henk Schalekamp","Crystal structure of 2-methyl-pyridine-N-oxide, C6H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","603","","","","","0.71073","MoKα","","0.0842","0.0596","","","0.1064","0.1218","","","","","","1.113","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103287","7.1019","0.0012","13.082","0.002","25.333","0.005","90","","90","","90","","2353.6","0.7","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Fei-Wen Zhao; Feng Zhang","Crystal structure of 2-[(2-bromophenylimino)methyl]-4-chlorophenol, C13H9BrClNO","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","53","","","","","0.71073","MoKα","","0.032","0.025","","","0.0555","0.0581","","","","","","1","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103293","13.9041","0.0016","14.221","0.002","14.6213","0.0012","90","","90","","90","","2891.1","0.6","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","triethylamine benzoate salt","","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C104 H168 N8 O32 -","8","1","","Mijit Alimjan; Jin-Ling Li; Zi-Wei Gao; Xiao-Li Ding","Crystal structure of triethylammonium 3,5-dihydroxybenzoate, [C6H16N][C7H5O4]","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","39","","","","","0.71073","MoKα","","0.0851","0.0544","","","0.0886","0.0933","","","","","","1.053","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103321","19.3728","0.0008","13.9007","0.0006","23.522","0.001","90","","90","","90","","6334.4","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Cl0 N5 O9 Sr -","- C32 H31 N5 O9 Sr -","- C256 H248 N40 O72 Sr8 -","8","1","","Ren-Yun Kuang; Hong-Mei Chen; Xiao-Chun Zhou","Crystal structure of tetraaqua(5-aminoisophtalato-kO)-(1,10-phenanthroline-k2N,N')strontium(II) — 1,10-phenanthroline — water (1:1:1), Sr(C8H5NO4)(C12H8N2)(H2O)4 · C12H8N2 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","155","","","","","0.71073","MoKα","","0.0729","0.0343","","","0.0772","0.0879","","","","","","1.022","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103339","12.0032","0.0013","9.1488","0.001","19.634","0.002","90","","90","","90","","2156.1","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H11 N O4 S2 -","- C8 H11 N O4 S2 -","- C64 H88 N8 O32 S16 -","8","1","","Ai-Guo Zhong","Crystal structure of S-1-[(carboxymethyl)sulfanyl]-N-(2-oxotetrahydro-3-thienyl)acetamide, C8H11NO4S2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","255","","","","","0.71073","MoKα","","0.0722","0.0438","","","0.1035","0.1152","","","","","","1.089","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103357","12.7998","0.0014","11.0971","0.0018","18.159","0.002","90","","90","","90","","2579.3","0.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Br Fe N -","- C15 H12 Br Fe N -","- C120 H96 Br8 Fe8 N8 -","8","1","","Ning Ma; Ye Wang; Hong-Mei Li; Zhi-Qiang Wang; Chen Xu","Crystal structure of (5-bromo-2-pyridyl)ferrocene, C15H12BrFeN","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","165","","","","","0.71073","MoKα","","0.054","0.0386","","","0.0886","0.0974","","","","","","1.023","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103358","17.218","0.003","8.3969","0.0017","21.955","0.004","90","","90","","90","","3174.2","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl N4 O4 -","- C14 H19 Cl N4 O4 -","- C112 H152 Cl8 N32 O32 -","8","1","","Xiao-Liang Zhou; Hao Wang; Yan Wang; Pei-Ji Shi","Crystal structure of 1-(2-(diethylamino)ethyl)-5-nitro-1H-indazole-3-carboxylic acid hydrochloride, C14H18N4O4 · HCl","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","173","","","","","0.71073","MoKα","","0.0406","0.0373","","","0.093","0.0952","","","","","","1.113","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8103576","17.3355","","11.2494","","11.2913","","90","","90","","90","","2201.96","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs2 Ni (N3)4 (H2 O)","","- Cs2 H2 N12 Ni O -","- Cs2 H2 N12 Ni O -","- Cs16 H16 N96 Ni8 O8 -","8","1","","Maier, H. E.; Krischner, H.; Paulus, H.","Kristallstrukturen komplexer Alkali-Nickel-Azidhydrate","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","277","289","10.1524/zkri.1981.157.3-4.277","","","","","","","","","","","","","","","","","","","","","has coordinates","189514","2020-10-21","18:00:00",""
"8103596","10.879","","10.845","","15.106","","90","","90","","90","","1782.25","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ca8.393 Na0.875 (Al5.175 Fe0.45 Si0.375 O18)","","- Al5.175 Ca8.393 Fe0.45 Na0.875 O18 Si0.375 -","- Al5.174 Ca8.392 Fe0.45 Na0.858 O18 Si0.376 -","- Al20.696 Ca33.568 Fe1.8 Na3.432 O72 Si1.504 -","4","0.5","","Takeuchi, Y.; Nishi, F.; Maki, I.","Crystal chemical characterization of the (Ca O)3 * (Al2 O3) - (Na2 O) solid solution series","Zeitschrift fuer Kristallographie (149,1979-)","1980","152","","259","307","","","","","","","","","","","","","","","","","","","","","","has coordinates","146313","2020-10-21","18:00:00",""
"8103637","15.78","","22.93","","14.13","","90","","90","","90","","5112.73","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Na2 (N H4)8 H2 W12 O42 (H2 O)12","","- H58 N8 Na2 O54 W12 -","- N8 Na2 O54 W12 -","- N32 Na8 O216 W48 -","4","0.5","","d'Amour, H.; Allmann, R.","Die Kristallstruktur des Dinatrium-oktammonium-parawolframat-dodekahydrats, Na2 (N H4)8 (H2 W12 O48) (H2 O)12","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1973","138","","5","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","148107","2020-10-21","18:00:00",""
"8103718","18.296","","8.923","","5.204","","90","","90","","90","","849.58","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Co (Si O3)","","- Co O3 Si -","- Co O3 Si -","- Co16 O48 Si16 -","16","2","","Sasaki, S.; Takeuchi, Y.; Fujino, K.; Akimoto, S.","Electron-density distributions of three orthopyroxenes, Mg2 Si2 O6, Co2 Si2 O6, and Fe2 Si2 O6","Zeitschrift fuer Kristallographie (149,1979-)","1982","158","","279","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103821","19.9206","","21.0526","","18.4966","","90","","90","","90","","7757.11","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mg2 ((U O2)3 (Cr O4)5) (H2 O)17","","- Cr5 H34 Mg2 O43 U3 -","- Cr5 Mg2 O43 U3 -","- Cr40 Mg16 O344 U24 -","8","1","","Krivovichev, S.V.; Burns, P.C.","Geometrical isomerism in uranyl chromates. II. Crystal structures of Mg2((U O2)3 (Cr O4)5) (H2 O)17 and Ca2 ((U O2)3 (Cr O4)5) (H2 O)19","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103871","7.966","","7.794","","13.42","","90","","90","","90","","833.208","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ag (B F4) (H2 O)","","- Ag B F4 H2 O -","- Ag B F4 H2 O -","- Ag8 B8 F32 H16 O8 -","8","1","","Ludwig, W.; Wartchow, R.","Crystal structure of silver tetrafluoroborate monohydrate, Ag (B F4) (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","631","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103890","6.119","","6.2","","12.379","","90","","90","","90","","469.632","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Pt Si Te -","- Pt Si Te -","- Pt8 Si8 Te8 -","8","1","","Mansuetto, M.F.; Ibers, J.A.","Crystal structure of platinum silicon telluride, PtSiTe","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","708","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103932","11.112","","11.724","","17.02","","90","","90","","90","","2217.32","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ce3 Br6 N","","- Br6 Ce3 N -","- Br6 Ce3 N -","- Br48 Ce24 N8 -","8","1","","Mattausch, H.J.; Simon, A.","Crystal structure of tricerium hexabromide nitride, Ce3 Br6 N","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","397","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103983","12.309","","12.169","","12.309","","90","","90","","90","","1843.74","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(C H3)2 N H2 Sn Br3","","- C2 H8 Br3 N Sn -","- C2 H8 Br3 N Sn -","- C16 H64 Br24 N8 Sn8 -","8","1","","Thiele, G.; Serr, B.R.","Crastal Structure of dimethylammonium tribromostannate(II), (C H3)2 N H2 Sn Br3","Zeitschrift fuer Kristallographie - New Crystal Structures","1996","211","","47","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103994","14.4","","11.7","","11.29","","90","","90","","90","","1902.14","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 Zn (N3)4","","- K2 N12 Zn -","- K2 N12 Zn -","- K16 N96 Zn8 -","8","1","","Brunner, A.C.; Krischner, H.","Die Kristallstruktur von Kaliumzinkazid K2 Zn (N3)4","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1975","142","","24","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104072","8.122","","7.829","","13.56","","90","","90","","90","","862.242","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag (Cl O4) (H2 O)","","- Ag Cl H2 O5 -","- Ag Cl H2 O5 -","- Ag8 Cl8 H16 O40 -","8","1","","Wartchow, R.; Ludwig, W.","Crystal structure of silver perchlorate monohydrate, Ag (Cl O4) (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","879","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104087","13.864","","8.708","","6.917","","90","","90","","90","","835.074","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cd (O H) N O3 (H2 O)","","- Cd H3 N O5 -","- Cd H3 N O5 -","- Cd8 H24 N8 O40 -","8","1","","Padeste, C.; Schmalle, H.W.; Oswald, H.R.","Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","35","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104088","13.958","","8.817","","14.402","","90","","90","","90","","1772.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca (O H) N O3 (H2 O)","","- Ca H3 N O5 -","- Ca H3 N O5 -","- Ca16 H48 N16 O80 -","16","2","","Padeste, C.; Schmalle, H.W.; Oswald, H.R.","Crystal structure of calcium hydroxide nitrate hydrate and its superstructure in relation to cadmium hydroxide nitrate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","1992","200","","35","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104213","18.31","","8.927","","5.226","","90","","90","","90","","854.207","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mg.93 Fe1.07 (Si2 O6)","","- Fe1.07 Mg0.93 O6 Si2 -","- Fe1.05 Mg0.95 O6 Si2 -","- Fe8.4 Mg7.6 O48 Si16 -","8","1","","Ghose, S.","Mg2+ - Fe2+ order in an orthopyroxene, Mg.93 Fe1.07 Si2 O6","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1965","122","","81","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","165421","2020-10-21","18:00:00",""
"8104269","9.185","","5.447","","5.145","","90","","90","","90","","257.408","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Ti O2","","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Pauling, L.; Sturdivant, J.H.","The crystal structure of brookite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1928","68","","239","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104360","23.033","","32.887","","5.453","","90","","90","","90","","4130.57","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 Ge O3","","- Ge K2 O3 -","- Ge K2 O3 -","- Ge40 K80 O120 -","40","5","","Halwax, E.; Voellenkle, H.","Die Kristallstruktur des Kaliummetagermanats, K2 Ge O3","Zeitschrift fuer Kristallographie (149,1979-)","1984","169","","63","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104385","14.8563","","25.4669","","9.4895","","90","","90","","90","","3590.29","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Cs5.312 K0.688) (Ga2 P4)","","- Cs5.312 Ga2 K0.688 P4 -","- Cs5.2945 Ga2 K0.7055 P4 -","- Cs42.356 Ga16 K5.644 P32 -","8","1","","Somer, M.; von Schnering, H.G.; Peters, K.; Thiery, D.","Crystal structure of cesium potassium di-mue-phosphidobis(phosphidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","95","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","173322","2020-10-21","18:00:00",""
"8104386","14.5453","","24.4976","","9.1051","","90","","90","","90","","3244.37","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Rb4 (Rb1.06 K0.94) (P2 (Ga P)2)","","- Ga2 K0.94 P4 Rb5.06 -","- Ga2 K0.9431 P4 Rb5.0569 -","- Ga16 K7.5448 P32 Rb40.4552 -","8","1","","Somer, M.; Peters, K.; Thiery, D.; von Schnering, H.G.","Crystal structure of potassium di-mue-phosphidobis(phosphidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","314","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","173324","2020-10-21","18:00:00",""
"8104387","15.0326","","26.1623","","9.6908","","90","","90","","90","","3811.27","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs4 (Cs1.23 K0.77) (As2 (Ga As)2)","","- As4 Cs5.23 Ga2 K0.77 -","- As4 Cs5.2335 Ga2 K0.7665 -","- As32 Cs41.868 Ga16 K6.132 -","8","1","","Somer, M.; Peters, K.; Thiery, D.; von Schnering, H.G.","Crystal structure of cesium potassium di-mue-arsenidobis-(arsenidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1991","195","","312","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","173325","2020-10-21","18:00:00",""
"8104388","14.6982","","25.7417","","9.5057","","90","","90","","90","","3596.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs3 (Cs1.95 Rb1.05) (P2 (Ga P)2)","","- Cs4.95 Ga2 P4 Rb1.05 -","- Cs4.953 Ga2 P4 Rb1.047 -","- Cs39.624 Ga16 P32 Rb8.376 -","8","1","","Somer, M.; von Schnering, H.G.; Carrillo-Cabrera, W.; Peters, K.","Crystal structure of cesium rubidium di-mue-arsenido-bis(arsenidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","329","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","173327","2020-10-21","18:00:00",""
"8104389","15.0513","","26.3804","","9.7476","","90","","90","","90","","3870.38","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs3 (Cs2.18 Rb0.82) (As2 (Ga As)2)","","- As4 Cs5.18 Ga2 Rb0.82 -","- As4 Cs5.171 Ga2 Rb0.829 -","- As32 Cs41.368 Ga16 Rb6.632 -","8","1","","Somer, M.; Carrillo-Cabrera, W.; Peters, K.; von Schnering, H.G.","Crystal structure of Cesium rubidium di-mue-arsenido-bis(arsenidogallate)","Zeitschrift fuer Kristallographie (149,1979-)","1992","201","","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","173329","2020-10-21","18:00:00",""
"8104398","14.6336","","24.8932","","9.163","","90","","90","","90","","3337.87","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb3 (Ga P2)","","- Ga P2 Rb3 -","- Ga P2 Rb3 -","- Ga16 P32 Rb48 -","16","2","","Somer, M.; Thiery, D.; Peters, K.; von Schnering, H.G.","Crystal structure of trirubidium diphosphidogallate","Zeitschrift fuer Kristallographie (149,1979-)","1990","192","","271","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104421","15.665","","12.588","","12.899","","90","","90","","90","","2543.57","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K5 Ga Se4","","- Ga K5 Se4 -","- Ga K5 Se4 -","- Ga8 K40 Se32 -","8","1","","Eisenmann, B.; Hofmann, A.","Crystal structure of pentapotassium tetraselenidogallate(III)","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","163","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104472","17.94","","6.742","","6.795","","90","","90","","90","","821.865","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K Cu (P O4)","","- Cu K O4 P -","- Cu K O4 P -","- Cu8 K8 O32 P8 -","8","1","","Effenberger, H.","Synthese und Kristallstruktur des rhombischen Kalium-kupfer(II)-phosphates K Cu P O4","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","113","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104492","7.443","","7.739","","14.281","","90","","90","","90","","822.605","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N H4 S O3 N H2","","- H6 N2 O3 S -","- H6 N2 O3 S -","- H48 N16 O24 S8 -","8","1","","Cain, B. E.; Kanda, F. A.","The crystal structure of ammonium sulfamate","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1972","135","","253","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","189061","2020-10-21","18:00:00",""
"8104616","12.5772","0.0002","17.3473","0.0003","18.8445","0.0003","90","","90","","90","","4111.5","0.12","289.32","0.1","289.32","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cu I N3 O7 -","- C19 H16 Cu I N3 O7 -","- C152 H128 Cu8 I8 N24 O56 -","8","1","","Lv, Benlian","Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 O,N,O′)-(1,10-phenanothroline-κ2 N,N′)copper(II)] dihydrate, C19H16O7N3CuI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","891","893","10.1515/ncrs-2021-0119","","x-ray","0.71073","MoKα","","0.0341","0.031","","","0.0759","0.0775","","","","","","1.08","","","","has coordinates","273225","2022-03-03","10:02:30",""
"8104632","11.9697","0.0003","10.0493","0.0003","27.8468","0.0007","90","","90","","90","","3349.61","0.16","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 B2 Br F4 N4 -","- C14 H15 B2 Br F4 N4 -","- C112 H120 B16 Br8 F32 N32 -","8","1","","He, Weifeng; Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan","Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C14H15B2BrF4N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","949","952","10.1515/ncrs-2021-0163","","","0.71073","MoKα","","0.1073","0.0697","","","0.1453","0.1585","","","","","","1.097","","","","has coordinates,has disorder","273333","2022-03-04","10:15:12",""
"8104640","7.214","0.003","12.735","0.006","21.305","0.009","90","","90","","90","","1957.3","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Br N3 -","- C10 H8 Br N3 -","- C80 H64 Br8 N24 -","8","1","","Khan, Arshad; Usman, Rabia; Khan, Amjad; Refat, Moamen S.; Alosaimi, Abeer M.; Bakare, Safyah B.; Alghamdi, Mohammed T.","The crystal structure of 4-(3-bromophenyl)pyrimidin-2-amine, C10H8BrN3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","975","976","10.1515/ncrs-2021-0176","","","0.71073","MoKα","","0.0637","0.0353","","","0.0754","0.0808","","","","","","0.882","","","","has coordinates","273341","2022-03-04","10:34:35",""
"8104700","9.2506","0.0002","36.1677","0.0013","12.9475","0.0003","90","","90","","90","","4331.9","0.2","294.43","0.1","294.43","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 B2 F4 N4 -","- C22 H20 B2 F4 N4 -","- C176 H160 B16 F32 N32 -","8","1","","Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan; Son, Young-A","Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C22H20B2F4N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","749","752","10.1515/ncrs-2021-0074","","x-ray","1.54184","CuKα","","0.0805","0.0729","","","0.1949","0.1992","","","","","","1.14","","","","has coordinates,has disorder","273561","2022-03-09","09:51:11",""
"8104723","10.082","0.0014","13.1135","0.0019","20.644","0.003","90","","90","","90","","2729.3","0.7","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 B N2 O2 -","- C17 H13 B N2 O2 -","- C136 H104 B8 N16 O16 -","8","1","","Ren, Huaping; Miao, Zong-Cheng","The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C17H13BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","821","822","10.1515/ncrs-2021-0081","","","1.34139","GaKα","","0.0402","0.0373","","","0.0978","0.1005","","","","","","1.075","","","","has coordinates","273600","2022-03-10","09:59:30",""
"8104740","11.0801","0.0004","6.8489","0.0003","35.3975","0.0013","90","","90","","90","","2686.19","0.18","291.66","0.12","291.66","0.12","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cu I N5 O5 -","- C9 H8 Cu I N5 O5 -","- C72 H64 Cu8 I8 N40 O40 -","8","1","","Lv, Benlian","Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2 N:N′) copper(II)], C9H8N5O5CuI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","873","875","10.1515/ncrs-2021-0112","","x-ray","0.71073","MoKα","","0.0346","0.0325","","","0.0699","0.0707","","","","","","1.241","","","","has coordinates","273651","2022-03-11","09:50:57",""
"8104770","18.0207","0.0013","7.6885","0.0005","18.2326","0.0013","90","","90","","90","","2526.2","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","methyl 4-acetoxy-3,5-dimethoxybenzoate","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","","Xiong, Chun-Lan; Lan, Ying-Dong; Song, Xiu-Ying; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of methyl 4-acetoxy-3,5-dimethoxybenzoate, C12H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","573","575","10.1515/ncrs-2020-0632","","","0.71073","MoKα","","0.0504","0.0411","","","0.1085","0.1214","","","","","","1.065","","","","has coordinates","273730","2022-03-16","09:50:53",""
"8104790","15.3543","0.0017","14.7958","0.0017","25.496","0.003","90","","90","","90","","5792.2","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H36 N2 O4 -","- C33 H36 N2 O4 -","- C264 H288 N16 O32 -","8","1","","Xu, Qin-Juan","Crystal structure of N-(5-(2-(benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide, C33H36N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","647","649","10.1515/ncrs-2021-0012","","","0.71073","MoKα","","0.0745","0.049","","","0.1219","0.1402","","","","","","1.027","","","","has coordinates","273790","2022-03-18","08:29:57",""
"8104861","15.0005","0.0007","15.9478","0.0008","18.4438","0.001","90","","90","","90","","4412.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H52 O14 Ti2 -","- C44 H52 O14 Ti2 -","- C176 H208 O56 Ti8 -","4","0.5","","Youzhu, Yu; Yuhua, Guo; Yongsheng, Niu; Nana, Liu; Hongfei, Zhang","Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3 O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","467","469","10.1515/ncrs-2020-0590","","","0.71073","MoKα","","0.048","0.0372","","","0.0989","0.1089","","","","","","1.049","","","","has coordinates,has disorder","273975","2022-03-25","08:17:16",""
"8104872","21.1781","0.0019","14.4198","0.0013","24.543","0.002","90","","90","","90","","7495","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H64 N18 O30 V10 -","- C60 H64 N18 O30 V10 -","- C240 H256 N72 O120 V40 -","4","0.5","","Cui, Chuansheng; Liu, Sen; Zhao, Wenli","The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C60H64N18O30V10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","25","27","10.1515/ncrs-2020-0465","","","0.71073","MoKα","","0.1042","0.0538","","","0.1278","0.1482","","","","","","0.935","","","","has coordinates","273986","2022-03-25","09:50:30",""
"8104886","11.3126","0.0006","8.3567","0.0004","20.413","0.0011","90","","90","","90","","1929.76","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","benzylthiouronium chloride","benzylthiouronium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of benzylthiouronium chloride, C8H11ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","73","75","10.1515/ncrs-2020-0429","","","0.71073","MoKα","","0.0301","0.024","","","0.0636","0.068","","","","","","1.023","","","","has coordinates","274022","2022-03-28","07:20:49",""
"8104915","8.4285","0.0004","19.2055","0.0009","19.7809","0.0012","90","","90","","90","","3202","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","1","","Kailani, Mohammed H.; Awwadi, Firas F.","4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","179","180","10.1515/ncrs-2020-0436","","","0.71073","MoKα","","0.0843","0.0427","","","0.0912","0.1025","","","","","","1.022","","","","has coordinates","274069","2022-03-29","07:52:44",""
"8104919","16.1956","0.0011","11.7856","0.0008","18.7814","0.0013","90","","90","","90","","3584.9","0.4","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl N4 O5 S2 -","- C14 H15 Cl N4 O5 S2 -","- C112 H120 Cl8 N32 O40 S16 -","8","1","","Miao, Ming-zhi; Li, Ji","The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","189","191","10.1515/ncrs-2020-0501","","","0.71073","MoKα","","0.0558","0.0459","","","0.1166","0.1218","","","","","","1.025","","","","has coordinates","274073","2022-03-29","08:12:42",""
"8104945","14.257","0.0006","7.925","0.0004","29.8796","0.0013","90","","90","","90","","3376","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methoxyphenyl)acetic acid","2-(2-methoxyphenyl)acetic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C144 H160 O48 -","16","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","277","279","10.1515/ncrs-2020-0519","","","0.71073","MoKα","","0.0658","0.0404","","","0.0941","0.105","","","","","","1.031","","","","has coordinates","274108","2022-03-30","07:49:05",""
"8104953","11.972","0.0005","10.4991","0.0004","13.281","0.0006","90","","90","","90","","1669.36","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 I4 Os2 -","- C12 H12 I4 Os2 -","- C48 H48 I16 Os8 -","4","0.5","","Tapala, Kgaugelo C.; Clayton, Hadley S.","The crystal structure of bis(μ2-iodido)-bis(η6-benzene)-bis(iodido)-diosmium(II), C12H12I4Os2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","31","32","10.1515/ncrs-2021-0398","","x-ray","0.71073","MoKα","","0.037","0.0349","","","0.0838","0.0848","","","","","","1.19","","","","has coordinates","274116","2022-03-30","08:51:53",""
"8105024","13.3204","0.0007","7.2517","0.0004","18.5627","0.0009","90","","90","","90","","1793.07","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Cl I O2 -","- C8 H6 Cl I O2 -","- C64 H48 Cl8 I8 O16 -","8","1","","Mphahlele, Malose J.","Crystal structure of 1-(4-chloro-2-hydroxy-5-iodophenyl)ethan-1-one, C8H6ClIO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","81","83","10.1515/ncrs-2019-0504","","x-ray","0.71073","MoKα","","0.0222","0.0195","","","0.0471","0.0483","","","","","","1.101","","","","has coordinates","274336","2022-04-05","08:03:58",""
"8105055","13.9593","0.0002","11.1227","0.0002","21.6656","0.0003","90","","90","","90","","3363.91","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H44 Cl2 N2 O4 Sn4 -","- C24 H44 Cl2 N2 O4 Sn4 -","- C96 H176 Cl8 N8 O16 Sn16 -","4","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of dichlorido-octamethyl-bis(μ3-oxido)-bis(μ2-2-(phenylamino)ethanolato-κ2O:O)tetratin(IV), C24H44Cl2N2O4Sn4","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","193","195","10.1515/ncrs-2019-0567","","","1.54178","CuKα","","0.0269","0.0252","","","0.0633","0.0642","","","","","","1.124","","","","has coordinates","274471","2022-04-12","07:20:47",""
"8105058","13.406","0.0001","16.5112","0.0001","17.6357","0.0001","90","","90","","90","","3903.65","0.04","100","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Mo N2 O6 S -","- C19 H20 Mo N2 O6 S -","- C152 H160 Mo8 N16 O48 S8 -","8","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of (dimethyl sulfoxide)-dioxido-[2-hydroxy-N′-(4-oxo-4-phenylbutan-2-ylidene)benzohydrazidato κ3N,O,O′]molybdenum(VI), C19H20MoN2O6S","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","203","205","10.1515/ncrs-2019-0576","","","1.54184","CuKα","","0.0219","0.0217","","","0.0601","0.0602","","","","","","1.041","","","","has coordinates","274474","2022-04-12","07:38:05",""
"8105101","12.6641","0.0001","13.0014","0.0001","15.3072","0.0001","90","","90","","90","","2520.35","0.03","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cd N4 O4 P2 S4 -","- C16 H22 Cd N4 O4 P2 S4 -","- C64 H88 Cd4 N16 O16 P8 S16 -","4","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of catena-poly[(μ2-1,2-bis(3-pyridylmethylene)hydrazine-κ2 N:N′)-bis(O,O′-dimethyl dithiophosphato-κ2-S,S′)cadmium(II)], {C16H22CdN4O4P2S4}n","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","339","341","10.1515/ncrs-2019-0654","","","1.54184","CuKα","","0.0195","0.0186","","","0.0497","0.0503","","","","","","1.071","","","","has coordinates","274791","2022-05-02","09:19:16",""
"8105103","13.101","0.006","11.151","0.005","20.855","0.01","90","","90","","90","","3047","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena((E)-2-(((5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2- yl)imino)methyl)phenol)","","- C12 H15 N3 O S2 Sn -","- C12 H15 N3 O S2 Sn -","- C96 H120 N24 O8 S16 Sn8 -","8","1","","Sun, Junshan","The crystal structure of catena-poly[(E)-2-(((5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol], C12H15N3OS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","347","348","10.1515/ncrs-2019-0658","","","0.71073","MoKα","","0.0903","0.044","","","0.1115","0.156","","","","","","1.038","","","","has coordinates","274793","2022-05-02","09:37:16",""
"8105104","19.209","0.013","15.144","0.011","24.011","0.019","90","","90","","90","","6985","9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","dichloro[1,1-di-<i>p</i>-tolyl-<i>N</i>-(2-methylbenzene) phosphinamide-<i>k</i>P](methyl-di-<i>p</i>- tolylphosphinite-<i>k</i>P)-palladium(II)","","- C36 H39 Cl2 N O P2 Pd -","- C36 H39 Cl2 N O P2 Pd -","- C288 H312 Cl16 N8 O8 P16 Pd8 -","8","1","","Kama, Dumisani V.; Brink, Alice; Roodt, Andreas","Crystal structure of dichlorido(N-o-tolyl-1,1-di-p-tolylphosphanamine–κ1 P)-(methoxydi-p-tolylphosphane-κ1 P)palladium(II), C36H39Cl2NOP2Pd","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","349","352","10.1515/ncrs-2019-0659","","","0.71069","MoKα","","0.0491","0.0292","","","0.0706","0.0867","","","","","","1.127","","","","has coordinates","274794","2022-05-02","09:42:01",""
"8105108","12.675","0.0018","11.0927","0.0017","28.4","0.004","90","","90","","90","","3993","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cl2 N O5 -","- C19 H19 Cl2 N O5 -","- C152 H152 Cl16 N8 O40 -","8","1","","Guo, You-Yuan; Wang, Huan; Ma, Xin; Fu, Ying","Crystal structure of 5,5-dimethyl-3-oxocyclohex-1-en-1-yl 4-(2,2-dichloroacetyl)-3,4-dihydro-2 H-benzo[b][1,4]oxazine-7-carboxylate, C19H19Cl2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","361","363","10.1515/ncrs-2019-0671","","","0.71073","MoKα","","0.1227","0.07","","","0.1704","0.2011","","","","","","1.064","","","","has coordinates","274838","2022-05-03","08:15:22",""
"8105122","7.0607","0.0002","18.4459","0.0005","23.8955","0.0007","90","","90","","90","","3112.17","0.15","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 F N4 O -","- C19 H17 F N4 O -","- C152 H136 F8 N32 O8 -","8","1","","Chen, Yu Hang; Dan, Yan Rong; Gan, Lin Ling; Yu, Yu","Crystal structure of 3-fluoro-9-methoxy-4b,5,14,15-tetrahydro-6H-isoquinolino [2′,1′:1,6]pyrazino[2,3-b]quinoxaline, C19H17FN4O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","2","401","402","10.1515/ncrs-2019-0708","","x-ray","1.54184","CuKα","","0.0657","0.0543","","","0.1407","0.154","","","","","","1.026","","","","has coordinates","274865","2022-05-04","07:08:59",""
"8105176","9.7864","0.0002","15.5709","0.0003","18.7774","0.0004","90","","90","","90","","2861.36","0.1","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-((4-phenyl-5-(pyridin-4-yl)-4<i>H</i>-1,2,4-triazol-3-yl)thio)acetonitrile","","- C15 H11 N5 S -","- C15 H11 N5 S -","- C120 H88 N40 S8 -","8","1","","Sun, Guo-Xiang; Min, Li-Jing; Han, Liang; Liu, Xing-Hai","Crystal structure of 2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, C15H11N5S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","199","200","10.1515/ncrs-2021-0431","","","0.71073","MoKα","","0.0974","0.0485","","","0.116","0.139","","","","","","1.014","","","","has coordinates","275263","2022-05-09","07:52:29",""
"8105182","11.437","0.0004","6.9921","0.0002","22.8443","0.0009","90","","90","","90","","1826.83","0.11","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br N5 O4 -","- C5 H6 Br N5 O4 -","- C40 H48 Br8 N40 O32 -","8","1","","Jiaxiang, Zhao; Pengbao, Lian; Jun, Chen; Chong, Li; Jianlong, Wang","The crystal structure of 1-(2-bromoethane)-4-amine-3,5-dinitropyrazole, C5H6Br1N5O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","215","216","10.1515/ncrs-2021-0459","","","0.71073","MoKα","","0.0458","0.0357","","","0.0982","0.1062","","","","","","1.049","","","","has coordinates","275269","2022-05-09","08:22:24",""
"8105195","16.097","0.002","9.8309","0.0013","17.349","0.002","90","","90","","90","","2745.4","0.6","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N6 -","- C13 H16 N6 -","- C104 H128 N48 -","8","1","","Wu, Gui-Ling","The crystal structure of tris(4-methyl-1H-pyrazol-1-yl)methane, C13H16N6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","253","254","10.1515/ncrs-2021-0467","","","0.71073","MoKα","","0.0574","0.0434","","","0.1167","0.1302","","","","","","1.039","","","","has coordinates","275289","2022-05-10","07:47:19",""
"8105227","10.6137","0.0002","20.1559","0.0004","31.4991","0.0005","90","","90","","90","","6738.6","0.2","128.15","","128.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl2 N2 O2 -","- C40 H36 Cl2 N2 O2 -","- C320 H288 Cl16 N16 O16 -","8","1","","Wang, Xiaoxia; Zhang, Danyang; Zhuang, Pengyu; Zhang, Yao; Xu, Jiale","Crystal structure of 3,10-bis(4-chlorophenyl)-6,12-dibenzyl-2,9-acetyl-6,12-diazapentacyclo[6.3.1.02,7.04,11.05,9]-dodecane, C40H36Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","587","588","10.1515/ncrs-2019-0834","","x-ray","0.71073","MoKα","","0.0613","0.0471","","","0.1155","0.1242","","","","","","1.023","","","","has coordinates","275357","2022-05-12","07:32:10",""
"8105232","16.8032","0.0017","13.278","0.0013","17.9636","0.0018","90","","90","","90","","4007.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N6 O7 Zn -","- C17 H16 N6 O7 Zn -","- C136 H128 N48 O56 Zn8 -","8","1","","Tao, Defu; Pang, Haixia; Hu, Chuanqun; Tang, Qiang","Crystal structure of catena-poly[(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O)-bis(nitrato-κ1 O)zinc(II)], C17H16N6O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","601","603","10.1515/ncrs-2019-0844","","","0.71073","MoKα","","0.0354","0.0269","","","0.0836","0.0879","","","","","","1.07","","","","has coordinates","275362","2022-05-12","08:12:04",""
"8105325","11.9307","0.0009","14.8166","0.0017","22.923","0.002","90","","90","","90","","4052.2","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Br2 Fe N5 O3 -","- C17 H16 Br2 Fe N5 O3 -","- C136 H128 Br16 Fe8 N40 O24 -","8","1","","Xiao, Jianchang; Zhou, Cun; Huang, Meifen; Tan, Hui; Wu, Qiong","Crystal structure of aqua-azido-κ1 N-(6,6′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-bromophenolato)-κ4 N,N′,O,O′iron(III), C17H16Br2FeN5O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","903","904","10.1515/ncrs-2020-0091","","","1.54178","CuKα","","0.0982","0.075","","","0.2139","0.2497","","","","","","1.094","","","","has coordinates","275756","2022-06-03","07:00:55",""
"8105355","16.792","0.005","9.153","0.003","22.809","0.006","90","","90","","90","","3505.7","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C152 H168 N8 O16 S8 -","8","1","","Liu, Huixia; Huang, Xie; He, Wei","Crystal structure of 5-methyl-3-phenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C19H21NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","993","994","10.1515/ncrs-2020-0150","","","0.71073","MoKα","","0.1196","0.0622","","","0.125","0.1494","","","","","","1.023","","","","has coordinates","275871","2022-06-07","08:27:47",""
"8105356","12.5166","0.0012","12.5881","0.0014","19.0086","0.0019","90","","90","","90","","2995","0.5","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Crystal structure of bis(3-chlorosalicylidene)-ethylenediaminato)-Nickel (II), C~16~H~12~Cl~2~NiN~2~O~2~","","- C16 H12 Cl2 N2 Ni O2 -","- C16 H12 Cl2 N2 Ni O2 -","- C128 H96 Cl16 N16 Ni8 O16 -","8","1","","Xiao, Jianchang; Zhou, Cun; Tan, Hui; Huang, Meifen; Wu, Qiong","Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","995","996","10.1515/ncrs-2020-0151","","","0.71073","MoKα","","0.0871","0.0435","","","0.0744","0.0826","","","","","","0.993","","","","has coordinates","275872","2022-06-07","08:30:51",""
"8105363","17.4714","0.0012","10.918","0.0007","20.0697","0.0014","90","","90","","90","","3828.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O8 Zn -","- C18 H19 N2 O8 Zn -","- C144 H152 N16 O64 Zn8 -","8","1","","Li, Guoqiang; Chen, Guo; Liu, Yanping; Wang, Gao; Liu, Liyu","Poly[bis(dimethylformamide-κO)-(μ8-5,5′′-dicarboxy-[1,1′:4′,1′′-terphenyl]-2′,3,3′′,5′-tetracarboxylato-κ8 O:O 1:O 2:O 3:O 4:O 5:O 6:O 7)dizinc(II)] — dimethylformamide (1/2), C18H19N2O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1011","1013","10.1515/ncrs-2020-0117","","","0.71073","MoKα","","0.0761","0.0449","","","0.1211","0.1492","","","","","","1.083","","","","has coordinates","275909","2022-06-08","08:35:43",""
"8105432","12.7348","0.0002","14.6361","0.0003","24.158","0.0006","90","","90","","90","","4502.76","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl4 O S Sn -","- C20 H18 Cl4 O S Sn -","- C160 H144 Cl32 O8 S8 Sn8 -","8","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chloridotris(4-chlorophenyl)(dimethyl sulfoxide-κO)tin(IV), C20H18Cl4OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1241","1243","10.1515/ncrs-2020-0291","","","1.54184","CuKα","","0.0366","0.0337","","","0.0888","0.0913","","","","","","1.037","","","","has coordinates,has disorder","276119","2022-06-21","07:54:05",""
"8105474","10.7095","0.0003","8.1455","0.0002","27.5374","0.0008","90","","90","","90","","2402.2","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","","Olomola, Temitope O.; Maluleka, Marole M.; Mphahlele, Malose J.","Crystal structure of 1-(6-hydroxy-2-phenylbenzofuran-5-yl)ethan-1-one, C16H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1389","1391","10.1515/ncrs-2020-0330","","x-ray","0.71073","MoKα","","0.0538","0.0369","","","0.0861","0.0947","","","","","","1.019","","","","has coordinates","276180","2022-06-23","08:53:40",""
"8105484","10.713","0.002","15.689","0.003","24.485","0.005","90","","90","","90","","4115.3","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-octyl-5,5-diphenylimidazolidine-2,4-dione","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C184 H224 N16 O16 -","8","1","","Guerrab, Walid; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 3-octyl-5,5-diphenylimidazolidine-2,4-dione, C23H28N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1425","1427","10.1515/ncrs-2020-0347","","","0.71073","MoKα","","0.0819","0.0581","","","0.1584","0.1734","","","","","","1.079","","","","has coordinates,has disorder","276190","2022-06-23","09:36:17",""
"8105488","11.9612","0.0005","8.1215","0.0003","27.5865","0.0012","90","","90","","90","","2679.83","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Tan, Ming Yueh; Ho, Sheng Zhou; Tan, Kong Wai; Tiekink, Edward R.T.","Crystal structure of 3-ethyl-1-[(E)-[(2E)-3-phenylprop-2-en-1-ylidene]amino]thiourea, C12H15N3S","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1439","1441","10.1515/ncrs-2020-0351","","","1.54184","CuKα","","0.063","0.052","","","0.1395","0.1514","","","","","","1.037","","","","has coordinates","276219","2022-06-24","06:58:33",""
"8105512","17.8312","0.0001","12.0291","0.0001","18.5895","0.0001","90","","90","","90","","3987.32","0.05","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl2 O2 P2 Sn -","- C44 H48 Cl2 O2 P2 Sn -","- C176 H192 Cl8 O8 P8 Sn4 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dichloridodimethylbis(tri-4-tolylphosphane oxide-κO)-tin(IV), C44H48Cl2O2P2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1527","1529","10.1515/ncrs-2020-0378","","","1.54184","CuKα","","0.0205","0.0196","","","0.0557","0.0564","","","","","","1.02","","","","has coordinates","276243","2022-06-24","09:30:45",""
"8105521","12.8449","0.0005","12.5266","0.0006","19.054","0.0011","90","","90","","90","","3065.8","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl2 Cu N2 O2 -","- C16 H12 Cl2 Cu N2 O2 -","- C128 H96 Cl16 Cu8 N16 O16 -","8","1","","Ju, Hongping; Li, Meihua; Chen, Zihao; Wu, Qiong; Chai, Yanling","Crystal structure of (6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato-κ2 N,O))copper(II), C16H12Cl2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","3","4","10.1515/ncrs-2017-0249","","","0.71073","MoKα","","0.0633","0.0423","","","0.1012","0.1164","","","","","","1.063","","","","has coordinates","276273","2022-06-27","08:14:24",""
"8105631","10.7674","0.0016","19.542","0.003","20.97","0.003","90","","90","","90","","4412.4","1.1","153","","153.03","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C240 H184 N8 O16 -","8","1","","Zuo, Zhenyu; Hu, Kunxia; Song, Xiao; Zhang, Hong; Tang, Zhishu","The crystal structure of 1,5-di(naphthalen-2-yl)-3-(pyridin-2-yl)pentane-1,5-dione, C30H23NO2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","325","326","10.1515/ncrs-2018-0378","","","1.54178","CuKα","","0.0371","0.035","","","0.094","0.0963","","","","","","1.063","","","","has coordinates","276531","2022-07-04","09:18:39",""
"8105641","12.954","0.003","11.494","0.003","20.825","0.005","90","","90","","90","","3100.7","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F N3 S2 Sn -","- C12 H14 F N3 S2 Sn -","- C96 H112 F8 N24 S16 Sn8 -","8","1","","Sun, Junshan","Crystal structure of catena-poly[(1-(4-fluorophenyl)-N–(5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine], (C12H14FN3S2Sn)n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","347","348","10.1515/ncrs-2018-0407","","","0.71073","MoKα","","0.0462","0.0274","","","0.0573","0.0658","","","","","","1.034","","","","has coordinates","276541","2022-07-04","09:45:55",""
"8105659","18.4662","0.0006","15.2888","0.0005","33.2661","0.001","90","","90","","90","","9391.9","0.5","180","0.5","180","0.5","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis [{[(4-fluorophenyl)amino]methyl}(triphenyl)phosphanium] tetrachloro-Cobaltate","","- C50 H44 Cl4 Co F2 N2 P2 -","- C50 H44 Cl4 Co F2 N2 P2 -","- C400 H352 Cl32 Co8 F16 N16 P16 -","8","1","","Kanchanadevi, S.; Fronczek, Frank R.; Arun, V.; Mahalingam, V.","Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","401","403","10.1515/ncrs-2018-0288","","","0.71073","MoKα","","0.0544","0.0403","","","0.0921","0.1005","","","","","","1.074","","","","has coordinates","276726","2022-07-07","08:19:34",""
"8105668","14.319","0.002","16.7358","0.0005","22.6972","0.0016","90","","90","","90","","5439.2","0.9","235","","235.38","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H44 Cl6 F12 N4 P4 Ru -","- C46 H44 Cl6 F12 N4 P4 Ru -","- C184 H176 Cl24 F48 N16 P16 Ru4 -","4","0.5","","Junwei, Zheng; Lu, Xiu Lian","Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","425","427","10.1515/ncrs-2018-0430","","","1.54178","CuKα","","0.1517","0.0727","","","0.1326","0.1672","","","","","","1.032","","","","has coordinates,has disorder","276744","2022-07-11","07:24:30",""
"8105670","8.3378","0.0008","21.188","0.002","22.802","0.002","90","","90","","90","","4028.2","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H44 Cl2 N4 O12 Zn3 -","- C36 H44 Cl2 N4 O12 Zn3 -","- C144 H176 Cl8 N16 O48 Zn12 -","4","0.5","","Tan, Yuye; Huang, Junjie; Lu, Hui; Sun, Jianhua","Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6 O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","431","432","10.1515/ncrs-2018-0440","","","0.71073","MoKα","","0.0755","0.0513","","","0.1051","0.1193","","","","","","1.071","","","","has coordinates","276746","2022-07-11","07:39:00",""
"8105680","9.4083","0.0004","17.1334","0.0008","31.9251","0.0014","90","","90","","90","","5146.2","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 Cl2 N3 O Pd -","- C25 H31 Cl2 N3 O Pd -","- C200 H248 Cl16 N24 O8 Pd8 -","8","1","","Sun, Kai-Xin; Wu, Xiang-Ting; Li, Guo-Xing","Crystal structure of trans-dichlorido-(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)-(5-methyl-3,4-dihydro-2H-pyrrole-κN)palladium(II), C25H31Cl2N3OPd","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","455","456","10.1515/ncrs-2018-0466","","","0.71073","MoKα","","0.0748","0.06","","","0.1163","0.1232","","","","","","1.242","","","","has coordinates","276756","2022-07-11","09:05:48",""
"8105702","9.8515","0.0012","16.508","0.002","29.817","0.003","90","","90","","90","","4849.1","1","104.27","","104.27","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 B2 F8 N5 -","- C19 H27 B2 F8 N5 -","- C152 H216 B16 F64 N40 -","8","1","","Ywaya, David O.; Friedrich, Holger B.; Bala, Muhammad D.; Soobramoney, Lynette; Ibrahim, Halliru","Crystal structure of 3,3′-(pyridine-2,6-diylbis(methylene))bis(1-propyl-1H-imidazol-3-ium) ditetrafluoroborate, C19H27B2F8N5","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","381","383","10.1515/ncrs-2022-0078","","","0.71073","MoKα","","0.052","0.0409","","","0.1007","0.1082","","","","","","1.028","","","","has coordinates,has disorder","277386","2022-08-24","09:34:55",""
"8105802","20.7559","0.001","9.3427","0.0005","27.6827","0.0012","90","","90","","90","","5368.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl6 Co N2 -","- C20 H30 Cl6 Co N2 -","- C160 H240 Cl48 Co8 N16 -","8","1","","Ayom, Gwaza E.; Zamisa, Sizwe J.; Van Zyl, Werner E.","Crystal structure of 1,1′-methylenebis(4-tert-butylpyridinium) tetrachloridocobaltate(II) – dichloromethane (1:1), C20H30Cl6CoN2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","629","631","10.1515/ncrs-2018-0581","","","0.71073","MoKα","","0.0333","0.0235","","","0.0573","0.0593","","","","","","1.029","","","","has coordinates,has disorder","278003","2022-09-20","09:19:50",""
"8105808","13.3238","0.0011","15.9366","0.0013","18.0943","0.0016","90","","90","","90","","3842.1","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl2 N4 Zn -","- C14 H24 Cl2 N4 Zn -","- C112 H192 Cl16 N32 Zn8 -","8","1","","Li, Zongmu","The crystal structure of dichlorido-bis(1-butyl-1H-imidazole-κN)zinc(II), C14H24Cl2ZnN4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","649","651","10.1515/ncrs-2019-0001","","","0.71073","MoKα","","0.0819","0.0393","","","0.0877","0.1053","","","","","","1.038","","","","has coordinates","278022","2022-09-21","07:27:07",""
"8105818","10.5199","0.0019","13.436","0.003","15.235","0.003","90","","90","","90","","2153.4","0.7","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3,5-trinitro-4,6-diazidobenzene","","- C6 H N9 O6 -","- C6 H N9 O6 -","- C48 H8 N72 O48 -","8","1","","Peilan, Wang; Jianlong, Wang; Lizhen, Chen","The crystal structure of 1,3,5-trinitro-4,6-diazidobenzene, C6HN9O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","681","682","10.1515/ncrs-2019-0027","","x-ray","0.71073","MoKα","","0.0564","0.0435","","","0.1243","0.1355","","","","","","1.047","","","","has coordinates","278032","2022-09-21","09:16:25",""
"8105831","12.2","0.002","9.58","0.0019","25.06","0.005","90","","90","","90","","2928.9","1","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C152 H128 N16 O16 -","8","1","","Xi-Shi, Tai; Li-Hua, Wang; Li-Li, Liu; Xiao-Jing, Zhou","The crystal structure of (E)-N′-((2-hydroxynaphthalen-1-yl)methylene)-2-phenylacetohydrazide, C19H16O2N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","723","724","10.1515/ncrs-2019-0074","","","0.71073","MoKα","","0.1201","0.0818","","","0.2172","0.2438","","","","","","1.187","","","","has coordinates","278074","2022-09-22","09:13:31",""
"8105865","16.485","0.003","17.441","0.003","41.1","0.007","90","","90","","90","","11817","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H98 B2 N2 O17 -","- C46 H98 B2 N2 O17 -","- C368 H784 B16 N16 O136 -","8","1","","Cui, Yongxia; Chen, Xiaohui; Zhang, Tingting","Crystal structure of tetrabutylammonium 4,4-oxydibenzoate – boric acid – water (1/2/6) C46H98B2N2O17","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","831","834","10.1515/ncrs-2019-0140","","","0.71073","MoKα","","0.0804","0.0516","","","0.1335","0.1557","","","","","","1.037","","","","has coordinates,has disorder","278173","2022-09-26","15:32:32",""
"8105914","10.4","0.0002","11.5622","0.0002","23.4776","0.0004","90","","90","","90","","2823.11","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl N3 S -","- C14 H14 Cl N3 S -","- C112 H112 Cl8 N24 S8 -","8","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of 1-(4-chlorophenyl)-3-[methyl(phenyl)amino]thiourea, C14H14ClN3S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","989","990","10.1515/ncrs-2019-0205","","","1.54184","CuKα","","0.031","0.0284","","","0.0749","0.0774","","","","","","1.046","","","","has coordinates","278681","2022-10-21","06:43:30",""
"8105915","9.4795","0.0007","10.7585","0.001","18.8783","0.0013","90","","90","","90","","1925.3","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Huang, Guo-Ling; Chen, Xiu-Wen; Chen, Lu; Li, Yi-Biao","Crystal structure of 2-tert-butyl-1H-imidazo[4,5-b]pyridine, C10H13N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","991","992","10.1515/ncrs-2019-0208","","x-ray","0.71073","MoKα","","0.0788","0.0702","","","0.1883","0.1959","","","","","","1.053","","","","has coordinates","278682","2022-10-21","06:51:52",""
"8105924","20.601","0.003","13.5059","0.0016","25.015","0.003","90","","90","","90","","6960","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H50 Cl2 N4 Ni O8 -","- C29 H50 Cl2 N4 Ni O8 -","- C232 H400 Cl16 N32 Ni8 O64 -","8","1","","Guang-Chuan, Ou; Jia, Guo-Kai; Tan, Ying-Zhi","Crystal structure of [(2-(2-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2 O,O′) (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′)]nickel(II) perchlorate, C29H50Cl2N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1019","1021","10.1515/ncrs-2019-0236","","","0.71073","MoKα","","0.0873","0.0495","","","0.1341","0.1652","","","","","","1.028","","","","has coordinates","278691","2022-10-21","07:44:09",""
"8105930","11.0487","0.0004","13.5","0.0006","21.1032","0.001","90","","90","","90","","3147.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","Lou, Xin-Hua","Crystal structure of 2-(2-(6-methylpyridin-2-yl)naphthalen-1-yl)pyrimidine, C20H15N3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1037","1038","10.1515/ncrs-2019-0247","","x-ray","0.71073","MoKα","","0.0653","0.0448","","","0.1009","0.1136","","","","","","1.032","","","","has coordinates","278697","2022-10-21","08:48:54",""
"8105934","24.6961","0.0008","14.0952","0.0005","24.696","","90","","90","","90","","8596.6","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H43 Fe2 N5 O10 -","- C47 H43 Fe2 N5 O10 -","- C376 H344 Fe16 N40 O80 -","8","1","","Ya, Li; Xiangqing, Fang; Junyi, Liu; Chi, Dong; Liguo, Yang","Crystal structure of (μ2-oxido)-bis(N,N′-o-phenylenebis(salicylideneiminato))diiron(III) — N,N′-dimethylformamide, C47H43Fe2N4O9","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1051","1053","10.1515/ncrs-2019-0256","","","0.71073","MoKα","","0.0593","0.0374","","","0.099","0.1209","","","","","","1.06","","","","has coordinates","278701","2022-10-21","09:04:02",""
"8105965","14.3646","0.0018","15.5927","0.0019","19.645","0.003","90","","90","","90","","4400.1","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F N2 O4 S -","- C24 H23 F N2 O4 S -","- C192 H184 F8 N16 O32 S8 -","8","1","","Cai, Zedong; Huang, Xie; He, Wei","Crystal structure of 3-fluoro-3-methyl-1-((2-nitrophenyl)sulfonyl)-5,5-diphenylpiperidine, C24H23FN2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1161","1162","10.1515/ncrs-2019-0302","","","0.71073","MoKα","","0.042","0.0349","","","0.0919","0.0982","","","","","","1.036","","","","has coordinates","278745","2022-10-24","09:42:36",""
"8105988","9.989","0.0011","14.4529","0.0016","21.635","0.002","90","","90","","90","","3123.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C120 H136 N8 O32 S8 -","8","1","","Wu, Deng-Ze","The crystal structure of ethyl 2-(3-(2-ethoxy-2-oxoethyl)benzo[d] thiazol-2(3H)-ylidene)acetate, C15H17NO4S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1225","1226","10.1515/ncrs-2019-0359","","","0.71073","MoKα","","0.0779","0.0565","","","0.1487","0.1656","","","","","","1.028","","","","has coordinates,has disorder","278813","2022-10-26","09:39:05",""
"8105993","10.1587","0.0008","16.2842","0.0015","32.862","0.003","90","","90","","90","","5436.2","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H45 K0.26 N2 O6 Rb0.74 -","- C22 H45 K0.263 N2 O6 Rb0.737 -","- C176 H360 K2.104 N16 O48 Rb5.896 -","8","1","","Henneberger, Thomas; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O6) 1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl(potassium, rubidium) — ammonia (1/2), [K0.3Rb0.7(18-crown-6)]Cp*⋅2 NH3, C22H45K0.3N2O6Rb0.7","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1241","1243","10.1515/ncrs-2019-0368","","","0.71073","MoKα","","0.134","0.0386","","","0.0537","0.0616","","","","","","0.692","","","","has coordinates","279072","2022-11-08","07:53:50",""
"8106025","18.7178","0.0002","15.2296","0.0002","32.0558","0.0003","90","","90","","90","","9137.97","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Cl N2 O3 -","- C16 H15 Cl N2 O3 -","- C384 H360 Cl24 N48 O72 -","24","3","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-chloro-N′-[(1E)-(3-ethoxy-2-hydroxyphenyl)methylidene]benzohydrazide – a Z′ = 3 structure, C16H15ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1341","1344","10.1515/ncrs-2019-0528","","","1.54184","CuKα","","0.0456","0.0407","","","0.1053","0.1099","","","","","","1.015","","","","has coordinates","279104","2022-11-08","10:43:18",""
"8106138","8.9735","0.0004","12.2946","0.0007","19.3751","0.0011","90","","90","","90","","2137.6","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione","","- C9 H11 Cl N4 O2 -","- C9 H11 Cl N4 O2 -","- C72 H88 Cl8 N32 O16 -","8","1","","Ali, Syed Saeed; Al-Obaid, Abdulrahman M.; Hosten, Eric C.; Bari, Ahmed","The crystal structure of 8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, C9H11ClN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","317","318","10.1515/ncrs-2017-0314","","","0.71073","MoKα","","0.0435","0.0355","","","0.1001","0.1087","","","","","","1.072","","","","has coordinates","279358","2022-11-17","10:09:15",""
"8106144","16.0887","0.0002","14.5333","0.0002","20.555","0.0002","90","","90","","90","","4806.21","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H23 F N2 O3 Sn -","- C28 H23 F N2 O3 Sn -","- C224 H184 F8 N16 O24 Sn8 -","8","1","","Tan, Yee Seng; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of (N-(3-ethoxy-2-oxidobenzylidene)-4-fluorobenzohydrazonato-κ3 N,O,O′)-diphenyltin(IV), C28H23FN2O3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","331","333","10.1515/ncrs-2017-0416","","","1.54178","CuKα","","0.0224","0.0199","","","0.0574","0.0596","","","","","","1.015","","","","has coordinates","279364","2022-11-17","10:29:45",""
"8106183","9.4551","0.0004","19.7133","0.0009","39.693","0.002","90","","90","","90","","7398.4","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Fe Ni2 O P2 -","- C42 H48 Fe Ni2 O P2 -","- C336 H384 Fe8 Ni16 O8 P16 -","8","1","","Langen, Christina; Bruhn, Clemens; Siemeling, Ulrich","Synthesis and crystal structure of μ-[1,1′-di(mesitylphosphanido)ferrocene]bis[η5-cyclopentadienylnickel(II)] tetrahydrofurane solvate, C42H48FeNi2OP2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","459","461","10.1515/ncrs-2017-0354","","","0.71073","MoKα","","0.1195","0.0598","","","0.126","0.1481","","","","","","1.001","","","","has coordinates","279431","2022-11-21","09:44:03",""
"8106267","14.3606","0.0004","7.425","0.0002","34.284","0.0009","90","","90","","90","","3655.62","0.17","571","2","571","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-<i>N</i>-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","1","","Xiao, Xin-Sheng; Jia, Guo-Kai; Li, Wen-Yi; Chen, Xiu-Wen","Crystal structure of (Z)-N-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide, C21H17N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","699","700","10.1515/ncrs-2018-0026","","","1.54178","CuKα","","","0.0399","","","","0.1178","","","","","","1.033","","","","has coordinates","279588","2022-11-28","08:38:57",""
"8106302","15.093","0.002","13.896","0.002","17.501","0.002","90","","90","","90","","3670.5","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Meng, Qing-Hua; Long, Xu; Liu, Jing-Li; Zhang, Shuan; Zhang, Guang-Hui","Crystal structure of methyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C21H22N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","805","806","10.1515/ncrs-2018-0017","","","0.71073","MoKα","","0.0737","0.0446","","","0.1094","0.1208","","","","","","1.054","","","","has coordinates","279642","2022-11-30","08:32:55",""
"8106310","15.333","0.011","14.146","0.011","17.64","0.013","90","","90","","90","","3826","5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","1","","Song, Ji-Dong; Wang, Li-Li","Crystal structure of ethyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C22H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","823","824","10.1515/ncrs-2018-0036","","","0.71073","MoKα","","0.1042","0.0533","","","0.1257","0.1431","","","","","","1.04","","","","has coordinates,has disorder","279686","2022-12-05","09:37:40",""
"8106329","14.8835","0.0006","14.5551","0.0006","23.6","0.0009","90","","90","","90","","5112.5","0.4","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Bi2 O5 -","- C29 H24 Bi2 O5 -","- C232 H192 Bi16 O40 -","8","1","","Tan, Nianyuan; Dang, Limin; Lan, Donghui; Wu, Shuisheng; Au, Chak-Tong; Yi, Bing","Crystal structure of bis{5H-dibenzo[c,f][1,5]oxabismocin-12(7H)-yl} carbonate, C29H24O5Bi2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","875","877","10.1515/ncrs-2018-0067","","","0.71073","MoKα","","0.0478","0.0293","","","0.0531","0.0579","","","","","","1.011","","","","has coordinates","279721","2022-12-06","08:19:08",""
"8106352","9.995","0.004","13.845","0.005","20.213","0.007","90","","90","","90","","2797.1","1.8","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Br N2 -","- C17 H13 Br N2 -","- C136 H104 Br8 N16 -","8","1","","Zhang, Min; Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin","Crystal structure of 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine, C17H13BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","935","936","10.1515/ncrs-2018-0113","","","0.71073","MoKα","","0.0391","0.0304","","","0.0724","0.0784","","","","","","1.077","","","","has coordinates","279767","2022-12-07","08:49:41",""
"8106371","8.4167","0.0007","14.037","0.001","34.664","0.003","90","","90","","90","","4095.4","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Crystal structure of methyl 2-((1-2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate","","- C24 H21 N3 O5 -","- C24 H21 N3 O5 -","- C192 H168 N24 O40 -","8","1","","Sun, Yutong; Hong, Wei; Wang, Hao","Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","985","986","10.1515/ncrs-2018-0040","","","0.71073","MoKα","","0.079","0.0457","","","0.0895","0.1001","","","","","","1.068","","","","has coordinates","279805","2022-12-08","09:39:26",""
"8106403","17.956","0.0006","9.8553","0.0003","25.5955","0.0007","90","","90","","90","","4529.4","0.2","107.45","0.1","107.45","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","2","","Wang, Limin; Zhao, Linxiu; Qin, Tingting","Crystal stucture of 2-(tert-butyl)-6-(hydroxymethyl)-4-methylphenol, C12H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1071","1072","10.1515/ncrs-2018-0177","","x-ray","0.71073","MoKα","","0.0677","0.049","","","0.1071","0.1162","","","","","","1.061","","","","has coordinates","279906","2022-12-15","09:23:21",""
"8106459","11.151","0.002","7.0923","0.0014","29.243","0.006","90","","90","","90","","2312.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cl2 N2 O4 -","- C10 H9 Cl2 N O4 -","- C80 H72 Cl16 N8 O32 -","8","1","","Qi, Bo-Shu; Sun, Xiao-Nan; Yang, Huan-Huan; Fu, Ying; Ye, Fei","Crystal structure of 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxolane, C10H9Cl2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","137","138","10.1515/ncrs-2016-0192","","","0.71073","MoKα","","0.0712","0.0459","","","0.1223","0.1348","","","","","","1.031","","","","has coordinates","280325","2023-01-13","08:29:13",""
"8106486","9.9513","0.0006","11.3365","0.0004","14.3295","0.0012","90","","90","","90","","1616.55","0.18","105.3","","105.3","","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-methyl-2,4-dinitro-5-iodoimidzole","1-methyl-2,4-dinitro-5-iodoimidzole","","- C4 H3 I N4 O4 -","- C4 H3 I N4 O4 -","- C32 H24 I8 N32 O32 -","8","1","","Lizhen, Chen; Pengbao, Lian; Jianlong, Wang","The crystal structure of 1-methyl-2,4-dinitro-5-iodoimidazole, C4H3IN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","213","214","10.1515/ncrs-2016-0209","","","0.7107","MoKα","","0.0306","0.0279","","","0.0667","0.0684","","","","","","1.105","","","","has coordinates","280381","2023-01-17","10:20:26",""
"8106532","11.6532","0.001","20.1493","0.0018","22.609","0.002","90","","90","","90","","5308.7","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Co N4 O5 -","- C29 H30 Co N4 O5 -","- C232 H240 Co8 N32 O40 -","8","1","","Han, Min-Le; Wang, San-Tai; Zhou, Zhe","Crystal structure of poly-[(μ2-((1,3-bis(benzimidazol-1-yl)propane-κ2 N:N′)(μ2-4-tert-butyl-phthalato-κ2 O:O′)cobalt(II)] monohydrate, C29H30CoN4O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","347","349","10.1515/ncrs-2016-0252","","","0.71073","MoKα","","0.0615","0.0363","","","0.0791","0.0909","","","","","","1.027","","","","has coordinates,has disorder","280505","2023-01-21","09:39:13",""
"8106559","15.1714","0.0003","14.061","0.0003","15.9365","0.0003","90","","90","","90","","3399.65","0.12","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 F I N2 -","- C19 H16 F I N2 -","- C152 H128 F8 I8 N16 -","8","1","","Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You; Yuan, Lin","Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16FIN2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","429","430","10.1515/ncrs-2016-0301","","","0.71073","MoKα","","0.0374","0.0295","","","0.0732","0.0787","","","","","","1.038","","","","has coordinates","280535","2023-01-23","10:43:23",""
"8106603","14.8532","0.0007","11.3579","0.0006","22.1712","0.0018","90","","90","","90","","3740.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Zhang, Chang-Hu","Crystal structure of 2-amino-4-(4-isopropyl-phenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2-c]chromene, C22H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","565","566","10.1515/ncrs-2016-0340","","","0.71073","MoKα","","0.0907","0.0596","","","0.144","0.1653","","","","","","1.04","","","","has coordinates,has disorder","280636","2023-01-27","09:50:43",""
"8106605","22.593","0.007","7.22","0.002","26.225","0.008","90","","90","","90","","4278","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 N4 O7 Zn -","- C20 H12 Br2 N4 O7 Zn -","- C160 H96 Br16 N32 O56 Zn8 -","8","1","","Hong, Yong; Xu, Shijuan; Liu, Wei","Crystal structure of monoaqua-[6,6′-((1E,1′E)-(1,2-phenylene bis(azanylylidene))bis(methanylylidene))bis(4-bromo-2-nitrophenolato-κ4 N,N′,O,O′)]zinc(II), C20H12Br2N4O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","571","572","10.1515/ncrs-2016-0343","","","0.71073","MoKα","","0.1449","0.0757","","","0.1513","0.1666","","","","","","1.004","","","","has coordinates","280638","2023-01-27","10:22:16",""
"8106723","13.907","0.003","10.927","0.002","19.194","0.004","90","","90","","90","","2916.8","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H17 Cl2 N2 Na O9 -","- C7 H17 Cl2 N2 Na O9 -","- C56 H136 Cl16 N16 Na8 O72 -","8","1","","Liu, Mei-Ying","Crystal structure of 1-methyl-1,4-diazabicyclo[2.2.2]octan-1-ium poly[aqua-bis(μ2-perchlorato-κ3 O,O′:O′′)sodium], C7H17Cl2N2NaO9","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","927","928","10.1515/ncrs-2017-0083","","","0.71073","MoKα","","0.0613","0.0472","","","0.1066","0.1129","","","","","","1.077","","","","has coordinates","280824","2023-02-08","10:12:51",""
"8106725","19.556","0.004","20.105","0.004","20.573","0.004","90","","90","","90","","8089","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21.5 H64 N19 O10.5 -","- C21.5 H64 N19 O10.5 -","- C172 H512 N152 O84 -","8","1","","Zhu, Xin; Liu, Xianghua","Crystal structure of dodecaguanidinium bis(tetrapropylammonium) heptacarbonate, C43H128N38O21","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","931","933","10.1515/ncrs-2017-0086","","","0.71073","MoKα","","0.1397","0.0592","","","0.0932","0.1028","","","","","","0.936","","","","has coordinates","280826","2023-02-08","10:17:54",""
"8106745","9.13","0.0018","16.17","0.003","24","0.005","90","","90","","90","","3543.2","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Crystal structure of 1,3-dimethyl-5,5-disbenzyl barbituric acid","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Wei, Ya-Nan; Li, Chuan-Bi; Li, Xue; Sun, Han-Yang","Crystal structure of 1,3-dimethyl-5,5-dibenzylbarbituric acid, C20H20N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","993","994","10.1515/ncrs-2017-0124","","","0.71073","MoKα","","0.0676","0.0478","","","0.1274","0.1434","","","","","","1.029","","","","has coordinates","280848","2023-02-09","10:20:22",""
"8106748","10.1313","0.0003","8.5416","0.0004","20.4597","0.0007","90","","90","","90","","1770.53","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Br N O2 -","- C8 H8 Br N O2 -","- C64 H64 Br8 N8 O16 -","8","1","","Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Morawiak, Maja; Sobótka-Polska, Karolina; Urbańczyk-Lipkowska, Zofia","The crystal structure of methyl N-(4-bromophenyl)carbamate, C8H8BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1003","1004","10.1515/ncrs-2017-0130","","","1.54178","CuKα","","0.0453","0.0394","","","0.112","0.1214","","","","","","1.079","","","","has coordinates","280851","2023-02-09","10:31:26",""
"8106758","12.2422","0.0016","7.1996","0.001","39.037","0.005","90","","90","","90","","3440.7","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Zhang, Zhi-Mao; Chen, Lian-Hui","The crystal structure of N,N-dimethyl-2,6-di-p-tolylpyrimidin-4-amine, C20H21N3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1029","1030","10.1515/ncrs-2017-0161","","","0.71073","MoKα","","0.0786","0.0686","","","0.1663","0.1723","","","","","","1.164","","","","has coordinates","280862","2023-02-13","08:40:41",""
"8106783","14.5349","0.0005","17.3183","0.0005","20.8872","0.0007","90","","90","","90","","5257.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N4 O9 Zn -","- C27 H25 N4 O9 Zn -","- C216 H200 N32 O72 Zn8 -","8","1","","Xiao-Ling, Li; Ke-Qiang, Wang; Zhao-Xiao, Li; Xue, Zhang","Crystal structure of diaqua(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2 N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ2 N,O)dizinc(II), C54H50N8O18Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","53","55","10.1515/ncrs-2014-9119","","","0.71073","MoKα","","0.0551","0.0401","","","0.1088","0.1185","","","","","","1.049","","","","has coordinates","281186","2023-03-01","08:07:23",""
"8106918","9.5358","0.0012","13.2415","0.0016","23.621","0.003","90","","90","","90","","2982.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6.66 N12 O12.33 -","- C6 H6.6666 N12 O12.3333 -","- C48 H53.3328 N96 O98.6664 -","8","1","","Yu, Yuehai; Jin, Shaohua; Zhu, Jiaping; Li, Lijie; Chen, Shusen; Shu, Qinghai","Crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5·5·0·05·9·03·11]dodecane 1/3 hydrate, C6H8N12O13","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","491","492","10.1515/ncrs-2015-0156","","","0.71073","MoKα","","0.0466","0.0374","","","0.0922","0.0988","","","","","","1.031","","","","has coordinates","281810","2023-03-10","10:15:33",""
"8106930","16.811","0.003","14.357","0.003","17.523","0.003","90","","90","","90","","4229.3","1.4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ^3^,4-\ diazaphosphasiletidine","","- C19.88 H27.64 Cl1.12 N2 P Si -","- C19.879 H27.637 Cl1.121 N2 P Si -","- C159.032 H221.096 Cl8.968 N16 P8 Si8 -","8","1","","Breuers, Verena; Frank, Walter","The crystal structure of 2-chloro-1,3-bis(2,4,6-trimethylphenyl)-4,4-dimethyl-1,3,2λ3,4-diazaphosphasiletidine","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","529","532","10.1515/ncrs-2015-0176","","","0.71073","MoKα","","0.0426","0.0387","","","0.1066","0.1089","","","","","","1.103","","","","has coordinates,has disorder","281842","2023-03-13","10:29:17",""
"8106949","12.0579","0.0007","11.1213","0.0005","21.9741","0.0013","90","","90","","90","","2946.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 S -","- C17 H22 N2 S -","- C136 H176 N16 S8 -","8","1","","Al-Wahaibi, Lamya H.; Ghabbour, Hazem A.; Mostafa, Gamal A. E.; Almutairi, Maha S.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","593","595","10.1515/ncrs-2015-0205","","","0.71073","MoKα","","0.0743","0.047","","","0.1027","0.1125","","","","","","1.046","","","","has coordinates","282000","2023-03-23","09:00:50",""
"8106966","16.2353","0.0011","16.8474","0.0012","36.028","0.002","90","","90","","90","","9854.5","1.1","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C416 H384 N128 O64 -","32","4","","Pansuriya, Pramod B.; Patel, Chintan; Friedrich, Holger B.; Maguire, Glenn E. M.","Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","649","652","10.1515/ncrs-2015-0229","","","0.71073","MoKα","","0.1138","0.0903","","","0.1746","0.1773","","","","","","2.578","","","","has coordinates","282017","2023-03-23","10:09:26",""
"8106983","17.2134","0.0006","8.2251","0.0002","22.522","0.0007","90","","90","","90","","3188.71","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C136 H168 Cl8 N16 S8 -","8","1","","Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; AlRabiah, Haitham; Al-Abdullah, Ebtehal S.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, C17H21ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","707","709","10.1515/ncrs-2015-0241","","","0.71073","MoKα","","0.0551","0.0371","","","0.0867","0.0933","","","","","","1.066","","","","has coordinates","282045","2023-03-24","10:17:08",""
"8106986","10.3868","0.0009","7.7695","0.0007","26.576","0.002","90","","90","","90","","2144.7","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Xiao, Zheng-Kang; Lu, Jian-Mei","Crystal structure of 3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one, C14H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","719","720","10.1515/ncrs-2015-0244","","","0.71073","MoKα","","0.0401","0.0348","","","0.0878","0.0911","","","","","","1.069","","","","has coordinates","282048","2023-03-24","10:26:19",""
"8107032","10.1973","0.0003","9.9487","0.0004","23.1332","0.0008","90","","90","","90","","2346.86","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C88 H112 N16 O24 S8 -","8","1","","Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A.","Crystal structure of (Z)-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, C11H14N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","867","869","10.1515/ncrs-2015-0297","","","0.71073","MoKα","","0.0611","0.0527","","","0.1341","0.1407","","","","","","1.042","","","","has coordinates","282386","2023-04-05","07:53:18",""
"8107074","9.8658","0.0007","11.7298","0.0009","31.96","0.002","90","","90","","90","","3698.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 S -","- C21 H29 N3 S -","- C168 H232 N24 S8 -","8","1","","Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Alkahtani, Hamad M.; Al-Tamimi, Abdul-Malek S.; El-Emam, Ali A.","Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","991","993","10.1515/ncrs-2016-0056","","","0.71073","MoKα","","0.0703","0.0644","","","0.1631","0.1684","","","","","","1.056","","","","has coordinates","282518","2023-04-07","08:14:32",""
"8107086","17.0675","0.0007","8.3422","0.0003","22.597","0.0008","90","","90","","90","","3217.4","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Br N2 S -","- C17 H21 Br N2 S -","- C136 H168 Br8 N16 S8 -","8","1","","Al-Omary, Fatmah A. M.; Al-Rasheed, Lamees S.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl)thiourea, C17H21BrN2S","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1033","1035","10.1515/ncrs-2016-0037","","","0.71073","MoKα","","0.0647","0.0329","","","0.0637","0.0724","","","","","","1.026","","","","has coordinates","282730","2023-04-19","09:01:35",""
"8107087","8.1023","0.0002","18.7063","0.0004","22.5509","0.0006","90","","90","","90","","3417.91","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl2 N2 O -","- C18 H20 Cl2 N2 O -","- C144 H160 Cl16 N16 O8 -","8","1","","Aljohar, Haya I.; Ghabbour, Hazem A.; Abdelbaky, Mohammed S.M.; Garcia-Granda, Santiago; El-Emam, Ali A.","Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1037","1039","10.1515/ncrs-2016-0038","","","1.5418","CuKα","","0.0558","0.0496","","","0.147","0.1535","","","","","","1.056","","","","has coordinates","282731","2023-04-19","09:07:48",""
"8107091","6.774","0.0014","12.309","0.003","32.776","0.007","90","","90","","90","","2732.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cr N2 O9 -","- C11 H13 Cr N2 O9 -","- C88 H104 Cr8 N16 O72 -","8","1","","Xie, Ling; Feng, Sisi; Lu, Liping; Zhu, Miaoli","The crystal structure of diaqua-(N-(2-hydroxy-5-nitrobenzyl)iminodiacetato-κ4-N,O,O′,O′′)chromium(III) based on synchrotron data, C11H13CrN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1047","1049","10.1515/ncrs-2016-0045","","","0.72","Synchrotron","","0.0337","0.0302","","","0.0843","0.0867","","","","","","1.048","","","","has coordinates","282737","2023-04-19","09:21:22",""
"8107094","10.8433","0.0005","11.8395","0.0005","18.7871","0.0008","90","","90","","90","","2411.87","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-oxalato-κ^2^O,O:κ^2^O',O'-bis[(bromido)(η^6^-<i>p</i>-cymene)-osmium(II)]","","- C22 H28 Br2 O4 Os2 -","- C22 H28 Br2 O4 Os2 -","- C88 H112 Br8 O16 Os8 -","4","0.5","","Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas","Crystal structure of dibromido μ-oxalato-κ2 O,O′:κ2 O′′,O′′′−η6-p-cymenediosmium(II), C22H28Br2O4Os2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1055","1056","10.1515/ncrs-2016-0048","","","0.71073","MoKα","","0.0555","0.0511","","","0.1041","0.1061","","","","","","1.381","","","","has coordinates","282762","2023-04-20","08:15:44",""
"8107098","10.7388","0.0006","9.8449","0.0005","21.1259","0.0014","90","","90","","90","","2233.5","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Alotaibi, Mohammad Hayal; Kariuki, Benson M.","Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1065","1066","10.1515/ncrs-2016-0052","","","0.71073","MoKα","","0.09","0.0582","","","0.1533","0.1795","","","","","","1.036","","","","has coordinates","282766","2023-04-20","08:28:17",""
"8107147","15.894","0.003","7.6064","0.0016","21.571","0.004","90","","90","","90","","2607.9","0.9","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Br O4 -","- C13 H15 Br O4 -","- C104 H120 Br8 O32 -","8","1","","Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan; Zhang, Min","Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1209","1210","10.1515/ncrs-2016-0136","","","0.71073","MoKα","","0.033","0.0268","","","0.0668","0.0702","","","","","","1.044","","","","has coordinates","283620","2023-05-09","08:39:02",""
"8107151","10.606","0.001","7.742","0.001","12.845","0.002","90","","90","","90","","1054.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 K Li Mo O5 -","- H2 K Li Mo O5 -","- H16 K8 Li8 Mo8 O40 -","8","1","","Park, Garam; Oh, In-Hwan; Kyeong Yu, Su; Park, Hyun-Min; Kim, Ho-Sung","Redetermination of the crystal structure of potassium lithium molybdate monohydrate, KLiMoO4·H2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1221","1222","10.1515/ncrs-2016-0141","","","0.71073","MoKα","","0.0447","0.0333","","","0.0748","0.0795","","","","","","1.179","","","","has coordinates","283624","2023-05-09","08:54:22",""
"8107178","7.8555","0.0003","21.6645","0.0007","23.7584","0.0008","90","","90","","90","","4043.3","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl4 N2 O3 V -","- C18 H16 Cl4 N2 O3 V -","- C144 H128 Cl32 N16 O24 V8 -","8","1","","Wei, Wei; Zhang, Ya-Zhai; Zhang, Heng-Qiang; Zhang, Qi-Ying; Xuan, Zhao-Kun; Chen, Hong-Li","The crystal structure of bis(4-chloro-2-(((2-chloroethyl)imino)methyl)phenolato-κ2 N,O)-oxidovanadium(IV), C18H16Cl4N2O3V","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","651","653","10.1515/ncrs-2022-0179","","","0.71073","MoKα","","0.0389","0.0296","","","0.0739","0.0799","","","","","","1.038","","","","has coordinates","283680","2023-05-11","07:12:42",""
"8107251","11.017","0.005","12.14","0.005","23.346","0.01","90","","90","","90","","3122","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","","Li, Chongyu","Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","917","919","10.1515/ncrs-2022-0330","","","0.71073","MoKα","","0.0771","0.0498","","","0.1219","0.145","","","","","","1.046","","","","has coordinates,has disorder","283957","2023-05-23","08:27:21",""
"8107255","7.7316","0.0006","24.8021","0.0019","26.074","0.002","90","","90","","90","","4999.9","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl2 N6 O4 -","- C26 H20 Cl2 N6 O4 -","- C208 H160 Cl16 N48 O32 -","8","1","","Tong, Jian-Ying; Sun, Na-Bo; Han, Liang; Liu, Xing-Hai","Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","929","931","10.1515/ncrs-2022-0270","","","0.71073","MoKα","","0.1146","0.0674","","","0.1437","0.1625","","","","","","1.066","","","","has coordinates","283963","2023-05-23","09:08:39",""
"8107267","14.8062","0.0002","15.8918","0.0002","20.0121","0.0003","90","","90","","90","","4708.79","0.11","296.2","0.5","296.2","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H34 N2 -","- C26 H34 N2 -","- C208 H272 N16 -","8","1","","Liu, Yingfan; Zhao, Zhiqiang","Crystal structure of (Z)-2-(tert-butyl)-5-((5-(tert- butyl)-2H-pyrrol-2-ylidene)(mesityl)methyl)-1H-pyrrole, C26H34N2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","971","974","10.1515/ncrs-2022-0307","","x-ray","1.54184","CuKα","","0.0608","0.0548","","","0.1618","0.1701","","","","","","1.057","","","","has coordinates,has disorder","284064","2023-05-30","08:20:42",""
"8107275","18.909","0.004","16.149","0.003","26.05","0.005","90","","90","","90","","7955","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cd3 I2 N4 O8 -","- C36 H36 Cd3 I2 N4 O8 -","- C288 H288 Cd24 I16 N32 O64 -","8","1","","Hu, Jin; Lu, Xin-Hua","Crystal structure of diiodido-bis(6,6′-dimethoxy-2,2′-(ethane-1,2-diylbis(nitrilomethanylylidene)) diphenolato)tricadmium(II), C36H36Cd3I2N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","997","999","10.1515/ncrs-2022-0313","","","0.71073","MoKα","","0.0458","0.0439","","","0.0746","0.0752","","","","","","1.335","","","","has coordinates,has disorder","284092","2023-05-31","09:18:34",""
"8107299","10.9913","0.0004","11.0451","0.0005","30.3925","0.0014","90","","90","","90","","3689.6","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F5 N2 O3 -","- C20 H15 F5 N2 O3 -","- C160 H120 F40 N16 O24 -","8","1","","Wu, Yundeng; Xie, Jun; Wan, Hui; Xu, Xiangyang; Li, Jian","The crystal structure of 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione, C20H15F5N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1083","1085","10.1515/ncrs-2022-0391","","","0.71073","MoKα","","0.0519","0.036","","","0.082","0.0927","","","","","","1.053","","","","has coordinates","284155","2023-06-02","09:20:42",""
"8107301","7.7117","0.0002","18.7735","0.0004","24.8518","0.0004","90","","90","","90","","3597.93","0.13","212.99","0.1","212.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 Cu N2 O2 -","- C20 H12 Br2 Cu N2 O2 -","- C160 H96 Br16 Cu8 N16 O16 -","8","1","","Yang, Jiao; Xu, Jiajun; Liao, Nichan; Wu, Qiong","[2,2′-{Ethane-1,2-diylbis[(azanylylidene)methanylylidene]}bis(3-bromo-2-hydroxyphenyl)]iron(III) nitrate, C20H12Br2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1091","1092","10.1515/ncrs-2022-0297","","x-ray","1.54184","CuKα","","0.0507","0.0399","","","0.1073","0.1125","","","","","","1.097","","","","has coordinates","284349","2023-06-05","08:52:39",""
"8107366","11.0571","0.0002","8.1172","0.0002","17.608","0.0004","90","","90","","90","","1580.37","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,5-diamino-benzoic-acid-methyl-ester","Methyl-3,5-diaminobenzoate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","","Gardiner, John M.; Raftery, James; Beadham, Ian G.; Azarah, Jannat N.; Abu-Foul, Mohammed Y.; Awadallah, Adel M.; Morjan, Rami Y.","The crystal structure of methyl 3,5-diaminobenzoate, C8H10N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","109","110","10.1515/ncrs-2022-0485","","","1.54178","CuKα","","0.037","0.0324","","","0.0842","0.0872","","","","","","1.06","","","","has coordinates","284471","2023-06-15","07:45:45",""
"8107384","7.67","0.004","15.679","0.008","29.17","0.017","90","","90","","90","","3508","3","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C160 H144 N32 O32 -","8","1","","Shin, Soon Young; Koh, Dongsoo","The crystal structure of 2-(7-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]-pyrimidin-5-yl)-3-methoxyphenol, C20H18N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","167","169","10.1515/ncrs-2022-0534","","","0.71073","MoKα","","0.059","0.0497","","","0.1301","0.1379","","","","","","1.057","","","","has coordinates","284490","2023-06-16","07:49:38",""
"8107433","8.0862","0.0001","15.473","0.0002","23.5892","0.0002","90","","90","","90","","2951.43","0.06","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F3 N6 O3 -","- C14 H11 F3 N6 O3 -","- C112 H88 F24 N48 O24 -","8","1","","Du, Yi-Jing; Sun, Hong-Shun; Wang, Jian-Qiang; Xu, Jia-Ying","The crystal structure of 1-((1-methyl-1H-1,2,4-triazol-3-yl) methyl)-3-(2,4,5-trifluorobenzyl)-1,3,5-triazinane-2,4,6-trione, C14H11F3N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","339","340","10.1515/ncrs-2023-0010","","","1.54178","CuKα","","0.0503","0.0463","","","0.1337","0.1395","","","","","","1.044","","","","has coordinates","284822","2023-07-05","07:29:43",""
"8107448","13.8082","0.0004","9.7555","0.0003","21.8116","0.0007","90","","90","","90","","2938.15","0.16","293","0.1","293","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F N2 O2 -","- C18 H13 F N2 O2 -","- C144 H104 F8 N16 O16 -","8","1","","Siyuan, Ma; Mengping, Guo","The crystal structure of 1-(2-fluorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-carbonitrile, C18H13FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","385","387","10.1515/ncrs-2023-0031","","x-ray","1.54184","CuKα","","0.0504","0.0402","","","0.1034","0.1131","","","","","","1.022","","","","has coordinates","285114","2023-07-10","08:51:06",""
"8107460","9.5299","0.0006","16.5181","0.0009","36.886","0.002","90","","90","","90","","5806.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H45 N9 O3 S2 -","- C21 H45 N9 O3 S2 -","- C168 H360 N72 O24 S16 -","8","1","","Tang, Huawei; Han, Qianqian; Liu, Lijuan","Tetrabutylammonium 1,3,5-thiadiazole-5-amido-2-carbamate—1,2,4-thiadiazole-3,5-diamine— water (1/1/1), C21H45N9O3S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","429","431","10.1515/ncrs-2022-0583","","","0.71073","MoKα","","0.0669","0.0568","","","0.1361","0.142","","","","","","1.142","","","","has coordinates","285143","2023-07-11","07:20:18",""
"8107521","11.08447","0.00014","10.71473","0.00016","19.5463","0.0003","90","","90","","90","","2321.46","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2- carboxylic acid, C11H12N2O4S,C~11~H~12~N~2~O~4~S~1~","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C88 H96 N16 O32 S8 -","8","1","","Song, Jinqing; Cui, Beibei; Mi, Xia; Zhang, Jingyu","Crystal structure of 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C11H12N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","653","654","10.1515/ncrs-2023-0133","","x-ray","1.54184","CuKα","","0.0497","0.045","","","0.1217","0.1275","","","","","","1.047","","","","has coordinates","286410","2023-09-19","08:38:29",""
"8107534","15.1264","0.0004","15.1167","0.0005","20.15","0.0006","90","","90","","90","","4607.5","0.2","150","2","150.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N3 O4 Re S -","- C23 H24 N3 O4 Re S -","- C184 H192 N24 O32 Re8 S8 -","8","1","","Makhakhayi, Luleka; Malan, Frederick P.; Tembu, Vuyelwa J.; Nkambule, Comfort M.; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","697","699","10.1515/ncrs-2023-0157","","","0.71073","MoKα","","0.0586","0.0416","","","0.0659","0.0691","","","","","","1.16","","","","has coordinates","286503","2023-09-25","08:44:37",""
"8107592","15.3055","0.0002","15.1214","0.0002","18.1048","0.0002","90","","90","","90","","4190.19","0.09","296.72","0.1","296.72","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mg N4 O6 -","- C22 H18 Mg N4 O6 -","- C176 H144 Mg8 N32 O48 -","8","1","","Xi-Shi, Tai; Hong-Chang, Li","The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ 3 N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","887","889","10.1515/ncrs-2023-0257","","x-ray","1.54184","CuKα","","0.0423","0.0376","","","0.1032","0.1069","","","","","","1.012","","","","has coordinates","286873","2023-10-10","07:35:10",""
"8107610","9.6732","0.0003","15.5602","0.0005","19.0881","0.0006","90","","90","","90","","2873.08","0.16","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 Cl2 F N2 -","- C16 H11 Cl2 F N2 -","- C128 H88 Cl16 F8 N16 -","8","1","","Li, Yiting; Zhang, Xiaochun; Weng, Xingshang; Zhuang, Xuewen","The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","957","958","10.1515/ncrs-2023-0297","","x-ray","1.34139","GaKα","","0.0467","0.0361","","","0.0898","0.0958","","","","","","1.04","","","","has coordinates","286913","2023-10-12","08:00:32",""
"8107633","8.7507","0.0001","15.8341","0.0002","29.9642","0.0004","90","","90","","90","","4151.82","0.09","","","150","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Au Cl N2 -","- C24 H26 Au -","- C192 H208 Au8 -","8","1","","Huang, Yao-Huei; Lee, Hon Man","Crystal structure of chlorido-(1,3-dimesitylimidazolidin-2-ylidene-κ1C)- gold(I), C21H26AuClN2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","7","8","10.1515/ncrs-2014-9080","","x-ray","0.71073","MoKα","","","0.0204","","","0.0403","","","","","","","","","","","has coordinates","287123","2023-10-26","07:49:28",""
"8107644","15.954","0.0019","7.7489","0.0009","17.811","0.002","90","","90","","90","","2201.9","0.4","","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","poly[mu4-2,6-dimethyl-pyridine-3,5-dicarboxylate- k6O,O':O',O'',O''':O'''] calcium(II)","","","- C9 H11 Ca N O6 -","- C9 H11 Ca N O6 -","- C72 H88 Ca8 N8 O48 -","8","1","","Zhao, Yan; Li, Shi-Hui; Zhang, Li","Crystal structure of poly[μ4-2,6-dimethyl-pyridine-3,5-dicarboxylate- κ6O,O’:O’,O’’,O’’’:O’’’] calcium(II), C9H11CaNO6","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","31","32","10.1515/ncrs-2014-9068","","x-ray","0.71073","MoKα","","","0.0398","","","0.101","","","","","","","","","","","has coordinates","287510","2023-11-10","09:25:16",""
"8107684","15.5356","0.0002","9.8551","0.0002","25.5551","0.0004","90","","90","","90","","3912.61","0.11","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C160 H224 N64 -","16","2","","Dali, Zhu; Yu, Yu","Crystal structure of 6,6a,7,8,9,10-hexahydro-5H-pyrazino [2,3-e]pyrido[1,2-a]pyrazine, C10H14N4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1137","1139","10.1515/ncrs-2023-0363","","x-ray","1.54184","CuKα","","0.0918","0.0873","","","0.2435","0.2481","","","","","","1.062","","","","has coordinates,has disorder","287804","2023-11-27","08:30:11",""
"8107690","12.5254","0.0004","12.6845","0.0005","24.149","0.0011","90","","90","","90","","3836.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Cl F4 N3 O -","- C20 H18 Cl F4 N3 O -","- C160 H144 Cl8 F32 N24 O8 -","8","1","","Yu, Lu; Meng, Qing-Guo; Hou, Gui-Ge; Liu, Yong-Jun; Geng, Zi-Kai","Crystal structure of 2-amino-4-(2-fluoro-3-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1161","1163","10.1515/ncrs-2023-0374","","","1.54178","CuKα","","0.0533","0.0485","","","0.1308","0.1343","","","","","","1.027","","","","has coordinates","287828","2023-11-28","08:42:58",""
"8107716","8.2038","0.0003","19.881","0.0007","24.0661","0.0008","90","","90","","90","","3925.2","0.2","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one","","","- C21 H18 O4 S2 -","- C21 H18 O4 S2 -","- C168 H144 O32 S16 -","8","1","","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Fun, Hoong-Kun","Crystal structure of (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one, C21H18O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","61","62","10.1515/ncrs-2014-9040","","x-ray","1.54178","MoKα","","","0.049","","","0.1426","","","","","","","","","","","has coordinates","288212","2023-12-11","09:19:41",""
"9000240","18.405","","9.0338","","5.239","","90","","90","","90","","871.073","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.04 Fe1.71 Mg0.25 O6 Si2 -","- Ca0.04 Fe1.71 Mg0.25 O6 Si2 -","- Ca0.32 Fe13.68 Mg2 O48 Si16 -","8","1","","Burnham, C. W.; Ohashi, Y.; Hafner, S. S.; Virgo, D.","Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene","American Mineralogist","1971","56","","850","876","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000250","12.54","","24.327","","7.48","","90","","90","","90","","2281.85","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Aksaite","- B6 H9 Mg O15 -","- B6 H9 Mg O15 -","- B48 H72 Mg8 O120 -","8","1","","Dal Negro, A.; Ungaretti, L.; Sabelli, C.","The crystal structure of aksaite","American Mineralogist","1971","56","","1553","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000258","5.753","","5.799","","11.407","","90","","90","","90","","380.556","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Pararammelsbergite","- As2 Ni -","- As2 Ni -","- As16 Ni8 -","8","1","","Fleet, M. E.","The crystal structure of pararammelsbergite (NiAs2)","American Mineralogist","1972","57","","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000353","18.337","","8.971","","5.232","","90","","90","","90","","860.67","","","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.032 Fe1.331 Mg0.636 O6 Si2 -","- Ca0.032 Fe1.331 Mg0.636 O6 Si2 -","- Ca0.256 Fe10.648 Mg5.088 O48 Si16 -","8","1","","Smyth, J. R.","An orthopyroxene structure up to 850 C T = 20 C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000354","18.364","","8.988","","5.238","","90","","90","","90","","864.561","","","","448.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.032 Fe1.332 Mg0.635 O6 Si2 -","- Ca0.032 Fe1.332 Mg0.635 O6 Si2 -","- Ca0.256 Fe10.656 Mg5.08 O48 Si16 -","8","1","","Smyth, J. R.","An orthopyroxene structure up to 850 C T = 175 C note temperature factors for O1b appear incorrect","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000355","18.371","","9","","5.242","","90","","90","","90","","866.707","","","","553.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.032 Fe1.331 Mg0.636 O6 Si2 -","- Ca0.032 Fe1.331 Mg0.636 O6 Si2 -","- Ca0.256 Fe10.648 Mg5.088 O48 Si16 -","8","1","","Smyth, J. R.","An orthopyroxene structure up to 850 C T = 280 C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000356","18.429","","9.028","","5.26","","90","","90","","90","","875.143","","","","773.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.032 Fe1.332 Mg0.635 O6 Si2 -","- Ca0.032 Fe1.332 Mg0.635 O6 Si2 -","- Ca0.256 Fe10.656 Mg5.08 O48 Si16 -","8","1","","Smyth, J. R.","An orthopyroxene structure up to 850 C T = 500 C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000357","18.483","","9.053","","5.28","","90","","90","","90","","883.484","","","","973.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.032 Fe1.332 Mg0.636 O6 Si2 -","- Ca0.032 Fe1.332 Mg0.636 O6 Si2 -","- Ca0.256 Fe10.656 Mg5.088 O48 Si16 -","8","1","","Smyth, J. R.","An orthopyroxene structure up to 850 C T = 700 C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000358","18.546","","9.081","","5.298","","90","","90","","90","","892.269","","","","1123.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Ca0.032 Fe0.65 Mg1.318 O6 Si2 -","- Ca0.032 Fe0.65 Mg1.318 O6 Si2 -","- Ca0.256 Fe5.2 Mg10.544 O48 Si16 -","8","1","","Smyth, J. R.","An orthopyroxene structure up to 850 C T = 850 C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000476","18.418","","9.078","","5.2366","","90","","90","","90","","875.552","","","","297.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Sueno, S.; Cameron, M.; Prewitt, C. T.","Orthoferrosilite: High-temperature crystal chemistry T = 24 deg C","American Mineralogist","1976","61","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000477","18.484","","9.124","","5.2593","","90","","90","","90","","886.971","","","","673.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Sueno, S.; Cameron, M.; Prewitt, C. T.","Orthoferrosilite: High-temperature crystal chemistry T = 400 deg C","American Mineralogist","1976","61","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000478","18.527","","9.145","","5.2756","","90","","90","","90","","893.842","","","","873.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Sueno, S.; Cameron, M.; Prewitt, C. T.","Orthoferrosilite: High-temperature crystal chemistry T = 600 deg C","American Mineralogist","1976","61","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000479","18.569","","9.16","","5.2974","","90","","90","","90","","901.046","","","","1073.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Sueno, S.; Cameron, M.; Prewitt, C. T.","Orthoferrosilite: High-temperature crystal chemistry T = 800 deg C","American Mineralogist","1976","61","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000480","18.596","","9.1685","","5.3113","","90","","90","","90","","905.563","","","","1173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Sueno, S.; Cameron, M.; Prewitt, C. T.","Orthoferrosilite: High-temperature crystal chemistry T = 900 deg C","American Mineralogist","1976","61","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000481","18.614","","9.172","","5.3199","","90","","90","","90","","908.254","","","","1253.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Sueno, S.; Cameron, M.; Prewitt, C. T.","Orthoferrosilite: High-temperature crystal chemistry T = 980 deg C","American Mineralogist","1976","61","","38","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000571","14.723","","18.746","","7.107","","90","","90","","90","","1961.51","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","Overite","- Al Ca H9 Mg O13 P2 -","- Al Ca H9 Mg O13 P2 -","- Al8 Ca8 H72 Mg8 O104 P16 -","8","1","","Moore, P. B.; Araki, T.","Overite, segelerite, and jahnsite: a study in combinatorial polymorphism","American Mineralogist","1977","62","","692","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000572","14.826","","18.751","","7.307","","90","","90","","90","","2031.36","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","Segelerite","- Ca Fe H9 Mg O13 P2 -","- Ca Fe H9 Mg O13 P2 -","- Ca8 Fe8 H72 Mg8 O104 P16 -","8","1","","Moore, P. B.; Araki, T.","Overite, segelerite, and jahnsite: a study in combinatorial polymorphism","American Mineralogist","1977","62","","692","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000674","18.626","","27.23","","5.297","","90","","90","","90","","2686.56","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Jimthompsonite","- Fe1.108 H2 Mg3.892 O18 Si6 -","- Fe1.108 Mg3.892 O18 Si6 -","- Fe8.864 Mg31.136 O144 Si48 -","8","1","","Veblen, D. R.; Burnham, C. W.","New biopyriboles from Chester, Vermont: II. The crystal chemistry of jimthompsonite, clinojimthompsonite, and chesterite, and the amphibole-mica reaction","American Mineralogist","1978","63","","1053","1073","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9000918","18.384","","8.878","","5.226","","90","","90","","90","","852.952","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Mg1.47 Mn0.53 O6 Si2 -","- Mg1.47 Mn0.53 O6 Si2 -","- Mg11.76 Mn4.24 O48 Si16 -","8","1","","Petersen, E. U.; Anovitz, L. M.; Essene, E. J.","Donpeacorite, (Mn,Mg)MgSi2O6, a new orthopyroxene and its proposed phase relations in the system MnSiO3-MgSiO3-FeSiO3","American Mineralogist","1984","69","","472","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000957","19.011","","9.084","","5.415","","90","","90","","90","","935.148","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge16 Mg16 O48 -","16","2","","Yamanaka, T.; Hirano, M.; Takeuchi, Y.","A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type","American Mineralogist","1985","70","","365","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9000958","18.829","","8.952","","5.347","","90","","90","","90","","901.275","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ge Mg O3 -","- Ge Mg O3 -","- Ge16 Mg16 O48 -","16","2","","Yamanaka, T.; Hirano, M.; Takeuchi, Y.","A high temperature transition in MgGeO3 from clinopyroxene (C2/c) type to orthopyroxene (Pbca) type","American Mineralogist","1985","70","","365","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001178","18.28","","8.834","","5.197","","90","","90","","90","","839.24","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.052 Mg1.948 O6 Si2 -","- Ca0.052 Mg1.948 O6 Si2 -","- Ca0.416 Mg15.584 O48 Si16 -","8","1","","Carlson, W. D.; Swinnea, J. S.; Miser, D. E.","Stability of orthoenstatite at high temperature and low pressure","American Mineralogist","1988","73","","1255","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001208","18.241","","8.804","","5.198","","90","","90","","90","","834.766","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.106 Mg0.894 O3 Si -","- Fe0.106 Mg0.894 O3 Si -","- Fe1.696 Mg14.304 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, natural","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001209","18.244","","8.805","","5.196","","90","","90","","90","","834.677","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.105 Mg0.895 O3 Si -","- Fe0.105 Mg0.895 O3 Si -","- Fe1.68 Mg14.32 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 3 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001210","18.243","","8.808","","5.197","","90","","90","","90","","835.077","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.108 Mg0.893 O3 Si -","- Fe0.1075 Mg0.8925 O3 Si -","- Fe1.72 Mg14.28 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 10 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001211","18.244","","8.805","","5.196","","90","","90","","90","","834.677","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.105 Mg0.895 O3 Si -","- Fe0.105 Mg0.895 O3 Si -","- Fe1.68 Mg14.32 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1050 C, 90 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001212","18.246","","8.809","","5.197","","90","","90","","90","","835.309","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.106 Mg0.893 O3 Si -","- Fe0.1065 Mg0.8935 O3 Si -","- Fe1.704 Mg14.296 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 2 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001213","18.242","","8.803","","5.198","","90","","90","","90","","834.717","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.106 Mg0.893 O3 Si -","- Fe0.1065 Mg0.8935 O3 Si -","- Fe1.704 Mg14.296 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le4A, 1150 C, 10 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001214","18.246","","8.828","","5.189","","90","","90","","90","","835.822","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.085 Mg0.915 O3 Si -","- Fe0.085 Mg0.915 O3 Si -","- Fe1.36 Mg14.64 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, natural","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001215","18.25","","8.83","","5.19","","90","","90","","90","","836.356","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.084 Mg0.916 O3 Si -","- Fe0.084 Mg0.916 O3 Si -","- Fe1.344 Mg14.656 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 3 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001216","18.25","","8.829","","5.191","","90","","90","","90","","836.422","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.086 Mg0.914 O3 Si -","- Fe0.0855 Mg0.9145 O3 Si -","- Fe1.368 Mg14.632 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 10 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001217","18.248","","8.831","","5.189","","90","","90","","90","","836.197","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.086 Mg0.914 O3 Si -","- Fe0.0855 Mg0.9145 O3 Si -","- Fe1.368 Mg14.632 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1050 C, 90 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001218","18.248","","8.832","","5.192","","90","","90","","90","","836.776","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.087 Mg0.913 O3 Si -","- Fe0.0875 Mg0.9125 O3 Si -","- Fe1.4 Mg14.6 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 2 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001219","18.243","","8.834","","5.19","","90","","90","","90","","836.413","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.086 Mg0.914 O3 Si -","- Fe0.0855 Mg0.9145 O3 Si -","- Fe1.368 Mg14.632 O48 Si16 -","16","2","","Molin, G. M.","Crystal-chemical study of cation disordering in Al-rich and Al-poor orthopyroxenes from spinel lherzolite xenoliths sample Le9A, 1150 C, 10 min","American Mineralogist","1989","74","","593","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001564","9.398","","9.139","","10.535","","90","","90","","90","","904.833","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Poldervaartite","- Ca1.67 H2 Mn0.33 O5 Si -","- Ca1.67 H2 Mn0.33 O5 Si -","- Ca13.36 H16 Mn2.64 O40 Si8 -","8","1","","Dai, Y. S.; Harlow, G. E.; McGhie, A. R.","Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the Kalahari manganese field, South Africa: Crystal structure and description","American Mineralogist","1993","78","","1082","1087","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001577","18.312","","8.917","","5.217","","90","","90","","90","","851.874","","","","","","","","","","synthesized at 11.3 GPa and 1600 C","synthesized at 11.3 GPa","","4","P b c a","-P 2ac 2ab","61","","","Pyroxene","- Fe0.44 Mg0.56 O3 Si -","- Fe0.44 Mg0.56 O3 Si -","- Fe7.04 Mg8.96 O48 Si16 -","16","2","","Hazen, R. M.; Finger, L. W.; Ko, J.","Effects of pressure on Mg-Fe ordering in orthopyroxene synthesized at 11.3 GPa and 1600 C","American Mineralogist","1993","78","","1336","1339","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001593","18.233","","8.8191","","5.1802","","90","","90","","90","","832.969","","","","","","","","0","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 0 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001594","18.186","","8.782","","5.161","","90","","90","","90","","824.26","","","","","","","","1040000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 1.04 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001595","18.148","","8.756","","5.1493","","90","","90","","90","","818.244","","","","","","","","1950000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 1.95 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001596","18.1045","","8.7181","","5.1327","","90","","90","","90","","810.129","","","","","","","","3270000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 3.27 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001597","18.071","","8.6929","","5.1214","","90","","90","","90","","804.518","","","","","","","","4090000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 4.09 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001598","18.0455","","8.6708","","5.1119","","90","","90","","90","","799.853","","","","","","","","4950000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 4.95 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001599","18.011","","8.652","","5.102","","90","","90","","90","","795.051","","","","","","","","5850000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 5.85 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001600","17.983","","8.6241","","5.0902","","90","","90","","90","","789.425","","","","","","","","7000000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 7.00 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001601","17.95","","8.604","","5.08","","90","","90","","90","","784.564","","","","","","","","8100000","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hugh-Jones D A; Angel, R. J.","A compressional study of MgSiO3 orthoenstatite up to 8.5 GPa Sample: P = 8.10 GPa","American Mineralogist","1994","79","","405","410","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001641","18.2747","","8.8729","","5.1988","","90","","90","","90","","842.983","","","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 296 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001642","18.3878","","8.9577","","5.2441","","90","","90","","90","","863.768","","","","1000","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1000 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001643","18.4105","","8.9691","","5.254","","90","","90","","90","","867.57","","","","1100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1100 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001644","18.4317","","8.9822","","5.2647","","90","","90","","90","","871.609","","","","1200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1200 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001645","18.5132","","8.9809","","5.3243","","90","","90","","90","","885.246","","","","1300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.249 Mg0.751 O3 Si -","- Fe0.249 Mg0.751 O3 Si -","- Fe3.984 Mg12.016 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","A transitional structural state and anomalous Fe-Mg order-disorder in Mg-rich orthopyroxene, (Mg0.75Fe0.25)2Si2O6 T = 1300 K","American Mineralogist","1995","80","","9","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001699","18.316","","8.907","","5.218","","90","","90","","90","","851.268","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.043 Fe0.807 Mg1.15 O6 Si2 -","- Ca0.043 Fe0.807 Mg1.15 O6 Si2 -","- Ca0.344 Fe6.456 Mg9.2 O48 Si16 -","8","1","","Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.","Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.13, natural","American Mineralogist","1995","80","","923","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001700","18.32","","8.917","","5.219","","90","","90","","90","","852.573","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.043 Fe0.802 Mg1.155 O6 Si2 -","- Ca0.043 Fe0.802 Mg1.155 O6 Si2 -","- Ca0.344 Fe6.416 Mg9.24 O48 Si16 -","8","1","","Domeneghetti, M. C.; Molin, G. M.; Stimpfl, M.; Tribaudino, M.","Orthopyroxene from the Serra de Mage meteorite: Structure refinement and estimation of C2/c pyroxene contributions to apparent Pbca diffraction violations Sample: OPX SDM N.7, heated","American Mineralogist","1995","80","","923","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001749","18.316","","8.907","","5.218","","90","","90","","90","","851.268","","","","","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.028 Ca0.036 Cr0.004 Fe0.795 Mg1.134 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.224 Ca0.288 Cr0.032 Fe6.36 Mg9.072 Mn0.208 O48 Si15.888 Ti0.04 -","8","1","","Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.","Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.13, natural","American Mineralogist","1996","81","","842","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001750","18.32","","8.917","","5.219","","90","","90","","90","","852.573","","","","","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.028 Ca0.036 Cr0.004 Fe0.801 Mg1.128 Mn0.026 O6 Si1.986 Ti0.005 -","- Al0.224 Ca0.288 Cr0.032 Fe6.408 Mg9.024 Mn0.208 O48 Si15.888 Ti0.04 -","8","1","","Domeneghetti, M. C.; Tazzoli, V.; Ballaran, T. B.; Molin, G. M.","Orthopyroxene from the Serra de Mage meteorite: A structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Sample Opx SDM N.7, heated","American Mineralogist","1996","81","","842","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001891","14.1165","","41.378","","14.5347","","90","","90","","90","","8489.9","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Vandendriesscheite","- H33 O48 Pb2 U10 -","- H33 O48 Pb2 U10 -","- H264 O384 Pb16 U80 -","8","1","","Burns, P. C.","A new uranyl oxide hydrate sheet in vandendriesscheite: Implications for mineral paragenesis and the corrosion of spent nuclear fuel Locality: Shinkolobwe (Congo)","American Mineralogist","1997","82","","1176","1186","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9003378","7.4361","","8.4808","","14.348","","90","","90","","90","","904.843","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As H3 O5 Sr -","- As H3 O5 Sr -","- As8 H24 O40 Sr8 -","8","1","","Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S","Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments","American Mineralogist","2004","89","","601","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003379","7.443","","8.477","","14.38","","90","","90","","90","","907.296","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- As Ba0.11 H3 O5 Sr0.89 -","- As Ba0.11 H3 O5 Sr0.89 -","- As8 Ba0.88 H24 O40 Sr7.12 -","8","1","","Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S","Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments","American Mineralogist","2004","89","","601","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003380","7.7519","","8.759","","14.668","","90","","90","","90","","995.941","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Ba H3 O5 -","- As Ba H3 O5 -","- As8 Ba8 H24 O40 -","8","1","","Jimenez, A.; Prieto, M.; Salvado, M. A.; Garcia-Granda S","Structure and crystallization behavior of the (Ba,Sr)HAsO4.H2O solid-solution in aqueous environments","American Mineralogist","2004","89","","601","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9003425","14.58","","6.928","","4","","90","","90","","90","","404.041","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 120, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003426","14.074","","6.928","","4","","90","","90","","90","","390.019","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthopx with O3A-O3A-O3A angle = 180, O3B-O3B-O3B angle = 180, and model oxygen radius = 1 Note: Atoms Mg, Si, and O are assigned to atomic positions for convenience","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003427","18.363","","8.867","","5.119","","90","","90","","90","","833.5","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Yang and Ghose (1995) with O3A-O3A-O3A angle = 158.9, O3B-O3B-O3B angle = 139.3, and model oxygen radius = 1.302","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003428","18.535","","9.024","","5.21","","90","","90","","90","","871.424","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 1360 K after Yang and Ghose (1995) with O3A-O3A-O3A angle = 163.0, O3B-O3B-O3B angle = 149.5, and model oxygen radius = 1.317","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003429","18.363","","8.864","","5.118","","90","","90","","90","","833.055","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.7, O3B-O3B-O3B angle = 139.0, and model oxygen radius = 1.302","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003430","18.027","","8.683","","5.013","","90","","90","","90","","784.677","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Pyroxene-ideal","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Thompson, R. M.; Downs, R. T.","Model pyroxenes II: Structural variation as a function of tetrahedral rotation model orthoenstatite at 8.10 GPa after Hugh-Jones and Angel (1994) with O3A-O3A-O3A angle = 158.5, O3B-O3B-O3B angle = 136.4, and model oxygen radius = 1.276","American Mineralogist","2004","89","","614","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003574","18.3668","","8.8725","","5.2289","","90","","90","","90","","852.099","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: untreated","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003575","18.3653","","8.8819","","5.2305","","90","","90","","90","","853.193","","","","","","","","","","quenched from 980 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 980 deg C DIS","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003576","18.3686","","8.8828","","5.2287","","90","","90","","90","","853.139","","","","","","","","","","quenched from 900 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.542 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 900 deg C DIS","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003577","18.3718","","8.8836","","5.2334","","90","","90","","90","","854.131","","","","","","","","","","quenched from 904 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.509 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4326 Mn0.5094 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.4608 Mn4.0752 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 904 deg C ORD","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003578","18.3645","","8.881","","5.2284","","90","","90","","90","","852.727","","","","","","","","","","quenched from 856 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 856 deg C ORD","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9003579","18.3559","","8.8741","","5.2256","","90","","90","","90","","851.209","","","","","","","","","","quenched from 806 deg C","","","7","P b c a","-P 2ac 2ab","61","","","Donpeacorite","- Al0.003 Ca0.024 Mg1.433 Mn0.541 O6 Si1.997 Ti0.002 -","- Al0.0031 Ca0.0245 Mg1.4325 Mn0.5415 O6 Si1.9969 Ti0.0015 -","- Al0.0248 Ca0.196 Mg11.46 Mn4.332 O48 Si15.9752 Ti0.012 -","8","1","","Stimpfl, M.","The Mn, Mg-intracrystalline exchange reaction in donpeacorite (Mn0.54Ca0.03Mg1.43Si2O6) and its relation to the fractionation behavior of Mn in Fe, Mg-orthopyroxene Sample: quenched from 806 deg C ORD","American Mineralogist","2005","90","","155","161","10.2138/am.2005.1577","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:31",""
"9004029","18.2588","","8.8229","","5.1899","","90","","90","","90","","836.07","","","","","","","","100","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 0.0001 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004030","18.201","","8.768","","5.154","","90","","90","","90","","822.508","","","","","","","","1760000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 1.76 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004031","18.093","","8.75","","5.127","","90","","90","","90","","811.675","","","","","","","","3360000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.36 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004032","18.108","","8.7215","","5.12","","90","","90","","90","","808.596","","","","","","","","3940000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 3.94 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004033","18.022","","8.6578","","5.085","","90","","90","","90","","793.417","","","","","","","","6250000","","","","synthetic sample","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Gatta, G. D.; Ballaran, T. B.","The effect of Ca substitution on the elastic and structural behavior of orthoenstatite Sample: P = 6.25 GPa","American Mineralogist","2006","91","","809","815","10.2138/am.2006.1982","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004094","5.842","","5.951","","11.666","","90","","90","","90","","405.577","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Paracostibite","- Co S Sb -","- Co S Sb -","- Co8 S8 Sb8 -","8","1","","Rowland, J. F.; Gabe, E. J.; Hall, S. R.","The crystal structures of costibite (CoSbS) and paracostibite(CoSbS)","The Canadian Mineralogist","1975","13","","188","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004098","6.988","","11.201","","10.566","","90","","90","","90","","827.028","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Mroseite","- C Ca O5 Te -","- C Ca O5 Te -","- C8 Ca8 O40 Te8 -","8","1","","Fischer, R.; Pertlik, F.; Zemann, J.","The crystal structure of mroseite, CaTeO2(CO3)","The Canadian Mineralogist","1975","13","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004117","18.216","","8.813","","5.179","","90","","90","","90","","831.424","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Hawthorne, F. C.; Ito, J.","Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene","The Canadian Mineralogist","1977","15","","321","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004118","18.246","","8.839","","5.196","","90","","90","","90","","837.992","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Co0.132 Mg0.781 Mn0.087 O3 Si -","- Co0.1315 Mg0.781 Mn0.0875 O3 Si -","- Co2.104 Mg12.496 Mn1.4 O48 Si16 -","16","2","","Hawthorne, F. C.; Ito, J.","Synthesis and crystal-structure refinement of transition-metal orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene","The Canadian Mineralogist","1977","15","","321","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004137","9.174","","5.449","","5.138","","90","","90","","90","","256.844","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 25 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004138","9.175","","5.459","","5.149","","90","","90","","90","","257.894","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 280 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004139","9.191","","5.463","","5.157","","90","","90","","90","","258.935","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 425 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004140","9.211","","5.472","","5.171","","90","","90","","90","","260.632","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O2 Ti -","- O16 Ti8 -","8","1","","Meagher, E. P.; Lager, G. A.","Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperatures Sample at 625 degrees C","The Canadian Mineralogist","1979","17","","77","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004189","9.089","","12.244","","8.926","","90","","90","","90","","993.336","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","Moydite-(Y)","- C H4 B O7 Sm0.1 Y0.9 -","- C H4 B O7 Sm0.1 Y0.9 -","- C8 H32 B8 O56 Sm0.8 Y7.2 -","8","1","","Grice, J. D.; Ercit, T. S.","The crystal structure of moydite","The Canadian Mineralogist","1986","24","","675","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004230","17.415","","16.035","","13.598","","90","","90","","90","","3797.24","","","","","","","","","","","","Perus, San Paulo, Brazil","4","P b c a","-P 2ac 2ab","61","","","Phurcalite","- Ca2 O23 P2 U3 -","- Ca2 O23 P2 U3 -","- Ca16 O184 P16 U24 -","8","1","","Atencio, D.; Neumann, R.; Silva, A. J. G. C.; Mascarenhas, Y. P.","Phurcalite from Perus, San Paulo, Brazil, and redetermination of its crystal structure","The Canadian Mineralogist","1991","29","","95","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004396","9.776","","12.194","","4.43","","90","","90","","90","","528.094","","","","","","","","","","","","Himalaya mine, California, USA","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM1","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004397","9.754","","12.231","","4.434","","90","","90","","90","","528.981","","","","","","","","","","","","Susice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM2","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004398","9.678","","12.313","","4.439","","90","","90","","90","","528.974","","","","","","","","","","","","Ctidruzice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM3","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004399","9.663","","12.364","","4.44","","90","","90","","90","","530.462","","","","","","","","","","","","Kracovice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM4","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004400","9.654","","12.347","","4.4364","","90","","90","","90","","528.81","","","","","","","","","","","","Kracovice","4","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Burns, P. C.; Novak, M.; Hawthorne, F. C.","Fluorine-hydroxyl variation in hambergite: A crystal-structure study Note: sample HM5","The Canadian Mineralogist","1995","33","","1205","1213","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004908","11.762","","14.081","","14.323","","90","","90","","90","","2372.19","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mo2 O10 U -","- Cs2 Mo2 O10 U -","- Cs16 Mo16 O80 U8 -","8","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of the uranyl molybdates. XI. Crystal structures of Cs2[(UO2)(MoO4)2] and Cs2[(UO2)(MoO4)2](H2O)","The Canadian Mineralogist","2005","43","","713","720","10.2113/gscanmin.43.2.713","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005588","18.262","","8.826","","5.192","","90","","90","","90","","836.849","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.04 Mg1.96 O6 Si2 -","- Ca0.04 Mg1.96 O6 Si2 -","- Ca0.32 Mg15.68 O48 Si16 -","8","1","","Nestola, F.; Tribaudino, M.","The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D4En96","European Journal of Mineralogy","2003","15","","365","371","10.1127/0935-1221/2003/0015-0365","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005589","18.268","","8.836","","5.196","","90","","90","","90","","838.718","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.07 Mg1.93 O6 Si2 -","- Ca0.56 Mg15.44 O48 Si16 -","8","1","","Nestola, F.; Tribaudino, M.","The structure of Pbca orthopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: D7E93","European Journal of Mineralogy","2003","15","","365","371","10.1127/0935-1221/2003/0015-0365","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005776","18.225","","8.8128","","5.18","","90","","90","","90","","831.977","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Ohashi, Y.","Polysynthetically-twinned structures of enstatite and wollastonite Sample: OREN","Physics and Chemistry of Minerals","1984","10","","217","229","10.1007/BF00309314","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006337","18.251","","8.814","","5.181","","90","","90","","90","","833.438","","","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 296 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006338","18.341","","8.889","","5.219","","90","","90","","90","","850.87","","","","900","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 900 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006339","18.413","","8.929","","5.246","","90","","90","","90","","862.493","","","","1200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1200 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006340","18.456","","8.96","","5.27","","90","","90","","90","","871.478","","","","1360","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Yang, H.; Ghose, S.","High temperature single crystal X-ray diffraction studies of the ortho-proto phase transition in enstatite, Mg2Si2O6 at 1360 K Sample: T = 1360 K","Physics and Chemistry of Minerals","1995","22","","300","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006422","18.417","","9.073","","5.239","","90","","90","","90","","875.423","","","","","","","","0","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006423","18.3988","","9.0444","","5.2245","","90","","90","","90","","869.389","","","","","","","","830000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = .83 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006424","18.37","","9.006","","5.2084","","90","","90","","90","","861.679","","","","","","","","1710000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.71 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006425","18.341","","8.966","","5.1925","","90","","90","","90","","853.883","","","","","","","","2840000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.84 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006426","18.311","","8.939","","5.181","","90","","90","","90","","848.037","","","","","","","","3650000","","","","","3","P b c a","-P 2ac 2ab","61","","","Ferrosilite","- Fe O3 Si -","- Fe O3 Si -","- Fe16 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.65 GPa","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006427","18.2974","","8.904","","5.2092","","90","","90","","90","","848.683","","","","","","","","0","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006428","18.2351","","8.8492","","5.1839","","90","","90","","90","","836.505","","","","","","","","1540000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.54 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006429","18.197","","8.82","","5.171","","90","","90","","90","","829.933","","","","","","","","2500000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 2.50 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006430","18.174","","8.7953","","5.1608","","90","","90","","90","","824.932","","","","","","","","3170000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.17 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006431","18.1418","","8.7682","","5.1495","","90","","90","","90","","819.136","","","","","","","","4140000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.14 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006432","18.124","","8.754","","5.144","","90","","90","","90","","816.134","","","","","","","","4760000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.76 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006433","18.0912","","8.724","","5.1315","","90","","90","","90","","809.892","","","","","","","","5770000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 5.77 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006434","18.0665","","8.706","","5.1236","","90","","90","","90","","805.875","","","","","","","","6590000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.59 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006435","18.035","","8.682","","5.1138","","90","","90","","90","","800.718","","","","","","","","7500000","","","","","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.41 Mg0.59 O3 Si -","- Fe0.41 Mg0.59 O3 Si -","- Fe6.56 Mg9.44 O48 Si16 -","16","2","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 7.50 GPa, synthetic En60 orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006436","18.231","","8.8095","","5.1873","","90","","90","","90","","833.111","","","","","","","","0","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 0.00 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006437","18.189","","8.7765","","5.1723","","90","","90","","90","","825.684","","","","","","","","1040000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.04 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006438","18.16","","8.7503","","5.1606","","90","","90","","90","","820.047","","","","","","","","1900000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 1.90 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006439","18.115","","8.7184","","5.1472","","90","","90","","90","","812.917","","","","","","","","3000000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 3.00 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006440","18.077","","8.6907","","5.1349","","90","","90","","90","","806.702","","","","","","","","4030000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.03 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006441","18.051","","8.6683","","5.1244","","90","","90","","90","","801.822","","","","","","","","4930000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 4.93 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006442","18","","8.642","","5.115","","90","","90","","90","","795.669","","","","","","","","6010000","","","","","6","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al0.14 Ca0.012 Fe0.24 Mg1.66 O6 Si1.94 -","- Al1.12 Ca0.096 Fe1.92 Mg13.28 O48 Si15.52 -","8","1","","Hugh-Jones D A; Chopelas, A.; Angel, R. J.","Tetrahedral compression in (Mg,Fe)SiO3 orthopyroxenes Sample: P = 6.01 GPa, natural orthopyroxene","Physics and Chemistry of Minerals","1997","24","","301","310","10.1007/s002690050042","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006447","18.221","","8.89","","5.226","","90","","90","","90","","846.532","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Cu0.564 Mg1.436 O6 Si2 -","- Cu0.564 Mg1.436 O6 Si2 -","- Cu4.512 Mg11.488 O48 Si16 -","8","1","","Tachi, T.; Horiuchi, H.; Nagasawa, H.","Structure of Cu-bearing orthopyroxene, Mg(Cu.56,Mg.44)Si2O6, and behavior of Cu2+ in the orthopyroxene structure","Physics and Chemistry of Minerals","1997","24","","463","476","10.1007/s002690050061","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007548","11.49","","23.66","","8.62","","90","","90","","90","","2343.38","","","","","","","","","","","","Synthetic","5","P b c a","-P 2ac 2ab","61","","","Schertelite","- H10 Mg N2 O12 P2 -","- H10 Mg N2 O12 P2 -","- H80 Mg8 N16 O96 P16 -","8","1","","Khan, A. A.; Baur, W. H.","Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate and a discussion of the ammonium ion","Acta Crystallographica, Section B","1972","28","","683","693","10.1107/S0567740872003024","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007605","10.325","","8.953","","10.038","","90","","90","","90","","927.91","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Scorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As8 Fe8 H32 O48 -","8","1","","Kitahama, K.; Kiriyama, R.; Yoshihisa, B.","Refinement of the crystal structure of scorodite","Acta Crystallographica, Section B","1975","31","","322","324","10.1107/S056774087500266X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007613","7.472","","10.891","","16.585","","90","","90","","90","","1349.65","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Brassite","- As H9 Mg O8 -","- As H9 Mg O8 -","- As8 H72 Mg8 O64 -","8","1","","Protas, J.; Gindt, R.","Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation de la roesslerite Locality: synthetic","Acta Crystallographica, Section B","1976","32","","1460","1466","10.1107/S0567740876005566","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007618","9.822","","8.561","","9.63","","90","","90","","90","","809.75","","","","","","","","","","","","Montgomery County, Arkansas, USA","4","P b c a","-P 2ac 2ab","61","","","Variscite","- Al H4 O6 P -","- Al H4 O6 P -","- Al8 H32 O48 P8 -","8","1","","Kniep, R.; Mootz, D.; Vegas, A.","Variscite","Acta Crystallographica, Section B","1977","33","","263","265","10.1107/S056774087700329X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007632","10.203","","10.678","","10.015","","90","","90","","90","","1091.11","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","Newberyite","- H7 Mg O7 P -","- H7 Mg O7 P -","- H56 Mg8 O56 P8 -","8","1","","Abbona, F.; Boistelle, R.; Haser, R.","Hydrogen bonding in MgHPO4*3H2O (newberyite)","Acta Crystallographica, Section B","1979","35","","2514","2518","10.1107/S0567740879009791","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007872","11.238","","16.014","","14.522","","90","","90","","90","","2613.46","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 Li N2 -","- C12 H23 Li N2 -","- C96 H184 Li8 N16 -","8","1","","Hammel, A.; Schwarz, W.; Weidlein, J.","(n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*","Acta Crystallographica, Section C","1990","46","","2337","2339","10.1107/S0108270190003997","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007941","14.806","","9.078","","14.811","","90","","90","","90","","1990.73","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H8 Mg Na O10 P3 -","- H8 Mg Na O10 P3 -","- H64 Mg8 Na8 O80 P24 -","8","1","","Ouarsal, R.; Tahiri, A. A.; Lachkar, M.; Dusek, M.; Fejfarova, K.; El Bali, B.","Sodium magnesium tris(dihydrogenphosphite) monohydrate, NaMg(H2PO3)3*H2O","Acta Crystallographica, Section E","2003","59","","i33","i35","10.1107/S1600536803002757","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007943","8.3994","","8.8066","","14.137","","90","","90","","90","","1045.72","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- B4 Hg O7 -","- B4 Hg O7 -","- B32 Hg8 O56 -","8","1","","Weil, M.","HgB4O7, a member of the isotypic MIIB4O7 family (MII = Mg, Mn, Zn, Cd)","Acta Crystallographica, Section E","2003","59","","i40","i42","10.1107/S1600536803003611","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007957","11.887","","9.671","","19.493","","90","","90","","90","","2240.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Cr3 Cs2 O10 -","- Cr3 Cs2 O10 -","- Cr24 Cs16 O80 -","8","1","","Kolitsch, U.","alpha-Cs2Cr3O10","Acta Crystallographica, Section E","2003","59","","i164","i166","10.1107/S1600536803026473","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008108","10.81","","35.36","","8.16","","90","","90","","90","","3119.09","","","","","","","","","","","","Lengenbach, Binnatal, Valais, Switzerland","4","P b c a","-P 2ac 2ab","61","","","Hutchinsonite","- As5 Pb S9 Tl -","- As5 Pb S9 Tl -","- As40 Pb8 S72 Tl8 -","8","1","","Takeuchi, Y.; Ghose, S.; Nowacki, W.","The crystal structure of hutchinsonite, (Tl,Pb)2As5S9","Zeitschrift fur Kristallographie","1965","121","","321","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008125","12.035","","5.464","","5.607","","90","","90","","90","","368.712","","","","","","","","","","","","Moctezuma, Mexico","2","P b c a","-P 2ac 2ab","61","","","Tellurite","- O2 Te -","- O2 Te -","- O16 Te8 -","8","1","","Beyer, H.","Verfeinerung der kristallstruktur von tellurit, dem rhomischen TeO2","Zeitschrift fur Kristallographie","1967","124","","228","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008163","15.22","","8.22","","7.9","","90","","90","","90","","988.356","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- I2 Sr -","- I2 Sr -","- I16 Sr8 -","8","1","","Barnighausen, H.; Beck, H.; Grueninger, H. W.; Rietschel, E. T.; Schultz, N.","Neue AB2-strukturtypen mit siebenfach koordiniertem kation","Zeitschrift fur Kristallographie","1969","128","","430","430","10.1524/zkri.1969.128.16.424","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:13",""
"9008164","18.21","","8.812","","5.178","","90","","90","","90","","830.896","","","","","","","","","","","","Bishopville meteorite","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Morimoto, N.; Koto, K.","The crystal structure of orthoenstatite","Zeitschrift fur Kristallographie","1969","129","","65","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008180","19.267","","9.248","","5.477","","90","","90","","90","","975.899","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ge Mn O3 -","- Ge Mn O3 -","- Ge16 Mn16 O48 -","16","2","","Fang, J. H.; Townes, W. D.; Robinson, P. D.","The crystal structure of manganese metagermanate, MnGeO3 Note: x coordinate of O6 altered to a reasonable value","Zeitschrift fur Kristallographie","1969","130","","139","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008434","10.561","","20.585","","12.516","","90","","90","","90","","2720.96","","","","","","","","","","","","granitic pegmatites in Cerro Blanco, Tanti, Cordoba, Argentina","10","P b c a","-P 2ac 2ab","61","","","Benyacarite","- Al0.14 F0.8 Fe1.78 H23.2 K0.32 Mg0.08 Mn1.5 O32.76 P4 Ti1.56 -","- Al0.14 F0.8 Fe1.78 H23.2 K0.32 Mg0.08 Mn1.5 O32.76 P4 Ti1.56 -","- Al0.56 F3.2 Fe7.12 H92.8 K1.28 Mg0.32 Mn6 O131.04 P16 Ti6.24 -","4","0.5","","Demartin, F.; Pilati, T.; Gay, H. D.; Gramaccioli, C. M.","The crystal structure of a mineral related to paulkerrite","Zeitschrift fur Kristallographie","1993","208","","57","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008881","6.471","","8.253","","8.526","","90","","90","","90","","455.332","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Cd Sb -","- Cd8 Sb8 -","- Cd8 Sb8 -","","","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:23:34",""
"9008882","6.218","","7.741","","8.115","","90","","90","","90","","390.604","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Sb Zn -","- Sb8 Zn8 -","- Sb8 Zn8 -","","","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:23:34",""
"9009087","9.184","","5.447","","5.145","","90","","90","","90","","257.38","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","Brookite","- O2 Ti -","- O16 Ti8 -","- O16 Ti8 -","","","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","239","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9009617","10.203","","10.678","","10.015","","90","","90","","90","","1091.11","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Newberyite","- H7 Mg O7 P -","- H7 Mg O7 P -","- H56 Mg8 O56 P8 -","8","1","","Bartl, H.; Catti, M.; Joswig, W.; Ferraris, G.","Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single crystal neutron diffraction","Tschermaks Mineralogische und Petrographische Mitteilungen","1983","32","","187","194","10.1007/BF01081109","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9009834","10.854","","14.053","","7.086","","90","","90","","90","","1080.84","","","","","","","","","","","","Mine de L'Etoile, Katanga, Zaire","4","P b c a","-P 2ac 2ab","61","","","Cornetite","- Cu3 H3 O7 P -","- Cu3 H3 O7 P -","- Cu24 H24 O56 P8 -","8","1","","Eby, R. K.; Hawthorne, F. C.","Cornetite: modulated densely-packed Cu2+ oxysalt","Mineralogy and Petrology","1989","40","","127","136","10.1007/BF01164323","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010007","8.722","","9.878","","10.1187","","90","","90","","90","","871.786","","","","","","","","","","","","Kreuzberg, Pleystein, Barvaria","4","P b c a","-P 2ac 2ab","61","","","Strengite","- Fe H4 O6 P -","- Fe8 H32 O48 P8 -","- Fe8 H32 O48 P8 -","","","","Taxer, K.; Bartl, H.","On the dimorphy between the variscite and clinovariscite group: refined finestructural relationship of strengite and clinostrengite, Fe(PO4)*2H2O Note: x(O3) corrected to match reported bond lengths","Crystal Research and Technology","2004","39","","1080","1088","10.1002/crat.200410293","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:23",""
"9010154","18.259","","8.883","","5.271","","90","","90","","90","","854.928","","","","","","","","","","","","Synthetic","5","P b c a","-P 2ac 2ab","61","","","","- Li0.52 Mg0.96 O6 Sc0.52 Si2 -","- Li4.16 Mg7.68 O48 Sc4.16 Si16 -","- Li4.16 Mg7.68 O48 Sc4.16 Si16 -","","","","Yang, H.; Downs, R. T.","Synthesis and crystal structure of Li0.52Mg0.96Sc0.52Si2O6 orthopyroxene","American Mineralogist","2007","92","","225","228","10.2138/am.2007.2439","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010241","18.1876","","8.7352","","5.1789","","90","","90","","90","","822.784","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.23 Mg0.874 O3 Si0.875 -","- Al3.68 Mg13.984 O48 Si14 -","- Al3.68 Mg13.984 O48 Si14 -","","","","Smyth, J. R.; Mierdel, K.; Keppler, H.; Langenhorst, F.; Dubrovinsky, L.; Nestola, F.","Crystal chemistry of hydration in aluminous orthopyroxene","American Mineralogist","2007","92","","973","976","10.2138/am.2007.2560","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:24",""
"9010424","18.2889","","8.8662","","5.2175","","90","","90","","90","","846.034","","","","","","","","0","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 0 GPa, in air","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9010425","18.2889","","8.8662","","5.2175","","90","","90","","90","","846.034","","","","","","","","0","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 0 GPa, in air, same # of reflections as DAC crystal","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9010426","18.2804","","8.8601","","5.2161","","90","","90","","90","","844.832","","","","","","","","163000","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 0.163 GPa","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:30",""
"9010427","18.2192","","8.8111","","5.1965","","90","","90","","90","","834.2","","","","","","","","1715000","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 1.715 GPa","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:30",""
"9010428","18.1427","","8.746","","5.1716","","90","","90","","90","","820.609","","","","","","","","3947000","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 3.947 GPa","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:30",""
"9010429","18.0221","","8.6456","","5.1327","","90","","90","","90","","799.736","","","","","","","","8033000","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 8.033 GPa","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:30",""
"9010430","17.977","","8.61","","5.1227","","90","","90","","90","","792.902","","","","","","","","9562000","","","","","7","P b c a","-P 2ac 2ab","61","","","Orthopyroxene","- Al0.236 Ca0.01 Fe0.967 Mg0.923 Mn0.016 O6 Si1.848 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","- Al1.888 Ca0.08 Fe7.736 Mg7.384 Mn0.128 O48 Si14.784 -","","","","Nestola, F.; Ballaran, T. B.; Balic-Zunic T; Secco, L.; Dal Negro, A.","The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene Sample: P = 9.562 GPa","American Mineralogist","2008","93","","644","652","10.2138/am.2008.2693","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:30",""
"9010610","14.0071","","12.5016","","14.503","","90","","90","","90","","2539.64","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H2 O10 S Sn6.54 -","- H2 O10 S Sn6.54 -","- H16 O80 S8 Sn52.32 -","8","1","","Locock, A. J.; Ramik, R. A.; Back, M. E.","The structures of two novel Sn2+ oxysalts found with romarchite and hydroromarchite as corrosion products of pewter artifacts","The Canadian Mineralogist","2006","44","","1457","1467","10.2113/gscanmin.44.6.1457","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010616","12.4595","","11.5955","","12.7504","","90","","90","","90","","1842.1","","","","","","","","","","","","Larsemann Hills, Prydz Bay, East Antarctica","7","P b c a","-P 2ac 2ab","61","","","Tassieite","- Ca2 Fe3.314 H4 Mg2.686 Na0.463 O26 P6 -","- Ca2 Fe3.314 H4 Mg2.686 Na0.463 O26 P6 -","- Ca8 Fe13.256 H16 Mg10.744 Na1.852 O104 P24 -","4","0.5","","Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M. G.; Carson, C. J.","Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new hydrothermal wicksite-group mineral in fluorapatite nodules from granulite- facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica Sample: 2","The Canadian Mineralogist","2007","45","","293","305","10.2113/gscanmin.45.2.293","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9010617","12.4595","","11.5955","","12.7504","","90","","90","","90","","1842.1","","","","","","","","","","","","Larsemann Hills, Prydz Bay, East Antarctica","7","P b c a","-P 2ac 2ab","61","","","Tassieite","- Ca2 Fe3.254 H4 Mg2.746 Na0.478 O26 P6 -","- Ca2 Fe3.254 H4 Mg2.746 Na0.478 O26 P6 -","- Ca8 Fe13.016 H16 Mg10.984 Na1.912 O104 P24 -","4","0.5","","Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M. G.; Carson, C. J.","Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new hydrothermal wicksite-group mineral in fluorapatite nodules from granulite- facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica Sample: 1","The Canadian Mineralogist","2007","45","","293","305","10.2113/gscanmin.45.2.293","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010721","36.34","","11.135","","5.499","","90","","90","","90","","2225.15","","","","","","","","","","","","Solongo, Siberia","4","P b c a","-P 2ac 2ab","61","","","Kurchatovite","- B2 Ca Mg O5 -","- B48 Ca24 Mg24 O120 -","- B48 Ca24 Mg24 O120 -","","","","Callegari, A.; Mazzi, F.; Tadini, C.","Modular aspects of the crystal structures of kurchatovite and clinokurchatovite Locality: Solongo, Siberia","European Journal of Mineralogy","2003","15","","277","282","10.1127/0935-1221/2003/0015-0277","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:51",""
"9010871","18.2113","","8.8172","","5.205","","90","","90","","90","","835.781","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","","","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX3","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:03",""
"9010872","18.2369","","8.8246","","5.2076","","90","","90","","90","","838.077","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","","","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX4","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:03",""
"9010873","18.2162","","8.8194","","5.2054","","90","","90","","90","","836.279","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.47 Li0.2 Mg1.33 O6 Si2 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","- Fe3.76 Li1.6 Mg10.64 O48 Si16 -","","","","Camara, F.; Iezzi, G.; Tiepolo, M.; Oberti, R.","The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene Sample: LMFPX5","Physics and Chemistry of Minerals","2006","33","","475","483","10.1007/s00269-006-0094-x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:05",""
"9010887","18.2429","","8.8171","","5.1894","","90","","90","","90","","834.712","","","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 20 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010888","18.4588","","8.9638","","5.2848","","90","","90","","90","","874.428","","","","1473.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,200 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010889","18.4517","","8.9612","","5.2797","","90","","90","","90","","872.995","","","","1448.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,175 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010890","18.445","","8.9589","","5.2749","","90","","90","","90","","871.661","","","","1423.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,150 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010891","18.4378","","8.9555","","5.2711","","90","","90","","90","","870.363","","","","1398.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,125 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010892","18.4314","","8.952","","5.2674","","90","","90","","90","","869.11","","","","1373.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,100 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010893","18.4244","","8.9481","","5.2639","","90","","90","","90","","867.824","","","","1348.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,075 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010894","18.4197","","8.9449","","5.2609","","90","","90","","90","","866.798","","","","1323.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,050 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010895","18.4125","","8.9408","","5.2577","","90","","90","","90","","865.536","","","","1298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,025 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010896","18.4047","","8.9366","","5.2543","","90","","90","","90","","864.203","","","","1273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 1,000 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010897","18.3995","","8.9329","","5.2519","","90","","90","","90","","863.207","","","","1248.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 975 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010898","18.2513","","8.8274","","5.1929","","90","","90","","90","","836.636","","","","423.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Enstatite","- Al0.03 Fe0.15 Mg1.82 O6 Si1.97 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","- Al0.24 Fe1.2 Mg14.56 O48 Si15.76 -","","","","Gatta, G. D.; Rinaldi, R.; Knight, K. S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in situ neutron powder diffraction study Sample: T = 150 C","Physics and Chemistry of Minerals","2007","34","","185","200","10.1007/s00269-006-0138-2","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:10",""
"9010973","9.34","","9.22","","10.61","","90","","90","","90","","913.678","","","","","","","","","","","","synthetic Ca2SiO3OHOH","3","P b c a","-P 2ac 2ab","61","","","Poldervaartite","- Ca2 O5 Si -","- Ca16 O40 Si8 -","- Ca16 O40 Si8 -","","","","Heller, L.","The structure of dicalcium silicate alpha-hydrate","Acta Crystallographica","1952","5","","724","728","10.1107/S0365110X52002033","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011017","8.4","","9.79","","18.93","","90","","90","","90","","1556.73","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mercallite","- H K O4 S -","- H K O4 S -","- H16 K16 O64 S16 -","16","2","","Loopstra, L. H.; MacGillavry, V. H.","The crystal structure of KHSO4 (mercallite)","Acta Crystallographica","1958","11","","349","354","10.1107/S0365110X58000943","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011045","10.36","","8.84","","10.19","","90","","90","","90","","933.225","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 In O6 P -","- H4 In O6 P -","- H32 In8 O48 P8 -","8","1","","Mooney-Slater R C L","X-ray diffraction study of indium phosphate dihydrate and isostructural thallic compounds","Acta Crystallographica","1961","14","","1140","1146","10.1107/S0365110X61003351","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011152","8.412","","9.8","","18.957","","90","","90","","90","","1562.77","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mercallite","- H K O4 S -","- H K O4 S -","- H16 K16 O64 S16 -","16","2","","Cotton, F. A.; Frenz, B. A.; Hunter, D. L.","The structure of potassium hydrogensulfate Note: y(O23), z(H1), x(H2) corrected","Acta Crystallographica, Section B","1975","31","","302","304","10.1107/S0567740875002580","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011157","10.95","","21.862","","10.95","","90","","90","","90","","2621.31","","","","","","","","","","","","Cornwall, England","3","P b c a","-P 2ac 2ab","61","","","Bornite","- Cu2.5 Fe0.5 S2 -","- Cu79.9997 Fe16.0003 S64 -","- Cu79.9997 Fe16.0003 S64 -","","","","Koto, K.; Morimoto, N.","Superstructure investigation of bornite, Cu5FeS4, by the modified partial Patterson function","Acta Crystallographica, Section B","1975","31","","2268","2273","10.1107/S0567740875007376","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011166","8.429","","9.807","","18.976","","90","","90","","90","","1568.62","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mercallite","- H K O4 S -","- H K O4 S -","- H16 K16 O64 S16 -","16","2","","Payan, F.; Haser, R.","On the hydrogen bonding in potassium hydrogen sulphate. Comparison with a previous crystal structure determination","Acta Crystallographica, Section B","1976","32","","1875","1879","10.1107/S0567740876006572","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:22",""
"9011179","16.872","","10.359","","6.599","","90","","90","","90","","1153.35","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Dorfmanite","- H5 Na2 O6 P -","- H5 Na2 O6 P -","- H40 Na16 O48 P8 -","8","1","","Catti, M.; Ferraris, G.; Franchini-Angela M","The crystal structure of Na2HPO4*2H2O. Competition between coordination and hydrogen bonds Locality: synthetic Note: displacement parameters from ICSD, Biso(H1) invented","Acta Crystallographica, Section B","1977","33","","3449","3452","10.1107/S0567740877011170","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011378","9.487","","9.179","","10.666","","90","","90","","90","","928.808","","","","","","","","","","","","synthetic Ca2SiO3OHOH","4","P b c a","-P 2ac 2ab","61","","","Poldervaartite","- Ca2 H2 O5 Si -","- Ca16 H16 O40 Si8 -","- Ca16 H16 O40 Si8 -","","","","Marsh, R. E.","A revised structure for alpha-dicalcium silicate hydrate","Acta Crystallographica, Section C","1994","50","","996","997","10.1107/S0108270194001721","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:23",""
"9011505","10.786","","35.389","","8.141","","90","","90","","90","","3107.47","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","Hutchinsonite","- As4.782 Pb S9 Sb0.218 Tl -","- As38.2536 Pb8 S72 Sb1.7464 Tl8 -","- As38.2536 Pb8 S72 Sb1.7464 Tl8 -","","","","Matsushita, Y.; Takeuchi, Y.","Refinement of the crystal structure of hutchinsonite, TlPbAs5S9","Zeitschrift fur Kristallographie","1994","209","","475","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011804","9.242","","23.05","","10.383","","90","","90","","90","","2211.87","","","","","","","","","","","","Leadhills-Wanlockhead orefield, Scotland","5","P b c a","-P 2ac 2ab","61","","","Macphersonite","- C2 H2 O12 Pb4 S -","- C2 H2 O12 Pb4 S -","- C16 H16 O96 Pb32 S8 -","8","1","","Steele, I. M.; Pluth, J. J.; Livingstone, A.","Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite Locality: Leadhills-Wanlockhead orefield, Scotland Note: space group changed from Pcab to Pbca","Mineralogical Magazine","1998","62","","451","459","10.1180/002646198547828","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011832","9.249","","9.076","","10.342","","90","","90","","90","","868.148","","","","","","","","","","","","N'Chwaning II mine, Republic of South Africa","6","P b c a","-P 2ac 2ab","61","","","Olmiite","- Ca1.14 Fe0.01 H2 Mn0.84 O5 Si -","- Ca9.12 Fe0.08 H16 Mn6.72 O40 Si8 -","- Ca9.12 Fe0.08 H16 Mn6.72 O40 Si8 -","","","","Bonazzi, P.; Bindi, L.; Medenbach, O.; Pagano, R.; Lampronti, G. I.; Menchetti, S.","Olmiite, CaMn[SiO3(OH)](OH), the Mn-dominant analogue of poldervaartite, a new mineral species from Kalahari manganese fields (Republic of South Africa)","Mineralogical Magazine","2007","71","","193","201","10.1180/minmag.2007.071.2.193","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9012212","8.842","","10.187","","10.327","","90","","90","","90","","930.189","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 In O6 P -","- H32 In8 O48 P8 -","- H32 In8 O48 P8 -","","","","Xu, Y.; Koh, L. L.; An, L. H.; Xu, R. R.; Qiu, S. L.","A comparative study of a novel microporous indiumphosphate and other M(III)X(V)O4-type microporous materials","Journal of Solid State Chemistry","1995","117","","373","378","10.1006/jssc.1995.1287","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43",""
"9012373","6.2545","","9.8995","","9.627","","90","","90","","90","","596.069","","","","1.5","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Marokite","- Ca Mn2 O4 -","- Ca8 Mn16 O32 -","- Ca8 Mn16 O32 -","","","","Zouari, S.; Ranno, L.; Cheikh-Rouhou A; Isnard, O.; Pernet, M.; Wolfers, P.; Strobel, P.","New model for the magnetic structure of the marokite-type oxide CaMn2O4 Note: reported bond lengths are inconsistent with reported structure Sample: T = 1.5 K","Journal of Alloys and Compounds","2003","353","","5","11","10.1016/S0925-8388(02)01302-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012410","5.77","","5.838","","11.419","","90","","90","","90","","384.652","","","","","","","","","","","","Synthetic","2","P b c a","-P 2ac 2ab","61","","","Pararammelsbergite","- As2 Ni -","- As16 Ni8 -","- As16 Ni8 -","","","","Stassen, W. N.; Heyding, R. D.","Crystal structures of RuSe2, OsSe2, PtAs2, and alpha-NiAs2","Canadian Journal of Chemistry","1968","46","","2159","2163","10.1139/v68-351","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9014107","16.295","","13.009","","8.434","","90","","90","","90","","1787.85","","","","","","","","","","","","Mejillones, Antofagasta, Chile","5","P b c a","-P 2ac 2ab","61","","","Mejillonesite","- H7 Mg2 Na O11 P2 -","- H7 Mg2 Na O11 P2 -","- H56 Mg16 Na8 O88 P16 -","8","1","","Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G.","Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile","American Mineralogist","2012","97","","19","25","10.2138/am.2012.3867","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9014117","18.21","","8.82","","5.1767","","90","","90","","90","","831.441","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014308","10.875","","10.859","","15.105","","90","","90","","90","","1783.77","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Al6 Ca8.5 Na O18 -","- Al24 Ca34 Na4 O72 -","- Al24 Ca34 Na4 O72 -","","","","Nishi, F.; Takeuchi, Y.","The Al6O18 rings of tetrahedra in the structure of Ca8.5NaAl6O18","Acta Crystallographica, Section B","1975","31","","1169","1173","10.1107/S0567740875004736","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014447","17.916","","8.59","","5.0726","","90","","90","","90","","780.665","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014505","9.781","","9.778","","9.815","","90","","90","","90","","938.693","","","","","","","","","","","","Allende, Chihuahua, Mexico","2","P b c a","-P 2ac 2ab","61","","","Panguite","- O3 Ti1.67 -","- O48 Ti26.72 -","- O48 Ti26.72 -","","","","Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W.","Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD","American Mineralogist","2012","97","","1219","1225","10.2138/am.2012.4027","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014535","17.982","","8.633","","5.0926","","90","","90","","90","","790.568","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014644","9.762","","12.201","","4.43","","90","","90","","90","","527.64","","","","","","","","","","","","Anjanabonoina mine, Madagascar","5","P b c a","-P 2ac 2ab","61","","","Hambergite","- B Be2 F0.04 H0.96 O3.96 -","- B8 Be16 F0.32 H7.68 O31.68 -","- B8 Be16 F0.32 H7.68 O31.68 -","","","","Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F.","A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)","American Mineralogist","2012","97","","1891","1897","10.2138/am.2012.4232","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014665","10.215","","10.681","","10.014","","90","","90","","90","","1092.59","","","","","","","","","","","","Skipton Caves, Victoria, Australia","4","P b c a","-P 2ac 2ab","61","","","Newberyite","- H7 Mg O7 P -","- H7 Mg O7 P -","- H56 Mg8 O56 P8 -","8","1","","Sutor, D. J.","The crystal and molecular structure of newberyite, MgHPO4*3H2O","Acta Crystallographica","1967","23","","418","422","10.1107/S0365110X67002889","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014860","18.158","","8.78","","5.1574","","90","","90","","90","","822.23","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 1.23(4) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014942","6.036","","4.8684","","6.8788","","90","","90","","90","","202.138","","","","","","","","","","","","Synthetic","2","P b c a","-P 2ac 2ab","61","","","","- Ni P -","- Ni8 P8 -","- Ni8 P8 -","","","","Dera, P.; Lazarz, J. D.; Lavina, B.","Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 1.29 GPa","Journal of Solid State Chemistry","2011","184","","1997","2003","10.1016/j.jssc.2011.05.050","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014983","17.933","","8.595","","5.0766","","90","","90","","90","","782.477","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015441","6.8064","","9.2567","","17.732","","90","","90","","90","","1117.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- N O6 P V -","- N8 O48 P8 V8 -","- N8 O48 P8 V8 -","","","","Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.","Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080","European Journal of Solid State and Inorganic Chemistry","1988","25","","599","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015700","15.207","","15.207","","10.114","","90","","90","","90","","2338.89","","","","","","","","","","","","Rocca Castellaccio, Val Malenco, Sondrio, Italy","4","P b c a","-P 2ac 2ab","61","","","Calzirtite","- Ca2 O16 Ti2 Zr5 -","- Ca16 O128 Ti16 Zr40 -","- Ca16 O128 Ti16 Zr40 -","","","","Callegari, A.; Mazzi, F.; Ungaretti, P.","The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2","Neues Jahrbuch fur Mineralogie, Monatshefte","1997","1997","","467","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015809","18.204","","8.81","","5.1731","","90","","90","","90","","829.648","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016052","18.056","","8.692","","5.1192","","90","","90","","90","","803.421","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016153","18.105","","8.734","","5.1376","","90","","90","","90","","812.404","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 2.69(5) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016197","6.8182","","9.291","","17.631","","90","","90","","90","","1116.89","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- O6 P Rb V -","- O48 P8 Rb8 V8 -","- O48 P8 Rb8 V8 -","","","","Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.","Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081","European Journal of Solid State and Inorganic Chemistry","1988","25","","599","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016257","18.019","","8.668","","5.1073","","90","","90","","90","","797.703","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016265","17.897","","8.575","","5.0664","","90","","90","","90","","777.524","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Enstatite","- Mg O3 Si -","- Mg16 O48 Si16 -","- Mg16 O48 Si16 -","","","","Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.","Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa","American Mineralogist","2012","97","","1741","1748","10.2138/am.2012.4157","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016572","17.868","","8.491","","5.0565","","90","","90","","90","","767.158","","","","","","","","","","","","San Carlos, Arizona, USA","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.087 Mg0.913 O3 Si -","- Fe1.392 Mg14.608 O48 Si16 -","- Fe1.392 Mg14.608 O48 Si16 -","","","","Zhang, J. S.; Dera, P.; Bass, J. D.","A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa","American Mineralogist","2012","97","","1070","1074","10.2138/am.2012.4072","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016942","18.281","","8.8732","","5.207","","90","","90","","90","","844.633","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.292 Mg0.709 O3 Si -","- Fe4.664 Mg11.336 O48 Si16 -","- Fe4.664 Mg11.336 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016943","18.3022","","8.8816","","5.2082","","90","","90","","90","","846.608","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.296 Mg0.704 O3 Si -","- Fe4.744 Mg11.256 O48 Si16 -","- Fe4.744 Mg11.256 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016944","18.281","","8.8732","","5.207","","90","","90","","90","","844.633","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.292 Mg0.709 O3 Si -","- Fe4.664 Mg11.336 O48 Si16 -","- Fe4.664 Mg11.336 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016945","18.3022","","8.8816","","5.2082","","90","","90","","90","","846.608","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.296 Mg0.704 O3 Si -","- Fe4.744 Mg11.256 O48 Si16 -","- Fe4.744 Mg11.256 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9017370","7.188","","6.225","","11.976","","90","","90","","90","","535.87","","","","","","","","","","","","Synthetic","3","P b c a","-P 2ac 2ab","61","","","Zincomenite","- O3 Se Zn -","- O24 Se8 Zn8 -","- O24 Se8 Zn8 -","","","","Bensch, W.; Gunther, J. R.","The crystal structure of beta-zinc selenite","Zeitschrift fur Kristallographie","1986","174","","291","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""